Updated on 2025/06/20

写真a

 
TSURUTA Kenji
 
Organization
Faculty of Environmental, Life, Natural Science and Technology Professor
Position
Professor
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Degree

  • Doctor of Science ( 1994.3   The University of Tokyo )

  • Master of Science ( 1991.3   The University of Tokyo )

Research Interests

  • Device Physics

  • Nanomateirlals/Nanodevices

  • Multiscale Simulation

  • Topological Phononics

  • Metamaterial

Research Areas

  • Manufacturing Technology (Mechanical Engineering, Electrical and Electronic Engineering, Chemical Engineering) / Electric and electronic materials

  • Nanotechnology/Materials / Nano/micro-systems

  • Nanotechnology/Materials / Nanomaterials

  • Nanotechnology/Materials / Nanostructural physics

  • Nanotechnology/Materials / Applied condensed matter physics

Education

  • The University of Tokyo   理学系研究科   物理学

    - 1994

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    Country: Japan

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  • The University of Tokyo    

    - 1994

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Research History

  • Okayama University   Faculty of Environmental, Life, Natudal Science and Technology   Professor

    2023.4

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  • Kyoto University   Research Base on "Elements Strategy Initiative for Structural Materials"   Project Professor

    2014 - 2022.3

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  • Okayama University   Graduate School of Natural Science and Technology   Professor

    2011.4 - 2023.3

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  • Kumamoto University   Graduate School of Science and Technology   Visiting Professor

    2011 - 2012

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  • Niigata University   Graduate School of Science and Technology   Visiting Associate Professor

    2008 - 2011

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  • Okayama University   Graduate School of Natural Science and Technology   Associate Professor

    2007 - 2011

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  • Okayama University   Graduate School of Natural Science and Technology   Associate Professor

    2005 - 2007

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  • Okayama University   Faculty of Engineering   Associate Professor

    2001 - 2005

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  • Okayama University   Faculty of Engineering   Senior Assistant Professor

    1998 - 2001

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  • Louisiana State University   Department of Physics and Astronomy, Concurrent Computing Laboratory for Materials SImulation   Posctodoctoral Research Associate

    1994.11 - 1998.3

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    Country:United States

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  • Louisiana State University (U.S.A.)   Department of Physics and Astronomy   Researcher

    1994.11 - 1998.3

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    Country:United States

  • Japan Society for Promotion of Science   Posctodoctoral Researcher

    1993.4 - 1994.10

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  • University of California at San Diego   Department of Physics   Visiting Researcher

    1989 - 1990

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    Country:United States

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Professional Memberships

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Papers

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Books

  • 工学系の微分方程式(第8刷)

    岡山大学出版会  2020 

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    Language:Japanese Book type:Textbook, survey, introduction

  • 工学系の微分方程式(第7刷)

    岡山大学出版会  2019 

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    Language:Japanese Book type:Textbook, survey, introduction

  • 工学系の微分方程式(第6刷)

    岡山大学出版会  2018 

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  • Differential Equation for Engineering

    Okayama University Press  2018 

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  • 工学系の微分方程式(第5刷)

    岡山大学出版会  2017 

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  • Differential Equation for Engineering

    Okayama University Press  2017 

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  • Differential Equation for Engineering

    Okayama University Press  2013 

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  • 工学系の微分方程式

    岡山大学出版会  2013 

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  • 機能性微粒子とナノマテリアルの開発

    フロンティア出版  2004 

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  • NON-NEUTRAL PLASMA PHYSICS IV, (Proceedings of the Workshop on Non-Neutral Plasmas, San Diego, California 2001)

    AIP  2002 

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  • Inertial Fusion Sciences and Applications 2001, (Proceedings of the 2nd international conference on Inertial Fusion and Sciences and Applications (IFSA2001)

    Elsevier  2002 

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  • チェイキン&ルベンスキー現代の凝縮系物理学(下)

    吉岡書店  2000 

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  • チェイキン&ルベンスキー現代の凝縮系物理学(上)

    吉岡書店  2000 

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  • Frontiers in Dusty Plasmas, Proceedings of the 2nd International Conference on the Physics of Dusty Plasmas (ICPDP-99)

    Elsevier  2000 

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  • Non-Neutral Physics III

    American Institute of Physics  1999 

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  • Proceedings of international conference on “Computer-Aided Design of High-Temperature Materials”

    Oxford Press  1999 

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MISC

  • Robust and Reconfigurable Waveguide Design in Valley-Topological Phononic Crystals Reviewed

    Md. Shuzon Ali, Yusuke Hata, Motoki Kataoka, Masaaki Misawa, Kenji Tsuruta

    International Conference on Processing and Manufacturing of Advanced Materials Processing, Fabrication, Properties, Applications - THERMEC 2023   12   888 - 894   2023.12

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    Language:English   Publishing type:Article, review, commentary, editorial, etc. (international conference proceedings)   Publisher:Trans Tech Publications Ltd  

    DOI: 10.4028/b-xqow8b

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  • Optical-Property Prediction of Digital Metamaterials with Reservoir Computing

    目黒智也, 佐藤郷介, 三澤賢明, 藤森和博, 鶴田健二

    電気・情報関連学会中国支部連合大会講演論文集(CD-ROM)   72nd   2021

  • フォノニック結晶中の超音波伝搬と光学的可視化評価 (超音波)

    真鍋 健輔, 石川 篤, 神田 岳文, 鶴田 健二

    電子情報通信学会技術研究報告 = IEICE technical report : 信学技報   117 ( 155 )   67 - 69   2017.7

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  • 超音波・弾性波の非相反伝搬機構の設計 Invited

    鶴田 健二

    超音波TECHNO   29 ( 6 )   70 - 73   2017.6

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    Language:Japanese   Publishing type:Article, review, commentary, editorial, etc. (trade magazine, newspaper, online media)  

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  • メタ表面構造を用いた吸音およびエナジーハーべスティングデバイスの設計 (超音波)

    小林 祐太, 石川 篤, 鶴田 健二

    電子情報通信学会技術研究報告 = IEICE technical report : 信学技報   116 ( 169 )   15 - 17   2016.7

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  • 1P1-8 Rectification of Lamb wave propagation in thin plates with piezo-dielectric periodic structures

    Iwasaki Yuhei, Tsuruta Kenji, Ishikawa Atsushi

    Proceedings of Symposium on Ultrasonic Electronics   36   "1P1 - 8-1"-"1P1-8-2"   2015.11

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    Language:English   Publisher:Steering committee of symposium on ultrasonic electronics  

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  • 3P1-7 Design of Acoustic Metasurface toward a Perfect Absorber

    Kobayashi Yuta, Tsuruta Kenji, Ishikawa Atsushi

    Proceedings of Symposium on Ultrasonic Electronics   36   "3P1 - 7-1"-"3P1-7-2"   2015.11

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    Language:English   Publisher:Steering committee of symposium on ultrasonic electronics  

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  • 302 Molecular dynamics analysis on graphite/resin interface modification

    YONEI Ryota, TSURUTA Kenji, ISHIKAWA Atsushi

    The Computational Mechanics Conference   2015 ( 28 )   "302 - 1"-"302-2"   2015.10

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    Language:Japanese   Publisher:The Japan Society of Mechanical Engineers  

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  • 301 Design of Acoustic Metasurface toward a Perfect Sound Absorber

    Kobayashi Yuta, Tsuruta Kenji, Ishikawa Atsushi

    The Computational Mechanics Conference   2015 ( 28 )   "301 - 1"-"301-2"   2015.10

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    Language:Japanese   Publisher:The Japan Society of Mechanical Engineers  

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  • グラフェンプラズモニクス

    月刊OPTRONICS   34 ( 12 )   75 - 80   2015

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  • 2P1-9 Design and visualization of ultrasonic wave in phononic structure for efficient energy transmission(Poster Session)

    Tsubouchi Kazuya, Ishikawa Atsushi, Fujimori Kazuhiro, Tsuruta Kenji

    Proceedings of Symposium on Ultrasonic Electronics   35   225 - 226   2014.12

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    Language:English   Publisher:Steering committee of symposium on ultrasonic electronics  

    In this paper, we discussed the design of the ultrasonic WPT system, consisting of impedance-matched transducers, phononic-crystal structure, and the Schlieren optical measurement system. The transducers we designed show 60% energy-transmission efficiency at 1.2MHz. The phononic structure is designed via phonon-band analysis and fabricated by using 3D printer for controlling ultrasonic wave. The Schlieren optical measurement system is also designed for analyzing actual wave propagation in water at MHz regime without disturbing the wave propagation.

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  • Acoustic Wave on Piezoelectric Semiconductor Film via Large-scale Molecular Dynamics Analysis

    Hikata Ryo, Tsuruta Kenji, Ishikawa Atsushi

    The Computational Mechanics Conference   2014 ( 27 )   318 - 319   2014.11

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    Language:Japanese   Publisher:The Japan Society of Mechanical Engineers  

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  • Terahertz Wave Response of Graphene Periodic Structure using FDTD Method

    Yatooshi Takumi, Ishikawa Atsushi, Tsuruta Kenji

    The Computational Mechanics Conference   2014 ( 27 )   323 - 324   2014.11

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  • 酸素ポテンシャル勾配下におけるアルミナ粒界拡散に関する理論解析

    小川貴史, 桑原彰秀, CRAIG Fisher, 森分博紀, 北岡諭, 松永克志, 鶴田健二

    日本金属学会講演概要(CD-ROM)   154th   2014

  • オーバーサイズ円形導波路内における超音波無線電力伝送

    田所正昭, 坪内和也, 藤森和博, 鶴田健二, 深野秀樹

    応用物理学会秋季学術講演会講演予稿集(CD-ROM)   75th   2014

  • 樹脂製フォノニック結晶による超音波エネルギー輸送・収穫:負の屈折と音響レンズ効果

    田所正昭, 高見裕文, 羽井佐浩気, 鶴田健二, 藤森和博, 深野秀樹

    応用物理学会春季学術講演会講演予稿集(CD-ROM)   61st   2014

  • 2420 Effect of Dopant Segregation into Dislocation Core in Alumina : A Hybrid Quantum/Classical Molecular Dynamics

    Asano Tatsunao, Takata Kazuaki, Tsuruta Kenji, Fujimori Kazuhiro

    The Computational Mechanics Conference   2013 ( 26 )   "2420 - 1"-"2420-2"   2013.11

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  • 2414 Local Electronic States in CNT/GaAs Hetero Solar Cell :An Ab-initio Study

    ITAMI Masahiko, TSURUTA Kenji

    The Computational Mechanics Conference   2013 ( 26 )   "2414 - 1"-"2414-2"   2013.11

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  • 28pXZB-4 Effect of Dopant Segregation into Dislocation Core in Alumina : A Hybrid Quantum/Classical Molecular Dynamics Analysis

    Takata K., Tsuruta K., Fujimori K.

    Meeting abstracts of the Physical Society of Japan   68 ( 1 )   1045 - 1045   2013.3

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  • 27aXK-5 First-principles Calculation of Electronic States in Carbon Nanotube/GaAs Interface : Carrier Transfer and Impurity Effects

    Itami M., Tsuruta K., Fujimori K., Fukano H.

    Meeting abstracts of the Physical Society of Japan   68 ( 1 )   985 - 985   2013.3

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    Language:Japanese   Publisher:The Physical Society of Japan (JPS)  

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  • B-1-15 A Consideration about Influence of Capacitance of Diode under the State of Rectifying Operation at Microwave Frequency

    Taniguchi Mamoru, Wagi Teruhiko, Fujimori Kazuhiro, Tsuruta Kenji

    Proceedings of the IEICE General Conference   2013 ( 1 )   15 - 15   2013.3

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    Language:Japanese   Publisher:The Institute of Electronics, Information and Communication Engineers  

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  • B-1-26 A Fundamental Investigation of Operating Condition for Highly Efficient RF-DC Conversion Circuit by Using Genetic Algorithm

    Ota Kosuke, Kondo Yoshihiro, Fujimori Kazuhiro, Tsuruta Kenji

    Proceedings of the IEICE General Conference   2013 ( 1 )   26 - 26   2013.3

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  • 第一原理計算に基づくアルミナ粒界における空孔形成と拡散挙動の解析

    小川貴史, 桑原彰秀, FISHER Craig A. J., 森分博紀, 松永克志, 鶴田健二, 北岡諭

    日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   26th   2013

  • CNT/GaAsヘテロ太陽電池の第一原理電子状態解析

    伊丹雅彦, 鶴田健二, 藤森和博, 深野秀樹

    日本機械学会計算力学講演会論文集(CD-ROM)   26th   2013

  • アルミナ結晶中のらせん転位近傍への不純物偏析:ハイブリッド量子/古典分子動力学解析

    浅野立直, 高田和明, 鶴田健二, 藤森和博

    日本機械学会計算力学講演会論文集(CD-ROM)   26th   2013

  • フォノニック結晶レンズのFDTD解析と超音波実験

    田所正昭, 羽井佐浩気, 管野祐輔, 藤森和博, 鶴田健二, 深野秀樹

    日本機械学会計算力学講演会論文集(CD-ROM)   26th   2013

  • 1602 Design of High-Efficiency/Wideband Transducer for Ultrasonic Wireless Power Transmission System

    TOMINAGA Shota, TANDA Koichiro, FUJIMORI Kazuhiro, TSURUTA Kenji, NOGI Sigeji

    The Computational Mechanics Conference   2012 ( 25 )   612 - 613   2012.10

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  • 2102 Large Scale Molecular Dynamics Analysis on Stability of Screw Dislocation in Alumina

    Takata Kazuaki, Tsuruta Kenji, Fujimori Kazuhiro

    The Computational Mechanics Conference   2012 ( 25 )   174 - 175   2012.10

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    Using large-scale molecular dynamics simulation, we investigate the stability of screw dislocation in α-alumina. Energies of perfect and partial screw dislocations in α-alumina crystal are compared at several temperatures. In the case of screw dislocation results reveal that perfect dislocation in alumina is more stable than partial dislocations. This result is consistent with the experimental observations in that the screw dislocation in alumina is stable against dissociation into partials. We also evaluate the temperature dependence of rigidity modulus of alumina from the stress-distribution calculations.

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  • 2106 Hybrid MC/MD simulation of grain boundary segregation in semiconductor/ceramic materials

    SUGAHARA Kazuhito, TAKATA Kazuaki, TSURUTA Kenji, FUJIMORI Kazuhiro

    The Computational Mechanics Conference   2012 ( 25 )   182 - 183   2012.10

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    We demonstrate the effectiveness of a hybrid Monte Carlo (MC)/molecular dynamics (MD) method in analysis of grain-boundary segregation, a long-time phenomenon from the atomistic-simulation point of view. The Σ9 coincidence grain boundary of Si crystal is adopted as a testbed for the method. We find an efficient sampling of hopping diffusion of a vacancy in the system can be achieved, while the internal energy evaluated from the MD runs at the same temperature as the MC simulation includes the structural relaxation of the system at the temperature.

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  • 2113 Electronic states and transport properties in carbon nanotube/GaAs interface using first-principles calculation

    ITAMI Masahiko, TSURUTA Kenji, Fujimori Kazuhiro

    The Computational Mechanics Conference   2012 ( 25 )   198 - 199   2012.10

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  • B-9-2 Comparison of the conversion efficiency in a series type and a shunt type RF-DC conversion circuit

    Ota Kosuke, Wagi Teruhiko, Fujimori Kazuhiro, Tsuruta Kenji

    Proceedings of the IEICE General Conference   2012 ( 2 )   312 - 312   2012.3

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  • C-11-1 Structure and Electronic State on Dislocations in 4H-SiC : Tight-binding and First-principles Simulations

    Morisada Tomofumi, Hamasaki Fusanori, Tsuruta Kenji

    Proceedings of the IEICE General Conference   2012 ( 2 )   70 - 70   2012.3

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  • BCS-1-1 Characteristics of a RF-DC Conversion Circuit using a GaN Diode for Microwave Rectification

    WAGI Teruhiko, TAMARU Shoichi, FUJIMORI Kazuhiro, TSURUTA Kenji, NOGI Shigeji, OZAWA Yuichiro, FURUKAWA Minoru, FUJIWARA Teruo

    Proceedings of the IEICE General Conference   2012 ( 1 )   "S - 57"-"S-58"   2012.3

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  • CS-6-5 An Automatic Design for The RF-DC Conversion Circuit by using Genetic Algorithm

    Kondo Yoshihiro, Fujimori Kazuhiro, Tsuruta Kenji

    Proceedings of the IEICE General Conference   2012 ( 1 )   "S - 23"-"S-24"   2012.3

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  • The Conversion efficiency analysis of a shunt form RF-DC conversion circuit with the equivalent circuit parameter of a diode

    WAGI Teruhiko, TAMARU Shoichi, KONDO Yoshihoiro, FUJIMORI Kazuhiro, TSURUTA Kenji

    111 ( 412 )   201 - 206   2012.1

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    The device called Rectenna as an antenna for Receive Antenna of radio electric power transmission is used. The RF-DC conversion circuit of high conversion efficiency which is a component of Rectenna cause wireless power transimission of high transmission efficiency. In this paper, The conversion efficiency analysis of RF-DC conversion circuit in change of component oh the diode are investigated to clarify the characteristic of the diode for obtaining highly efficiency conversion circuit.

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  • 超音波無線電力伝送のための高効率なトランスデューサの設計と開発

    堀 祐貴, 藤森和博, 鶴田健二, 野木茂次

    電気学会論文誌C   132 ( 3 )   337 - 343   2012

  • Design and Development of Highly Efficient Transducer for Ultrasonic Wireless Power Transmission System

    Yuki Hori, Kazuhiro Fujimori, Kenji Tsuruta, Shigeji Nogi

    IEEJ Trans. Electronics, Information and Systems   132 ( 3 )   337 - 343   2012

  • Optically-powered voltage-supply-device for effective utilization of optical energy in the fiber-to-the-home network

    Hideki Fukano, Takeshi Shinagawa, Kenji Tsuruta

    IEEJ Transactions on Electronics, Information and Systems   132 ( 4 )   495 - 499   2012

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    Language:English   Publisher:Institute of Electrical Engineers of Japan  

    DOI: 10.1541/ieejeiss.132.495

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  • Optically-powered voltage-supply-device for effective utilization of optical energy in the fiber-to-the-home network

    Hideki Fukano, Takeshi Shinagawa, Kenji Tsuruta

    IEEJ Transactions on Electronics, Information and Systems   132 ( 4 )   495 - 499   2012

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    Language:English   Publisher:Institute of Electrical Engineers of Japan  

    DOI: 10.1541/ieejeiss.132.495

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  • 機能元素解析のための大規模有限温度分子動力学シミュレーション

    セラミックス   47 ( 7 )   489 - 493   2012

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  • Large-scale Molecular Dynamics on Screw Dislocation in Alumina

    Kazuaki Takata, Akihiro Hayashi, Kenji Tsuruta

    AMTC Letters   3   132 - 133   2012

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  • Phononic-crystal acoustic lens by design for energy-transmission devices

    Yusuke Kanno, Kenji Tsuruta, Kazuhiro Fujimori, Hideki Fukano, Shigeji Nogi

    IEEJ Transactions on Electronics, Information and Systems   132 ( 5 )   686 - 690   2012

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    DOI: 10.1541/ieejeiss.132.686

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  • 1502 Ab Initio Simulation for Structure and Optical Response of Gemini-HBC

    Shimizu Tatsuki, Tsuruta Kenji, Fukano Hideki

    The Computational Mechanics Conference   2011 ( 24 )   471 - 473   2011.10

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    Language:Japanese   Publisher:The Japan Society of Mechanical Engineers  

    A graphite nanotube is composed of Gemini type hexabenzocoronene (Gemini-HBC) as the hole-transport layer and the fullerene as the electron-transport layer. We study the doping effect on the electronic properties of Gemini-HBC to make the absorption peak broader, expecting to cover an unharvested energy resource. Here we assume that structure of doped Gemini-HBC is well represented by substituting dopant atom to one of carbon sites. Calculations of the energy and absorption spectrum are performed by the ab-initio computational method. As a result, the absorption peak of the Gemini-HBC is about 0.5μm, whereas the first and second peaks for doped Gemini-HBC are also approximately 0.5μm. In addition, the absorption spectrum of F-doped Gemini-HBC has an additional peak around 0.95μm, implying the sunlight with the longer wavelength may be absorbed.

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  • 1508 Diffusion barrier of Li in carbon-based anode material in Li-ion secondary battery via ab-initio and hybrid quantum/classical molecular-dynamics method

    INAGAKI Yosuke, TSURUTA Kenji

    The Computational Mechanics Conference   2011 ( 24 )   485 - 486   2011.10

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    Lithium ion battery (LiB) is widely used in portable electronic devices, such as cellular phones and laptop computers. Recently, needs for higher efficiency of the battery has been increasing rapidly due to the demand for electric and hybrid electric vehicle. At present, anode of LiB is mainly made of graphite. Recently, graphene has been attracting more attention as an alternative anode material. The effect of impurity doping to graphene has also been investigated recently. To optimize the materials combination for the anode applications microscopic mechanisms of such enhancement of electric capacity in LiB have to be identified. Using an ab-initio computational method, based on the density-functional theory, and its hybridized method with the classical molecular dynamics, we investigate dynamical behavior, such as diffusion processes, of Li atom in the carbon based materials with pristine, defected, and doped graphene.

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  • 1503 Large Scale Molecular Dynamics Analysis on Vacancy Interaction in Si Crystal

    TAKATA Kazuaki, TSURUTA Kenji

    The Computational Mechanics Conference   2011 ( 24 )   474 - 475   2011.10

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    Vacancy interaction in Si crystal is studied by molecular-dynamics simulations. Using tight-binding molecular dynamics and classical molecular dynamics methods, we calculate an effective interaction potential of Si vacancy pair in bulk and in a thin slab at several temperatures. In the case of vacancy pair in bulk crystal, results reveal that there is an effective "capture radius" of the vacancies at around 8 Åat 300K and 13 Å at 600K and 1000K. Stable structure and electronic states around the vacancies in Si slab near the surface are qualitatively different from their bulk properties, reflecting a proximity surface electronic state. Results of diffusion behavior and interaction potential of the vacancy pair in the slab at finite temperatures are also reported.

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  • 22aGQ-10 Molecular Dynamics Analysis on Vacancy Interaction near Surface and Interface in Si Crystal

    Takata K., Tsuruta K., Ogawa T., Iyetomi H.

    Meeting abstracts of the Physical Society of Japan   66 ( 2 )   981 - 981   2011.8

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  • 27pTJ-10 Analyses on spin-orbit coupling effects of a silicon single vacancy via DFT calculations

    Ogawa Takafumi, Tsuruta Kenji, Iyetomi Hiroshi, Nemoto Yuichi, Yamada-Kaneta Hiroshi, Goto Terutaka

    Meeting abstracts of the Physical Society of Japan   66 ( 1 )   979 - 979   2011.3

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  • フォノニック結晶による超音波の音響レンズ効果とエネルギー輸送効率

    菅野祐輔, 笠井祐樹, 鶴田健二, 藤森和博, 深野秀樹, 野木茂次

    日本機械学会計算力学講演会論文集(CD-ROM)   24th   2011

  • 半導体結晶表面における弾性波伝搬の大規模分子動力学シミュレーション

    藥師川裕貴, 鶴田健二, 藤森和博

    日本機械学会計算力学講演会論文集(CD-ROM)   24th   2011

  • 26aWZ-12 Analyses localized electron orbitals around a silicon single vacallcy via DFT calculations

    Ogawa Takafumi, Tsuruta Kenji, Iyetomi Hiroshi, Nemoto Yuichi, Yamada-Kaneta Hiroshi, Goto Terutaka

    Meeting abstracts of the Physical Society of Japan   65 ( 2 )   928 - 928   2010.8

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  • 20aHT-10 Multiscale Analysis on Impurity Segregation to Dislocation in Alumina

    Tsuruta K., Koyama T., Ogata S., Hyodo S.

    Meeting abstracts of the Physical Society of Japan   65 ( 1 )   971 - 971   2010.3

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  • Parallel FDTD simulations on optical and acoustic metamaterials

    Kenji Tsuruta, Shinji Nagai, Ryosuke Umeda, Tomoyuki Kurose, Noriaki Maetani

    Materials Research Society Symposium Proceedings   1223   1223-EE06   2010

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  • Ab Initio Simulation for Structure and Optical Response of Gemini-HBC

    Tatsuki Shimizu, Kenji Tsuruta

    447 - 450   2010

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  • 108 Hybrid Quantum/Classical Molecular-Dynamics Study on Dislocation Motion and Nanodopant Effects in Alumina

    TSURUTA Kenji, HAYASHI Akihiro, KOYAMA Toshiyuki, OGATA Shuji, HYODO Shiaki

    The Computational Mechanics Conference   2009 ( 22 )   390 - 391   2009.10

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    We perform molecular-dynamics simulations to investigate the atomic and electronic structures of a basal edge dislocation in α-Al_2O_3. Inter-core interactions between a dissociated partial pair are evaluated by a million-atom classical molecular dynamics. The interactions consists of a short-ranged repulsion due to the elastic interaction between two singular points and a long-ranged attraction due to the stacking-fault formed between the two partials. The atomic rearrangements in the full and in the partial dislocation cores are analyzed by a hybrid quantum/classical molecular dynamics method. The local electronic structure in the dislocation core is evaluated by the density-functional method applied for a quantum-cluster region in the hybrid simulation. Effects of a doped Si atom segregated to the dislocation core are also analyzed.

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  • 1701 An FDTD Analysis of Light Confined Structure by Electromagnetic Metamaterials

    NAGAI Shinji, TSURUTA Kenji, TOTSUJI Chieko

    The Computational Mechanics Conference   2009 ( 22 )   452 - 453   2009.10

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    Using the two dimensional Finite Difference Time Domain method, we demonstrate a light-confinement phenomenon by a structure composed of a negative-refractive-indexed (NRI) material. The structure, consisting of triangular lattice of mediums with a NRI and a normal material, is designed to confine an incident light by peculiar refractions at the materials boundaries. To model realistically the NRI material, we introduce the Drude-Lorentz model for the dielectric response at optical frequencies. The effects of dielectric loss in the NRI medium on the confinement efficiency of the proposed structure is reported.

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  • 1706 Numerical Simulation of Acoustic Wave in a Two-Dimensional Phononic Crystal : Negative Refraction and Lens Effect

    MAETANI Noriaki, TSURUTA Kenji, TOTSUJI Chieko

    The Computational Mechanics Conference   2009 ( 22 )   462 - 463   2009.10

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    Lens effect of acoustic waves in a two-dimensional (2D) phononic crystal is studied by numerical simulation based on the finite-difference time-domain (FDTD) method. We calculate the phonon band structure of 2D phononic crystals, consisting of metal cylinders placed periodically in water. Lens effect is observed by the negative refraction of acoustic waves, which results in acoustic waves refocused at the point outside the crystal. To increase the focal intensity, we introduce a 2D phononic crystal shield with a different composition of material, which reflects incident acoustic waves from the source. We show how the focal intensity is improved by using the 2D phononic crystal shield.

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  • 25aPS-131 Analysis of Defect Orbital by Ab-initio Simulations and Elastic Softening in Silicon

    Ogawa T., Tsuruta K., Iyetomi H., Goto T., Yamada-Kaneta H.

    Meeting abstracts of the Physical Society of Japan   64 ( 2 )   446 - 446   2009.8

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  • 30aSK-11 Transfer of quantum information and creation of entanglement by coupled spin chains

    Chai H., Totsuji H., Totsuji C., Tsuruta K.

    Meeting abstracts of the Physical Society of Japan   64 ( 1 )   182 - 182   2009.3

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  • 27aRB-11 Strain field and elastic properties of vacancy in silicon : Classical and tight-binding molecular dynamics simulations

    Ogawa T., Tsuruta K., Iyetomi H., Goto T., Yamada-Kaneta H.

    Meeting abstracts of the Physical Society of Japan   64 ( 1 )   932 - 932   2009.3

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  • Multiscale Simulations for Atomic-scale Modification of Nanomaterials

    TSURUTA Kenji, KOYAMA Toshiyuki, KOBAYASHI Ryo, OGATA Shuji, HYODO Shiaki

    Bulletin of the Japan Institute of Metals   48 ( 6 )   303 - 306   2009

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    DOI: 10.2320/materia.48.303

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  • Multiscale Simulations for Atomic-scale Modification of Nanomaterials

    Kenji Tsuruta, Toshiyuki Koyama, Ryo Kobayashi, Shuji Ogata, Shiaki Hyodo

    Materia Japan   48 ( 6 )   303 - 306   2009

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  • 21aRB-10 Revisit to the Ground State for a Single Vacancy in Crystal Silicon

    Ogawa T., Tsuruta K., Iyetomi H., Goto T., Kaneta H. Y.

    Meeting abstracts of the Physical Society of Japan   63 ( 2 )   868 - 868   2008.8

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  • 22pRB-5 Analysis of Electron Systems by Classical Mapping : Wigner Crystallization of Two-Dimensional Electrons in a Finite Domain

    Miyake T., Totsuji C., Nakanishi K., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   63 ( 2 )   239 - 239   2008.8

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  • 20pZD-10 Transfer of quantum information and creation of entanglement by coupled spin chains

    Totsuji H., Chai H., Totsuji C., Tsuruta K.

    Meeting abstracts of the Physical Society of Japan   63 ( 2 )   106 - 106   2008.8

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  • 21pRB-5 Revisit to the Nature of an Isolated Vacancy in Silicon : Large-scale Density-functional Calculations

    Tsuruta Kenji

    Meeting abstracts of the Physical Society of Japan   63 ( 2 )   876 - 876   2008.8

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  • 24pYF-6 Temperature dependence of elastic constants of Si crystal with vacancy : TBMD and DFT analyses

    Ogawa T., Tsuruta K., Iyetomi H, Goto T., Kaneta H., Totsuji C., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   63 ( 1 )   937 - 937   2008.2

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  • 23aTE-6 CHNC simulations of 2D-electron fluid at finite temperatures

    Totsuji C., Nakanishi K., Miyake T., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   63 ( 1 )   260 - 260   2008.2

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  • 22aWA-11 Analysis of Electron Systems by Classical Mapping : Spin Polarization of Two-Dimensional Electrons in a Finite Domain

    Miyake T., Nakanishi K., Totsuji C., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   62 ( 2 )   284 - 284   2007.8

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  • 22pTD-10 Electronic States and Vibrational Modes of Atomic Vacancy in Si Crystal : Ab Initio and Tight-binding Calculations

    Tsuruta K., Ogawa T., Iyetomi H, Goto T., Kaneta H, Totsuji C., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   62 ( 2 )   994 - 994   2007.8

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  • 19pWB-10 Ground State of Two-Dimensional Electron Systems : Molecular Dynamics Simulation Based on Classical Mapping

    Nakanishi Kenta, Totsuji Chieko, Miyake Takashi, Tsuruta Kenji, Totsuji Hiroo

    Meeting abstracts of the Physical Society of Japan   62 ( 1 )   269 - 269   2007.2

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  • 19pQE-16 Oscillation Spectrum in Spherical Coulomb and Yukawa Clusters

    Ogawa Takafumi, Totsuji Chieko, Tsuruta Kenji, Totsuji Hiroo

    Meeting abstracts of the Physical Society of Japan   62 ( 1 )   210 - 210   2007.2

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  • Multiscale molecular dynamics simulations of nanostructured materials

    Kenji Tsuruta, Atsushi Uchida, Chieko Totsuji, Hiroo Totsuji

    THERMEC 2006, PTS 1-5   539-543   2804 - +   2007

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  • Structure and melting of clusters of micron-sized particles in plasmas under microgravity : Numerical and theoretical studies

    OGAWA Takafumi, TOTSUJI Chieko, TSURUTA Kenji, TOTSUJI Hiroo

    23 ( 4 )   330 - 330   2006.11

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  • 25pYK-10 Hydrogen Diffusion in Si Crystal : Hybrid MD/TBMD Simulations

    Tsuruta K., Hamasaki I., Totsuji C., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   61 ( 2 )   806 - 806   2006.8

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  • 25aYB-7 TBMD Simulations of Carbon Nanotube/Ni Interfaces

    Tsuruta K., Srivastava Deepak, Totsuji C., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   61 ( 2 )   687 - 687   2006.8

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  • 26aQB-11 Particle Simulations of melting of Three-Dimensional Yukawa clusters

    Ogawa Takafumi, Totsuji Chieko, Tsuruta Kenji, Totsuji Hiroo

    Meeting abstracts of the Physical Society of Japan   61 ( 2 )   168 - 168   2006.8

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  • 27aUC-8 Melting of dust particle clusters under microgravity analyzed by Monte Carlo Simulation

    Ogawa Takafumi, Totsuji Chieko, Tsuruta Kenji, Totsuji Hiroo

    Meeting abstracts of the Physical Society of Japan   61 ( 1 )   195 - 195   2006.3

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  • 28aXH-11 Parameterization in the classical mapping method for quantum electron liquids

    Miyake Takashi, Totsuji Chieko, Tsuruta Kenji, Totsuji Hiroo

    Meeting abstracts of the Physical Society of Japan   61 ( 1 )   284 - 284   2006.3

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  • Distribution of Electrons in Quantum Dots Analyzed by Classical Mapping and Molecular Dynamics

    Takashi Miyake, Totsuji Chieko, Tsuruta Kenji, Totsuji Hiroo

    Memoirs of the Faculty of Engineering, Okayama University   40 ( 1 )   40 - 43   2006.1

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  • Melting of Spherical Yukawa Clusters Analyzed by Monte CarloSimulation

    Ogawa Takafumi, Totsuji Chieko, Tsuruta Kenji, Totsuji Hiroo

    Memoirs of the Faculty of Engineering, Okayama University   40 ( 1 )   31 - 35   2006.1

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  • 22pXL-14 Analysis of two-dimensional finite electron liquids by classical mapping

    Miyake T., Totsuji C., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   60 ( 2 )   216 - 216   2005.8

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  • 21pWG-2 Structure of dust particle clusters under microgravity : Analysis based on shell model

    Ogawa Takafumi, Totsuji Chieko, Tsuruta Kenji, Totsuji Hiroo

    Meeting abstracts of the Physical Society of Japan   60 ( 2 )   119 - 119   2005.8

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  • Large-scale FDTD Simulations on Parallel Computers : An Application to Photonic-Crystal Devices

    HIRAHATA Yoshiaki, TSURUTA Kenji, TOTSUJI Chieko, TOTSUJI Hiroo, FUJIMORI Kazuhiro

    24   67 - 70   2005.7

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  • A Consideration for Promotion of Streamlining for Property Analysis of Amplifier at Microwave Range by FDTD Method.

    KAWASHIMA Naoto, FUJIMORI Kazuhiro, TSURUTA Kenji, FUJIWARA Koji, NOGI Shigeji

    24   63 - 66   2005.7

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  • 26pYM-1 TBMD and Hybrid MD/TBMD Simulations of Si Grain Boundaries : Locality of Electronic States and Hydrogen Diffusion

    Tsuruta K., Totsuji C., Totsuji H., Ogata S.

    Meeting abstracts of the Physical Society of Japan   60 ( 1 )   918 - 918   2005.3

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  • 26pYF-13 Tight-binding approach to electronic dynamics in semiconducting nanostructuree

    Kadono K., Totsuji C., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   60 ( 1 )   310 - 310   2005.3

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  • 26pXG-7 Structure formation of dust particles under microgravity

    Ogawa Takafumi, Totsuji Chieko, Tsuruta Kenji, Totsuji Hiroo

    Meeting abstracts of the Physical Society of Japan   60 ( 1 )   243 - 243   2005.3

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  • Large-Scale Molecular Dynamics Simulation of CoulombClusters: A Finite-Temperature Analysis

    Kanamori Katsuya, Totsuji Chieko, Tsuruta Kenji, Totsuji Hiroo

    Memoirs of the Faculty of Engineering, Okayama University   39 ( 1 )   52 - 55   2005.1

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  • Toward Larger-Scale, More Accurate MD Simulations : On A Hybrid Quantum/Classical Approach

    TSURUTA Kenji

    Journal of the Japan Society of Mechanical Engineers   Vol.108, No. 1043 ( 1043 )   809 - 811   2005

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  • Strategic Application of Asia-Pacific GRID for Ultrascale Materials Simulations

    NAKANO Aiichiro, KALIA Rajiv K., VASHISHTA Priya, OGATA Shuji, SEKIGUCHI Satoshi, TANAKA Yoshio, TSURUTA Kenji

    Journal of the Japan Society of Mechanical Engineers   Vol.108, No. 1043 ( 1043 )   815 - 817   2005

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  • 28aWM-7 Electron Dynamics in Semiconductor Nanowires

    Kadono K., Totsuji C., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   59 ( 1 )   286 - 286   2004.3

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  • Tight-binding approach to electron transport in nanostructured semiconductor

    Keisuke Kadono, Kenji Tsuruta, Chieko Totsuji, Hiroo Totsuji

    Transactions of Materials Reseach Society of Japan   2004

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  • Hydrogen diffusion in Si: A tight-binding molecular dynamics study

    Masataka Yokoyama, Chieko Totsuji, Kenji Tsuruta, Hiroo Totsuji

    Transactions of Materials Reseach Society of Japan   2004

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  • Parallel TBMD and hybrid MD/TBMD simulations of nanostructured materials

    Kenji Tsuruta, Chieko Totsuji, Hiroo Totsuji, Shuji Ogata

    Transactions of Materials Reseach Society of Japan   2004

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  • Mechanisms of impury diffusion on Si with a point defect: Tight-binding molecular dynamics simulation

    Takahiro Igarashi, Hiroshi Iyetomi, Kenji Tsuruta, Shuji Ogata

    Transactions of Materials Reseach Society of Japan   2004

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  • Dynamical Properties of Two-dimensional Dusty Plasmas : A Molecular Dynamics Study

    Liman M. S., Totsuji C., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   58 ( 2 )   189 - 189   2003.8

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  • Estimation of screening length and electric charge on particles in single-layered dusty plasma crystals

    Totsuji Chieko, Liman M. S., Tsuruta Kenji, Totsuji Hiroo

    Meeting abstracts of the Physical Society of Japan   58 ( 2 )   189 - 189   2003.8

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  • Thermodynamic Stability of Dusty Plasmas

    Totsuji H., Liman M. S., Totsuji C., Tsuruta K.

    Meeting abstracts of the Physical Society of Japan   58 ( 2 )   189 - 189   2003.8

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  • Diffusion Mechanisms of Impurities and Point Defects in Silicon : Tight-Binding Molecular Dynamics Simulation

    Igarashi T., Iyetomi H., Tsuruta K.

    Meeting abstracts of the Physical Society of Japan   58 ( 2 )   856 - 856   2003.8

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  • Formation and stability of grain boundaries of nanostructured Si and SiC : Parallel TBMD and hybrid MD/TBMD simulations

    Tsuruta K., Oka K., Totsuji C., Totsuji H., Ogata S.

    Meeting abstracts of the Physical Society of Japan   58 ( 2 )   855 - 855   2003.8

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  • Molecular Dynamics Simulations of Wave Dispersion Relations in Two Dimensional Yukawa fluids

    Liman M. Sanusi, Totsuji C., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   58 ( 1 )   209 - 209   2003.3

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    The dynamical form factor and the wave dispersion relations of the two-dimensional Yukawa fluids are obtained by extensive molecular dynamics simulations for a wide range of coupling and the screening parameters. It is observed that, for weak screening, the transverse wave dispersion has a cut-off at a long wavelength. The simulation results are compared with the earlier theoretical predictions of the Yukawa dispersion relations and good agreement is found in the regimes of interest.

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  • セラミックス・ナノ微粒子系の原子論的シミュレーション

    鶴田健二

    粉砕   46号 (平成14年) 別冊,pp.33-36   2003

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  • Stability of amorphous grain boundary of Si:MD/TBMD simulations

    Tsuruta K, Miyake T, Ueno H, Totsuji C, Totsuji H

    Meeting abstracts of the Physical Society of Japan   57 ( 2 )   832 - 832   2002.8

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  • 25aXR-10 Point Defects and Impurity in Silicon CrystalTight Binding Molecular Dynamics Simulation

    Igarashi T., Nomura K., Iyetomi H., Kohayashi M., Tsuruta K.

    Meeting abstracts of the Physical Society of Japan   57 ( 1 )   893 - 893   2002.3

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  • 27pXQ-2 Confined Yukawa System: Simulation and Theory of One- and Multi-Component Systems under Microgravity III

    Totsuji H., Totsuji C., Tsuruta K.

    Meeting abstracts of the Physical Society of Japan   57 ( 1 )   218 - 218   2002.3

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  • 27pXQ-3 Ground States and Structural Transition in Coulomb Clusters

    Totsuji C., Kishimoto T., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   57 ( 1 )   218 - 218   2002.3

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  • Atomic Structure of Grain Boundaries in Diamond : A Tight-Binding Molecular Dynamics Study

    FURUBAYASHI T.

    Trans. MRS-J   27   305 - 308   2002

  • 原子論/電子論にもとづくナノ微粒子界面現象のシミュレーション

    鶴田健二

    粉体工学会誌   第39巻,第9号,pp.692-702   2002

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  • Confined Yukawa System : Simulation and Theory of One- and Multi-Component Systems under Microgravity II

    Totsuji H., Totsuji C., Tsuruta K., Kishimoto T.

    Meeting abstracts of the Physical Society of Japan   56 ( 2 )   139 - 139   2001.9

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  • Madelung Energy of Coulomb Clusters II

    Totsuji Hiroo, Kishimoto Tokunari, Totsuji Chieko, Tsuruta Kenji

    Meeting abstracts of the Physical Society of Japan   56 ( 2 )   142 - 142   2001.9

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  • Large-Scale Parallel Molecular Dynamics : Toward Computer-Aided Control of Defects and Interfaces in Materials

    Tsuruta K.

    Meeting abstracts of the Physical Society of Japan   56 ( 2 )   798 - 798   2001.9

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  • Tight-Binding Molecular Dynamics Simulation of Impurity Diffusion in Nano-Structured Si

    Igarashi T., Nomura K., Iyetomi H., Kobayashi M., Tsuruta K.

    Meeting abstracts of the Physical Society of Japan   56 ( 2 )   788 - 788   2001.9

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  • Sintering and Dielectric Structures of TiO_2 Nanoparticles : Varible-Charge Molecular Dynamics

    Ogata S., Iyetomi H., Tsuruta K., Shimojo F.

    Meeting abstracts of the Physical Society of Japan   56 ( 2 )   788 - 788   2001.9

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  • Molecular Dynamics of Yukawa System using the Fast Multipole Method

    Kishimoto Tokunari, Totsuji Chieko, Tsuruta Kenji, Totsuji Hiroo

    Memoirs of the Faculty of Engineering, Okayama University   35 ( 1 )   77 - 95   2001.3

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  • Sintering Simulation of Nanophase Ceramic by Constant-Pressure Tight-Binding Molecular Dynamics

    Tsuruta K., Totsuji H., Totsuji C.

    Meeting abstracts of the Physical Society of Japan   56 ( 1 )   874 - 874   2001.3

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  • Detailed Dynamical Analyses on Sintering Processes of TiO_2 Nanoparticles : Variable-Charge Molecular Dynamics Simulations

    Iyetomi Hiroshi, Ogata Shuji, Tsuruta Kenji, Shimojo Fuyuki

    Meeting abstracts of the Physical Society of Japan   56 ( 1 )   846 - 846   2001.3

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  • Quantum Simulation of Hydrogen Plasma : Dynamic Properties

    Totsuji H., Nishii Y., Totsuji C., Tsuruta K., Fukumoto I., Chihara J., Yamagiwa M., Tajima T.

    Meeting abstracts of the Physical Society of Japan   56 ( 1 )   179 - 179   2001.3

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  • Madelung Energy of Coulomb Clusters

    Kishimoto Tokunari, Totsuji Chieko, Tsuruta Kenji, Totsuji Hiroo

    Meeting abstracts of the Physical Society of Japan   56 ( 1 )   204 - 204   2001.3

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  • Parallel Molecular Dynamics of Coulomb Clusters

    T. Kishimoto, C. Totsuji, K. Tsuruta, H. Totsuji

    Proceedings of the International Congress on Plasma Physics 2000   2001

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  • Sintering of TiO2 Nanoparticles: Variable-Charge Molecular Dynamics on PC clusters

    Shuji Ogata, Hiroshi Iyetomi, Kenji Tsuruta, Fuyuki Shimojo

    International Simposia on Materials Science for the 21st Century   2001

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  • Structures of Confined Yukawa System with and without Gravity

    C. Totsuji, T. Kishimoto, K. Tsuruta, H. Totsuji

    Proceedings of the International Congress on Plasma Physics 2000   2001

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  • Initial stages of sintering of TiO2 nanoparticles: Variable-charge molecular dynamics simulations

    S. Ogata, H. Iyetomi, K. Tsuruta, F. Shimojo, A. Nakano, P. Vashishta, R. K. Kalia, C.-K. Loong

    Mat. Res. Soc. Symp. Proc.   2001

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  • Parallel Tight-Binding Simulations of Nanophase Ceramics: Atomic and Electronic Transport at Grain Boundaries

    K. Tsuruta, H. Totsuji, C. Totsuji

    Mat. Res. Soc. Symp. Proc.   2001

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  • ナノ材料シミュレーションの最近の展開

    家富洋, 尾形修司, 菊池英明, 下條冬樹, 鶴田健二, 中野愛一郎, R. K. Kalia, P. Vashishta

    マテリアルインテグレーション   Vol. 14 No. 1, pp.3-8   2001

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  • Confined Yukawa System: Simulation and Theory of One- and Multi- Component Systems under Microgravity

    Totsuji H., Kishimoto T., Tsuruta K., Totsuji C.

    Meeting abstracts of the Physical Society of Japan   55 ( 2 )   190 - 190   2000.9

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  • Variable-Charge Molecular Dynamics Simulations for Structure and Space Charge Distribution in Nanophased TiO_2

    Iyetomi Hiroshi, Ogata Shuji, Tsuruta Kenji, Simojo Fuyuki

    Meeting abstracts of the Physical Society of Japan   55 ( 2 )   860 - 860   2000.9

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  • Sintering Simulations of SiC Nanocrystals via Tight-binding Molecular Dynamics

    Tsuruta K., Totsuji H., Totsui C.

    Meeting abstracts of the Physical Society of Japan   55 ( 2 )   859 - 859   2000.9

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  • Quantum Molecular-Dynamics Simulation of Hydrogen Plasma : Parallelization Strategies and Performance

    Tsuruta K., Ueshima Y., Chihara J., Tajima T., Nishii Y., Totsuji C., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   55 ( 1 )   129 - 129   2000.3

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  • Quantum Simulation of Hydorgen Plasma : Thermodynamic Properties

    Nishii Y., Totsuji C., Tsuruta K., Totsuji H., Ueshima Y., Chihara J., Tajima T.

    Meeting abstracts of the Physical Society of Japan   55 ( 1 )   129 - 129   2000.3

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  • Structure and Melting of Two-Dimensional Dust Crystals (2)

    Kamon K., Kishimoto T., Totsuji C., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   55 ( 1 )   153 - 153   2000.3

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  • Multicomponent Plasmas in Penning Traps : Parallel Molecular Dynamics of 10^5 ions on PC Cluster

    Kishimoto T., Nakano K., Totsuji C., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   55 ( 1 )   152 - 152   2000.3

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  • Multicomponent Plasmas in Penning Trap : Relaxation in Strong Magnetic Field

    Totsuji H., Kishimoto T., Tsuruta K., Totsuji C.

    Meeting abstracts of the Physical Society of Japan   55 ( 1 )   152 - 152   2000.3

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  • Analysis of Si/Ge via Nonorthogonal Tight-Binding Method

    Shinomiya S., Totsuji C., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   55 ( 1 )   857 - 857   2000.3

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  • Simulation on Aggregation of TiO_2 Nano-Particulates : Effects of Surface Charge Layer

    Iyetomi Hiroshi, Ogata Shuji, Tsuruta Kenji, Shimojo Fuyuki, Kalia Rajiv K., Nakano Aiichiro, Vashishta Priya

    Meeting abstracts of the Physical Society of Japan   55 ( 1 )   864 - 864   2000.3

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  • Tight-binding Molecular Dynamics of SiC : Sintering of Nanocrystals and Extraction Schemes for TB Parameters

    Tsuruta K., Totsuji H., Totsuji C., Kohyama M.

    Meeting abstracts of the Physical Society of Japan   55 ( 1 )   865 - 865   2000.3

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  • Variable-charge molecular dynamics of aggregation of TiO2 nanocrystals

    S Ogata, H Iyetomi, K Tsuruta, F Shimojo, A Nakano, RK Kalia, P Vashishta

    GRAIN BOUNDARY ENGINEERING IN CERAMICS - FROM GRAIN BOUNDARY PHENOMENA TO GRAIN BOUNDARY QUANTUM STRUCTURES   118   79 - 86   2000

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  • Tight-binding molecular dynamics of ceramic nanocrystals using parallel PC cluster

    K Tsuruta, H Totsuji, C Totsuji

    GRAIN BOUNDARY ENGINEERING IN CERAMICS - FROM GRAIN BOUNDARY PHENOMENA TO GRAIN BOUNDARY QUANTUM STRUCTURES   118   33 - 39   2000

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  • Intercluster interaction of TiO2 nanoclusters using variable-charge interatomic potentials

    S Ogata, H Iyetomi, K Tsuruta, F Shimojo, RK Kalia, A Nakano, P Vashishta

    NANOPHASE AND NANOCOMPOSITE MATERIALS III   581   667 - 672   2000

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  • Tight-binding molecular dynamics of ceramic nanocrystals using PC-based parallel machines

    K Tsuruta, H Totsuji, C Totsuji

    NANOPHASE AND NANOCOMPOSITE MATERIALS III   581   673 - 678   2000

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  • 25aYL-8 Tight-binding Molecular Dynamics of Sintering of Ceramic Nanocrystals

    Tsuruta K, Totsuji H, totsuji C

    Meeting abstracts of the Physical Society of Japan   54 ( 2 )   884 - 884   1999.9

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  • 25aYL-9 Variable-Charge Molecular Dynamics Simulations of Sintering of TiO_2 Nano-particulates

    Iyetomi Hiroshi, Ogata Shuji, Tsuruta Kenji, Shimojo Fuyuki, Kalia Rajiv K., Nakano Aiichiro, Vashishta Priya

    Meeting abstracts of the Physical Society of Japan   54 ( 2 )   884 - 884   1999.9

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  • 26pYN-2 Structure of Two-Dimensional Dust Crystal : Theoretical Analysis

    Totsuji H, Totsuji C, Tsuruta K, Kamon K

    Meeting abstracts of the Physical Society of Japan   54 ( 2 )   177 - 177   1999.9

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  • 26pYN-1 Structure and Melting of Two-Dimensional Dust Crystal : Molecular Dynamics Simulation

    Totsuji H, Kamon K, Totsuji C, Tsuruta K

    Meeting abstracts of the Physical Society of Japan   54 ( 2 )   177 - 177   1999.9

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  • 26pYN-7 Melecular Dynamics of Quantum Plasma III

    Totsuji H, Tsuruta K, Totsuji C, Nishii Y, Kishimoto T

    Meeting abstracts of the Physical Society of Japan   54 ( 2 )   178 - 178   1999.9

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  • 26aYN-1 Relaxation Process of Multicomponent Plasmas in Penning Traps

    Kishimoto T, Nakano K, Totsuji C, Tsuruta K, Totsuji H

    Meeting abstracts of the Physical Society of Japan   54 ( 2 )   168 - 168   1999.9

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  • Multicomponent Plasmas in Penning-Malmberg Traps

    Totsuji Hiroo, Tsuruta Kenji, Totsuji Chieko

    Memoirs of the Faculty of Engineering, Okayama University   33 ( 2 )   61 - 69   1999.4

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  • 31a-XM-11 Multicomponent Plasmas in Penning Traps : Theory and Simulation

    Nakano K., Kamon K., Sasabe T., Kishimoto T., Totsuji C., Tsuruta K., Totsuji H.

    Meeting abstracts of the Physical Society of Japan   54 ( 1 )   835 - 835   1999.3

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  • 31a-XM-12 Molecular Dynamics of Quantum Plasmas II

    Totsuji K., Tsuruta K., Totsuji C., Kishimoto T., Sasabe T.

    Meeting abstracts of the Physical Society of Japan   54 ( 1 )   835 - 835   1999.3

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  • 28a-ZA-8 Interfaces of Ceramics and Semiconductors via O(N) TBMD Simulations

    Tsuruta K., Totsuji H., Totsuji C., Shinomiya S.

    Meeting abstracts of the Physical Society of Japan   54 ( 1 )   100 - 100   1999.3

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  • 29a-ZA-7 Variable-charge potentials for molecular-dynamics simulations of TiO_2

    Ogata S., Iyetomi H., Tsuruta K., Shimojou F., Nakano A., Kalia R.K., Vashishta P.

    Meeting abstracts of the Physical Society of Japan   54 ( 1 )   106 - 106   1999.3

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  • Atomistic simulation of nanostructured materials

    A Nakano, ME Bachlechner, TJ Campbell, RK Kalla, A Omeltchenko, K Tsuruta, P Vashishta, S Ogata, Ebbsjo, I, A Madhukar

    IEEE COMPUTATIONAL SCIENCE & ENGINEERING   5 ( 4 )   68 - 78   1998.10

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  • Internal structure of oxidized Al nanocluster obtained through variable-charge molecular dynamics

    OGATA Shuji, TSURUTA K., CAMPBELL T.J, NAKANO A., KALIA R., VASHISHTA P.

    Meeting abstracts of the Physical Society of Japan   53 ( 2 )   121 - 121   1998.9

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  • Phase Transition of Confined Yukawa System(Dusty Plasma)

    KISHIMOTO T., SASABE T., TOTSUJI C., TSURUTA K., TOTSUJI H.

    Meeting abstracts of the Physical Society of Japan   53 ( 2 )   932 - 932   1998.9

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  • Multicomponent Plasmas in Penning Traps : Theory

    TOTSUJI Hiroo, TSURUTA Kenji, TOTSUJI Chieko

    Meeting abstracts of the Physical Society of Japan   53 ( 2 )   932 - 932   1998.9

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  • Molecular Dynamics of Quantum Plasma

    TOTSUJI Hiroo, TSURUTA Kenji, TOTSUJI Chieko, KISHIMOTO Tokunari

    Meeting abstracts of the Physical Society of Japan   53 ( 2 )   932 - 932   1998.9

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  • Sintering and Fracture in Nanophase Ceramics : Parallel Molecular-dynamics Study

    TSURUTA K., CHATTERJEE A., KIKUCHI H., OMELTCHENKO A., NAKANO A., KALIA R.K, VASHISHTA P.

    Meeting abstracts of the Physical Society of Japan   53 ( 2 )   122 - 122   1998.9

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  • Variable-Charge Molecular Dynamics Simulation on Grain Boundaries of TiO_2

    IYETOMI Hiroshi, OGATA Shuji, TSURUTA Kenji, CAMPBELL Timothy J, NAKANO Aiichiro, KALIA Rajiv K, VASHISHTA Priya

    Meeting abstracts of the Physical Society of Japan   53 ( 2 )   122 - 122   1998.9

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  • SHORT-RANGE SCREENING POTENTIALS FOR CLASSICAL COULOMB FLUIDS - MONTE-CARLO SAMPLING AND CLUSTER MODEL STUDIES (VOL 50, PG 2977, 1994)

    S ICHIMARU, S OGATA, K TSURUTA

    PHYSICAL REVIEW E   51 ( 4 )   3788 - 3788   1995.4

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  • 4a-YC-2 Dense Coulomb Matter : Cluster-Aggregation Model with Intercluster Interaction

    Tsuruta K, Ichimaru S

    Abstracts of the meeting of the Physical Society of Japan. Sectional meeting   1994 ( 3 )   203 - 203   1994.8

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  • 31a-YG-10 Cluster Aggregation Model of Dense Coulomb Matter

    Tsuruta K., Ichimaru S.

    Abstracts of the meeting of the Physical Society of Japan. Annual meeting   49 ( 3 )   273 - 273   1994.3

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  • 12a-A-11 Monte Carlo Cluster Model of Dense Coulomb Matter

    Tsuruta K., Ichimaru S.

    Abstracts of the meeting of the Physical Society of Japan. Sectional meeting   1993 ( 3 )   245 - 245   1993.9

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  • 13p-M-7 Thermal Stability and Equation of State for Coulomb Clusters

    Tsuruta K., Ichimaru S.

    Abstracts of the meeting of the Physical Society of Japan. Sectional meeting   1993 ( 4 )   223 - 223   1993.9

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  • BINDING-ENERGY, MICROSTRUCTURE, AND SHELL-MODEL OF COULOMB CLUSTERS

    K TSURUTA, S ICHIMARU

    PHYSICAL REVIEW A   48 ( 2 )   1339 - 1344   1993.8

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  • 25p-C-2 Thermal and Dyamic Properties of Coulomb Clusters

    Tsuruta K, Ichimaru S

    1992 ( 4 )   135 - 135   1992.9

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  • 27p-Z-7 Binding Energies and Microstructures in Mesoscopic Systems of Charged Particles

    Tsuruta K, Ichimaru S

    47 ( 4 )   153 - 153   1992.3

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  • 24a-D-2 Odering Processes in Trapped Ions

    Tsuruta K., Ichimaru S.

    1991 ( 4 )   108 - 108   1991.3

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▼display all

Presentations

  • First-principles analysis of stearic acid adsorption on calcite (104) surface International conference

    Narumi MACHIDA, Masaaki MISAWA, Y. KEZUKA, and Kenji TSURUTA

    The 9th International Symposium on Surface Science  2021.11.30  The Japan Society of Vacuum and Surface Science

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    Event date: 2021.11.29 - 2021.12.1

    Language:English   Presentation type:Poster presentation  

    Venue:Takamatsu (Online)   Country:Japan  

  • Improvement of Variational Auto-Encoder Design of Organic Molecules by Discriminator

    Kyosuke SATO, Masaaki MISAWA, and Kenji TSURUTA

    Chem-Bio Informatics Society(CBI) Annual Meeting 2021  Chem-Bio Informatics Society

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    Event date: 2021.10.26 - 2021.10.28

    Language:Japanese   Presentation type:Poster presentation  

    Venue:Online   Country:Japan  

  • Design of topological phononic structure for multi mode propagation International conference

    Hiroaki Takeshita , Masaaki Misawa , Kenji Tsuruta

    The 42nd Symposium on Ultrasonic Electronics  2021.10.27  Comittee of Symposium on Ultraonics Electronics

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    Event date: 2021.10.25 - 2021.10.27

    Language:English   Presentation type:Poster presentation  

    Venue:Online   Country:Japan  

  • Design of High-efficiency Sound Absorption and Energy Harvesting Devices Using Acoustic Metasurfaces International conference

    Ryota Takami , Masaaki Misawa , Kenji Tsuruta

    The 42nd Symposium on Ultrasonic Electronics  2021.10.27  Comittee of Symposium on Ultraonics Electronics

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    Event date: 2021.10.25 - 2021.10.27

    Language:English   Presentation type:Poster presentation  

    Venue:Online   Country:Japan  

  • Band Structure Design for a Two-Dimensional Phononic Crystal using Various Optimization Methods International conference

    Kazuki Akae, Masaaki Misawa, Kenji Tsuruta

    The 42nd Symposium on Ultrasonic Electronics  2021.10.26  Comittee of Symposium on Ultraonics Electronics

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    Event date: 2021.10.25 - 2021.10.27

    Language:English   Presentation type:Poster presentation  

    Venue:Online   Country:Japan  

  • Design and measurement of topological elastic waveguide based on phononic crystal International conference

    Motoki Kataoka, Masaaki Misawa, Kenji Tsuruta

    The 42nd Symposium on Ultrasonic Electronics  2021.10.25  Comittee of Symposium on Ultraonics Electronics

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    Event date: 2021.10.25 - 2021.10.27

    Language:English   Presentation type:Oral presentation (general)  

    Venue:Online   Country:Japan  

  • リザバーコンピューティングを用いたデジタルメタマテリアルの光学応答予測

    目黒智也, 佐藤郷介, 三澤賢明, 藤森和博, 鶴田健二

    2021年度(第72回)電気・情報関連学会 中国支部連合大会  2021.10.23  映像情報メディア学会・電気設備学会・照明学会 電子情報通信学会・電気学会・情報処理学会 中国支部

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    Event date: 2021.10.23

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:広島工大(オンライン)   Country:Japan  

  • バンド構造を最適化する2次元フォノニック結晶の構造探 索

    赤江 一樹,三澤 賢明,鶴田 健二

    第 34 回計算力学講演会  2021.9.21  日本機械学会

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    Event date: 2021.9.21 - 2021.9.23

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    Venue:オンライン   Country:Japan  

  • 高効率弾性波輸送のためのトポロジカルフォノニック構 造設計

    片岡 源樹,竹下 弘明,三澤 賢明,鶴田 健二

    第 34 回計算力学講演会  2021.9.21  日本機械学会

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    Event date: 2021.9.21 - 2021.9.23

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:オンライン   Country:Japan  

  • カルサイト(104)表面におけるステアリン酸の吸着に関する第一原理解析

    町田 成海、三澤 賢明、毛塚 雄己、鶴田 健二

    日本金属学会2021年秋期(第169回)講演大会  2021.9.16  日本金属学会

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    Event date: 2021.9.14 - 2021.9.17

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:オンライン   Country:Japan  

  • C3v対称性をもつトポロジカルフォノニック結晶による 弾性波導波路の構造設計

    竹下 弘朗,三澤 賢明,鶴田 健二

    第82回応用物理学会秋季学術講演会  2021.9.12  フォノンエンジニアリング研究会

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    Event date: 2021.9.10 - 2021.9.13

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:同志社大学(オンライン)   Country:Japan  

  • フォノニック結晶を用いたトポロジカル弾性波導波路の設計・計測

    片岡 源樹,三澤 賢明,鶴田 健二

    第82回応用物理学会秋季学術講演会  2021.9.12  フォノンエンジニアリング研究会

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    Event date: 2021.9.10 - 2021.9.13

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:同志社大学(オンライン)   Country:Japan  

  • Optimization of Molecular Characteristics via Machine Learning based on Continuous Representation of Molecules Invited International conference

    Kenji Tsuruta and Kyosuke Sato

    THERMEC '2021  2021.6.3  THERMEC2021 Program Comittee

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    Event date: 2021.6.1 - 2021.6.5

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    Venue:Vienna (virtual)   Country:Austria  

  • フォノニック構造を用いたトポロジカル音響導波路と非相反伝搬機構の設計 Invited

    鶴田 健二

    第81回応用物理学会秋季学術講演会  2020.9.10  フォノンエンジニアリング研究会

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    Event date: 2020.9.8 - 2020.9.11

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Venue:同志社大学(オンライン)   Country:Japan  

  • Transmission and focusing of ultrasonic wave in silicone by two-dimensional phononic crystal

    The 29th Symposium on Ultrasonic Electronics (USE2018)  2018 

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  • Wideband acoustic absorber by multicomponent metasurfaces and its application to energy harvesting

    The 29th Symposium on Ultrasonic Electronics (USE2018)  2018 

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  • Non-Reciprocal Acoustic Waveguide based on Guided-Mode Conversion by Cavity Resonance in Phononic Crystal

    2018 

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  • Design of Non-Reciprocal Elastic Waveguide based on Indirect Mode Transitions

    2018 

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  • Data-Driven Organic Molecule Design for Optimization of Physical Properties

    2018 

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  • Design of Sound-Absorbing Metasurface toward a Broadband Energy Harvester

    2018 

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  • フォノニック結晶による超音波伝搬制御と光学的可視化

    音響・超音波サブソサイエティ合同研究会  2018 

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  • Super chiral field in infrared metamaterials for D/L-alanine analysis

    2018 

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  • Design of high efficiency elastic wave lens by phononic crystal in silicone

    2018 

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  • Design of two-dimensional phononic crystal in silicone and its application to GRIN lens

    2018 

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  • Reduction of leakage transmission loss for non-reciprocal wave propagation in hetero-phononic structure

    2018 

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  • Absorption Characteristics of Acoustic Metasurface using Multiple Resonant Membranes and their Application to Energy Harvesting

    2018 

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  • Super chiral field in infrared metamaterials for amino acid analysis

    2018 

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  • 十字穴を有するフォノニック結晶のバンドギャップ制御のための解析モデル

    第65回応用物理学会春季学術講演会  2018 

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  • Metaheuristic Ab-initio Optimum Search for Doping Effects in Nanocarbons

    THERMEC2018  2018 

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  • 人工網膜分子(NK5962)のカウンターイオン置換:第一原理分子動力学シミュレーション

    第65回応用物理学会春季学術講演会  2018 

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  • シリコーン中のフォノニック結晶による高効率弾性波レンズの設計

    2018年度応用物理・物理系学会中国四国支部合同学術講演会  2018 

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  • シリコーン中の2次元フォノニック結晶の設計とGRINレンズへの応用

    第63回音波と物性討論会  2018 

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  • ヘテロフォノニック構造を用いた非相反弾性波伝搬における漏洩低減の検討

    2018年度応用物理・物理系学会中国四国支部合同学術講演会  2018 

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  • 多重共振膜構造を用いた音響メタ表面の吸音特性と環境発電への応用

    2018年度応用物理・物理系学会中国四国支部合同学術講演会  2018 

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  • 間接音響遷移に基づく音響ダイオードの数値シミュレーション

    音響・超音波サブソサイエティ合同研究会  2018 

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  • フォノニック結晶のバンドギャップ制御のための理論モデル

    音響・超音波サブソサイエティ合同研究会  2018 

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  • EITメタマテリアル格子と有機分子との共鳴結合を用いた高感度赤外吸収分光

    第65回応用物理学会春季学術講演会  2018 

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  • 温暖湿潤気候における日中放射冷却デバイスの特性評価

    第65回応用物理学会春季学術講演会  2018 

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  • フォノニック結晶中の空洞共振による導波モード変換を用いた非相反音響導波路

    日本物理学会2018年秋季大会  2018 

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  • EIT metamaterial lattice for enhanced sensitivity of infrared molecular detection

    The 65th JSAP Spring Meeting 2018  2018 

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  • Characterization of Daytime Radiative Cooling in Warm and Humid Environment

    The 65th JSAP Spring Meeting 2018  2018 

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  • Effects of counter-ion substitution on properties of artificial-retinal molecule : ab initio molecular dynamics simulations

    The 65th JSAP Spring Meeting 2018  2018 

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  • Analytical Models for Bandgap Control of Phononic Crystals with Cross-holes

    The 65th JSAP Spring Meeting 2018  2018 

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  • 物性最適化のためのデータ駆動型有機分子設計

    2018年応用物理学会秋季学術講演会  2018 

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  • 環境発電デバイス広帯域化のための吸音メタ表面の設計

    2018年応用物理学会秋季学術講演会  2018 

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  • Design of Non-reciprocal Lamb Wave Filter by Heterojunction Phononic Crystals

    IEEE International Ultrasonics Symposium  2018 

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  • 赤外メタマテリアルの局所光学活性を用いたD/L-アラニン解析

    2018年応用物理学会秋季学術講演会  2018 

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  • Design and Assessment of Phononic Crystals for Controlling Ultrasonic Wave via Optical Measurement Method

    IEEE International Ultrasonics Symposium  2018 

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  • Transferable Analytical Model of Phononic Bandgap in Cross-hole Phononic Crystals

    IEEE International Ultrasonics Symposium  2018 

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  • Effect of Defect on Structural and Optical Properties in Methyl-Ammonium Lead Iodide(MAPI) Perovskite via First Principles Calculations

    The 9th International Conference on Multiscale Materials Modeling  2018 

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  • Numerical Simulation of Non-reciprocal Acoustic Waveguide based on Indirect Interband Transitions

    IEEE International Ultrasonics Symposium  2018 

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  • 間接遷移型モード変調に基づく非相反音響導波路の構造設計

    日本物理学会2018年秋季大会  2018 

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  • 赤外メタマテリアルの局所光学活性を用いたアミノ酸解析

    2018年度応用物理・物理系学会中国四国支部合同学術講演会  2018 

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  • 遺伝的アルゴリズムを用いて自動設計した赤外デジタルメタマテリアル

    第64回応用物理学会春季学術講演会  2017 

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  • Design of non-reciprocal acoustic waveguides by indirect interband transitions

    The 72nd Physical Society of Japan Annual Meeting  2017 

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  • First-principles calculation of amorphization and topology of alpha-Fe2O3

    The 72nd Physical Society of Japan Annual Meeting  2017 

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  • Structure optimization of metal-dielectric multi-layer for high-efficiency daytime radiative cooling

    The 64th JSAP Spring Meeting 2016  2017 

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  • Automated genetic algorithm design of infrared digital metamaterials

    The 64th JSAP Spring Meeting 2016  2017 

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  • Structure optimization of metallodielectric multilayer for high-efficiency daytime radiative cooling

    SPIE Optics + Photonics 2017  2017 

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  • Metaheuristic ab-initio algorithm for designing hetero-doped graphene

    第10回先進セラミックス科学技術国際会議  2017 

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  • 炭素繊維複合材料の界面状態と力学特性に関する分子動力学シミュレーション

    日本金属学会2017年度秋季講演大会  2017 

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  • Automated design of infrared digital metamaterials by Genetic Algorithm

    SPIE Optics + Photonics 2017  2017 

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  • フォノニック結晶中の超音波伝搬と光学的可視化評価

    第 62 回 音波と物性討論会/ 第 9回 ナノレオロジー研究会  2017 

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  • Hierarchical Simulations for Doping Effects in Nanomaterials

    Frontiers in Materials Processing Applications, Research and Technology (FiMPART2017)  2017 

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  • 間接音響遷移に基づく音響ダイオードのFDTD解析

    2017年度応用物理・物理系学会・中国四国支部合同学術講演会  2017 

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  • フォノニック結晶を用いた音響導波路の作製および光学的可視化評価

    2017年度応用物理・物理系学会・中国四国支部合同学術講演会  2017 

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  • 分子動力学法による炭素繊維強化プラスチックの遷移-樹脂界面解析

    2017年度応用物理・物理系学会・中国四国支部合同学術講演会  2017 

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  • 十字穴を有するフォノニック結晶のバンドギャップ制御と作製

    2017年度応用物理・物理系学会・中国四国支部合同学術講演会  2017 

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  • 機械学習法によるタイトバインディングパラメータの抽出

    2017年度応用物理・物理系学会・中国四国支部合同学術講演会  2017 

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  • Cross-Polarized Surface-Enhanced Infrared Spectroscopy by Asymmetric Metamaterials

    MTSA 2017&TeraNano-8  2017 

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  • 十字穴を有するフォノニック結晶のバンドギャップ制御に関する有限要素解析

    第30回計算力学講演会  2017 

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  • メタヒューリスティクスと第一原理計算によるヘテロドープグラフェンの設計アルゴリズム

    日本金属学会2017年度秋季講演大会  2017 

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  • Control and optical visualization of ultrasonic propagation in phononic crystal

    The 38th Symposium on Ultrasonics Electronics (USE 2017)  2017 

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  • 赤外デジタルメタマテリアルの計算機による自動設計と作製

    第30回計算力学講演会  2017 

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  • 3D Chiral Metamaterial with Printed Electronics

    MTSA 2017&TeraNano-8  2017 

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  • Theorical modeling and experimental measurement for bandgap control of phononic crystals

    The 38th Symposium on Ultrasonics Electronics (USE 2017)  2017 

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  • Automated design of infrared digital metamaterials by Genetic Algorithm

    SPIE Optics + Photonics 2017  2017 

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  • Structure optimization of metallodielectric multilayer for high-efficiency daytime radiative cooling

    SPIE Optics + Photonics 2017  2017 

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  • Metaheuristic ab-initio algorithm for designing hetero-doped graphene

    The 10th International Conference on the Science and Technology for Advanced Ceramics (STAC-10)  2017 

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  • Hierarchical Simulations for Doping Effects in Nanomaterials

    Frontiers in Materials Processing Applications, Research and Technology (FiMPART2017)  2017 

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  • Molecular dynamics simulation on CFRP interface

    The 1st Symposium of the Society of Interfacial Material Science  2017 

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  • Acoustic waveguide in phononic crystals and optical visualization

    2017 

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  • Ultrasonic propagation in phononic crystals and optical visualization

    The 62st Symposium on Sono-Physics and Sono-Chemistry / The 9th Scientific Meeting on Nano-Reology  2017 

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  • Bandgap control and fabrication of phononic crystal with cross holes

    2017 

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  • FDTD analysis on acoustic diodes based on indirect interband phononic transitions

    2017 

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  • Machine learning for prediction of the tight-binding parameters

    2017 

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  • CFRP interfacial analysis by molecular dynamics simulation

    2017 

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  • alpha-Fe2O3 のアモルファス化とトポロジーに関する第一原理解析

    2017年日本物理学会年次大会  2017 

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  • CFRP界面の分子動力学シミュレーション

    第1回複合材料界面科学研究会シンポジウム  2017 

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  • 間接バンド間遷移を用いた非相反音響導波路の設計

    2017年日本物理学会年次大会  2017 

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  • Design of hetero-doped graphene by metaheuristic ab-initio algorithm

    2017 Japan Institute of Metals and Materials Fall Meeting  2017 

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  • Molcular-dynamics simulations on interfacial states and mechanical properties of CFRP

    2017 Japan Institute of Metals and Materials Fall Meeting  2017 

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  • Finite element analysis on bandgap control of phononic crystal with cross holes

    JSME 30th Computational Mechanics Division Conference (CMD2017)  2017 

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  • Theorical modeling and experimental measurement for bandgap control of phononic crystals

    The 38th Symposium on Ultrasonics Electronics (USE 2017)  2017 

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  • Control and optical visualization of ultrasonic propagation in phononic crystal

    The 38th Symposium on Ultrasonics Electronics (USE 2017)  2017 

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  • 金属・誘電体多層膜の構造最適化による高効率日中放射冷却

    第64回応用物理学会春季学術講演会  2017 

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  • Hybrid quantum/classical simulations for dopant segregation and optical response of nanomaterials

    THERMEC’2016 - International Conference on Processing & Manufacturing of advanced Materials  2016 

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  • Hybrid quantum/classical simulations for dopant segregation and optical response of nanomaterials

    THERMEC'2016 - International Conference on Processing & Manufacturing of advanced Materials  2016 

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  • Controlled Fano Resonances in Symmetry-Broken Infrared Metamaterials

    The 63th JSAP Spring Meeting 2016  2016 

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  • Design of composite-structured acoustic metasurface toward wideband energy harvesting

    The 37th Symposium on Ultrasonics Electronics (USE 2016)  2016 

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  • Controlled Fano resonances via symmetry breaking in metamaterials for high-sensitive infrared spectroscopy

    SPIE Optics + Photonics 2016  2016 

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  • Fano-Resonant Asymmetric Metamaterials for Surface-Enhanced Infrared Molecular Detection

    2016 

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  • Design of non-reciprocal acoustic waveguides by indirect interband transitions

    The 37th Symposium on Ultrasonics Electronics (USE 2016)  2016 

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  • 赤外メタマテリアルの構造対称性制御によるファノ共鳴励起

    第63回応用物理学会春季学術講演会  2016 

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  • 界面改質されたグラファイト-樹脂複合材料の第一原理および古典分子動力学解析

    第7回複合材料会議  2016 

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  • Ab initio and classical molecular-dynamics analysis on interface-modified graphite/resin composite

    JCCM-7  2016 

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  • 折り紙メタマテリアルと銀ナノ粒子印刷技術を用いたチューナブル電波吸収体の作製

    IEEE-HISS 2016  2016 

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  • Controlled Fano resonances via symmetry breaking in metamaterials for high-sensitive infrared spectroscopy

    SPIE Optics + Photonics 2016  2016 

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  • Si,P共添加によるα-Fe2O3アモルファス化の第一原理解析

    2016年度応用物理・物理系学会・中国四国支部合同学術講演会  2016 

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  • Si,P共添加によるα-Fe2O3アモルファス化の第一原理解析

    2016年日本物理学会秋季大会  2016 

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  • Research Topics in Laboratory of Multiscale Device Design in Okayama university

    Seminar at Institute fur Theoretische Physik, Johannes Kepler Univ  2016 

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  • 銀ナノ粒子印刷技術と折り紙構造を用いた電波吸収メタマテリアルの作製

    2016年度応用物理・物理系学会・中国四国支部合同学術講演会  2016 

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  • メタ表面構造を用いた吸音およびエナジーハーべスティングデバイスの設計

    第 61 回 音波と物性討論会/ 第 8回 ナノレオロジー研究会  2016 

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  • モンテカルロ法を用いた日中放射冷却デバイスの構造最適化

    2016年度応用物理・物理系学会・中国四国支部合同学術講演会  2016 

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  • 赤外メタマテリアルの構造対称性制御によるファノ共鳴励起と交差偏光特性

    2016年度応用物理・物理系学会・中国四国支部合同学術講演会  2016 

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  • フレネル法を用いた水中超音波伝搬の光学的可視化

    2016年度応用物理・物理系学会・中国四国支部合同学術講演会  2016 

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  • 3Dプリンタと選択無電解めっきを用いた電磁メタマテリアル作製

    2016年度応用物理・物理系学会・中国四国支部合同学術講演会  2016 

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  • 太陽光照射下における高効率放射冷却デバイスの設計

    第29回計算力学講演会  2016 

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  • メタ表面構造を用いた吸音およびエナジーハーベスティングデバイスの設計

    第29回計算力学講演会  2016 

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  • Design of non-reciprocal acoustic waveguides by indirect interband transitions

    The 37th Symposium on Ultrasonics Electronics (USE 2016)  2016 

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  • Design of composite-structured acoustic metasurface toward wideband energy harvesting

    The 37th Symposium on Ultrasonics Electronics (USE 2016)  2016 

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  • 誘電体多層膜の構造最適化による日中放射冷却デバイスの設計

    IEEE-HISS 2016  2016 

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  • Fano-Resonant Asymmetric Metamaterials for Surface-Enhanced Infrared Molecular Detection

    IEEE-HISS 2016  2016 

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  • Rectification of Lamb wave propagation in thin plates with piezo-dielectric periodic structures

    The 36th Symposium on Ultrasonics Electronics (USE 2015)  2015 

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  • Design of Acoustic Metasurface toward a Perfect Absorber

    The 36th Symposium on Ultrasonics Electronics (USE 2015)  2015 

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  • 機械的剥離法を用いたHfS2原子薄膜の作製と基礎物性の評価

    第62回応用物理学会春季学術講演会  2015 

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  • Design of Acoustic Metasurface toward a Perfect Absorber

    The 36th Symposium on Ultrasonics Electronics (USE 2015)  2015 

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  • 圧電-誘電体周期構造を用いた音響ダイオードの設計

    第62回応用物理学会春季学術講演会  2015 

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  • Rectification of Lamb wave propagation in thin plates with piezo-dielectric periodic structures

    The 36th Symposium on Ultrasonics Electronics (USE 2015)  2015 

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  • 28th JSME Computational Mechanics Division

    2015 

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  • Terahertz Wavefront Control by Graphene Metasurface

    2015 MRS Spring Meeting & Exhibit  2015 

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  • アルミナ結晶中のらせん転位に関する大規模分子動力学解析

    日本金属学会2015年春期講演大会  2015 

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  • 3Dプリンタと無電解めっきを用いた3次元電磁メタマテリアル

    2015年度応用物理・物理系学会・中国四国支部合同学術講演会  2015 

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  • デジタルマイクロミラーデバイスを用いたマスクレス露光装置の構築と光メタマテリアルへの応用

    2015年度応用物理・物理系学会・中国四国支部合同学術講演会  2015 

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  • 音波吸収メタ表面の設計と高効率化

    第28回計算力学講演会  2015 

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  • 音波吸収メタ表面の設計と高効率化

    第76回応用物理学会秋季学術講演会  2015 

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  • 3次元プリンタと無電解めっきを用いた3次元電磁メタマテリアルの作製と評価

    平成27年度 (第66回) 電気・情報関連学会中国支部連合大会  2015 

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  • グラファイト-樹脂界面の特性改質の分子動力学シミュレーション

    第28回計算力学講演会  2015 

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  • Simulating Nanodoping Effect on Materials via Multiscale Methods

    IUMRS-Second International Conference of Young Researchers on Advanced Materials (IUMRS-ICYRAM 2014)  2014 

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  • Terahertz Acoustic Wave on Piezoelectric Semiconductor Film via Large-Scale Molecular Dynamics Simulation

    The 35th Symposium on Ultrasonics Electronics (USE 2014)  2014 

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  • Design and Visualization of Ultrasonic Wave in Phononic Structure for Efficient Energy Transmission

    The 35th Symposium on Ultrasonics Electronics (USE 2014)  2014 

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  • 樹脂製フォノニック結晶による超音波エネルギー輸送・収穫:負の屈折と音響レンズ効果

    第61回応用物理学会春季学術講演会  2014 

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  • 4H-SiC表面の水分解反応:第一原理解析

    第61回応用物理学会春季学術講演会  2014 

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  • Acoustic Wave on Piezoelectric Semiconductor Film via Molecular Dynamics Simulation

    The 15th IUMRS-International Conference in Asia (IUMRS-ICA 2014)  2014 

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  • Dopant Segregation into Screw Dislocation in Alumina: A Hybrid Quantum/Classical Molecular Dynamics Analysis

    The 15th IUMRS-International Conference in Asia (IUMRS-ICA 2014)  2014 

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  • 3C-SiC 表面の水分解素過程に関する第一原理解析

    2014年度第75回応用物理学会秋季学術講演会  2014 

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  • Acoustic Wave on Piezoelectric Semiconductor Film via Molecular Dynamics Simulation

    The 15th IUMRS-International Conference in Asia (IUMRS-ICA 2014)  2014 

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  • Graphene Metasurface for THz Wavefront Control

    JSAP-OSA Joint Symposia 2014  2014 

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  • オーバーサイズ円形導波路内における超音波無線電力伝送

    2014年度第75回応用物理学会秋季学術講演会  2014 

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  • 圧電-誘電体周期構造を用いた音響ダイオードの設計

    平成26年度 (第65回) 電気・情報関連学会中国支部連合大会  2014 

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  • Simulating Nanodoping Effect on Materials via Multiscale Methods

    IUMRS-Second International Conference of Young Researchers on Advanced Materials (IUMRS-ICYRAM 2014)  2014 

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  • アルミナ結晶中のらせん転位近傍へのEr原子偏析: ハイブリッド密度汎関数法/古典分子動力学解析

    日本金属学会2014年春期講演大会  2014 

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  • 圧電性半導体における弾性波伝搬・制御の分子動力学シミュレーション

    第61回応用物理学会春季学術講演会  2014 

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  • グラフェンメタマテリアルの応答解析とTHz 波デバイスへの応用

    2014年度応用物理・物理系学会・中国四国支部合同学術講演会  2014 

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  • 3C-SiC による水分解反応過程と電荷状態解析:第一原理計算

    2014年度応用物理・物理系学会・中国四国支部合同学術講演会  2014 

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  • Dopant Segregation into Screw Dislocation in Alumina: A Hybrid Quantum/Classical Molecular Dynamics Analysis

    The 15th IUMRS-International Conference in Asia (IUMRS-ICA 2014)  2014 

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  • 磁気メタマテリアルを用いたサブ波長TEM モード導波管の設計

    平成26 年度(第65 回) 電気・情報関連学会中国支部連合大会  2014 

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  • 圧電性半導体薄膜における弾性波伝搬・制御の大規模分子動力学シミュレーション

    日本機械学会第27回計算力学講演会  2014 

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  • FDTD法を用いたグラフェン周期構造のテラヘルツ波応答解析

    日本機械学会第27回計算力学講演会  2014 

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  • 水を充填した導波路の内壁構造が弾性波伝搬に与える影響

    日本機械学会第27回計算力学講演会  2014 

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  • Terahertz Acoustic Wave on Piezoelectric Semiconductor Film via Large-Scale Molecular Dynamics Simulation

    The 35th Symposium on Ultrasonics Electronics (USE 2014)  2014 

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  • Design and Visualization of Ultrasonic Wave in Phononic Structure for Efficient Energy Transmission

    The 35th Symposium on Ultrasonics Electronics (USE 2014)  2014 

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  • 圧電周期構造を用いた音響ダイオードの設計

    平成26 年度(第65 回) 電気・情報関連学会中国支部連合大会  2014 

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  • 磁気メタマテリアルを用いたサブ波長TEMモード導波管の設計

    平成26年度 (第65回) 電気・情報関連学会中国支部連合大会  2014 

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  • 圧電周期構造を用いた音響ダイオードの設計

    日本機械学会第27回計算力学講演会  2014 

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  • GaAs結晶表面における弾性波伝搬・制御の大規模分子動力学シミュレーション

    日本機械学会第26回計算力学講演会  2013 

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  • 4H-SiC表面の水分解反応:第一原理解析

    日本機械学会第26回計算力学講演会  2013 

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  • アルミナ結晶中のらせん転位近傍への不純物偏析: ハイブリッド量子/古典分子動力学解析

    日本機械学会第26回計算力学講演会  2013 

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  • フォノニック結晶レンズのFDTD解析と超音波実験

    日本機械学会第26回計算力学講演会  2013 

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  • 4H-SiC表面の水分解反応:第一原理解析

    2013年度応用物理・物理系学会・中国四国支部合同学術講演会  2013 

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  • Segregation Effect on Dislocation in Alumina: A Hybrid Density-functional/Classical Molecular-dynamics Analysis

    JSAP-MRS Joint Symposia 2013  2013 

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  • GaAs結晶表面における弾性波伝搬・制御の分子動力学シミュレーション

    応用物理学会2013秋季大会  2013 

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  • CNT/GaAsヘテロ太陽電池の第一原理電子状態解析

    日本機械学会第26回計算力学講演会  2013 

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  • Doping Effect on Local Electronic States in Carbon Nanotube/GaAs Interface: An Ab-initio Study

    JSAP-MRS Joint Symposia 2013  2013 

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  • Segregation Effect on Dislocation in Alumina: A Hybrid Density-functional/Classical Molecular-dynamics Analysis

    JSAP-MRS Joint Symposia 2013  2013 

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  • Controlling Surface Acoustic Wave on GaAs Crystal via Molecular Dynamics Analysis

    2013 

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  • CNT/GaAsヘテロ界面の第一原理電子状態解析:界面電荷移動と不純物の効果

    日本物理学会 第68回年次大会  2013 

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  • Doping Effect on Local Electronic States in Carbon Nanotube/GaAs Interface: An Ab-initio Study

    JSAP-MRS Joint Symposia 2013  2013 

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  • アルミナ結晶中の転位近傍への不純物偏析:ハイブリッド量子/古典分子動力学解析

    2013年度応用物理・物理系学会・中国四国支部合同学術講演会  2013 

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  • アルミナ結晶中の転位近傍への添加元素偏析:ハイブリッド量子/古典分子動力学解析

    日本物理学会 第68回年次大会  2013 

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  • Large-scale Molecular Dynamics on Screw Dislocation in Alumina

    The 3rd International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC3)  2012 

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  • Simulating Nanodoping Effect on Materials via Multiscale Methods

    USC-DOE Conference on "Materials Genome: Simulations, Synthesis, Characterization and Manufacturing"  2012 

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  • Controlling Acoustic Wave Propagation on Semiconductor Surface : Large-Scale Molecular Dynamics Simulation

    IUMRS International Conference on Electronic Materials 2012 (IUMRS-ICEM2012)  2012 

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  • Stability of Screw Dislocation in Alumina: A Large-scale Molecular Dynamics Study

    IUMRS International Conference on Electronic Materials 2012 (IUMRS-ICEM2012)  2012 

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  • Density functional calculations of oxygen-vacancy formation at a sigma13 grain boundary in Y-doped alpha-alumina

    IUMRS International Conference on Electronic Materials 2012 (IUMRS-ICEM2012)  2012 

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  • Ab-initio Study of Doping Effect on Optical Response of Graphite Nanotube

    IUMRS International Conference on Electronic Materials 2012 (IUMRS-ICEM2012)  2012 

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  • Characteristics of RF-DC Conversion Circuit for Wireless Power Transmission using the Low Resistance GaN Schottky Barrier Diode

    2012 International Symposiumu on Antennas and Propagation (ISAP2012)  2012 

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  • Frequency Characteristic of Transmission Efficiency Depended on Matching Condition of Transducer in Ultrasonic Wireless Power Transmission System

    2012 International Symposiumu on Antennas and Propagation (ISAP2012)  2012 

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  • Controlling Acoustic Wave Propagation on Semiconductor Surface : Large-Scale Molecular Dynamics Simulation

    IUMRS International Conference on Electronic Materials 2012 (IUMRS-ICEM2012)  2012 

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  • An Investigation for Optimum Design of Matching Circuit in Highly Efficient RF-DC Conversion Circuit by Genetic Algorithm

    2012 International Symposiumu on Antennas and Propagation (ISAP2012)  2012 

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  • Propagation of THz Acoustic Wave on Nanostructured Semiconductor Surface: Large-scale Molecular Dynamics Simulation

    Materials Research Society 2012 Fall Meeting  2012 

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  • Stability and Doping Effect on Dislocation in Alumina: Large-scale Molecular Dynamics and Hybrid Density-functional/Molecular-dynamics Analyses

    Materials Research Society 2012 Fall Meeting  2012 

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  • アルミナ結晶中のらせん転位の安定性に関する大規模分子動力学解析

    日本機械学会第25回計算力学講演会  2012 

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  • シリカガラス中 2 次元フォノニック構造における弾性波伝搬のFDTD 解析

    日本機械学会第25回計算力学講演会  2012 

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  • 第一原理計算による CNT/GaAs ヘテロ界面の電子状態解析

    日本機械学会第25回計算力学講演会  2012 

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  • 半導体・セラミックス中の粒界偏析のハイブリッドMC/MD シミュレーション

    日本機械学会第25回計算力学講演会  2012 

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  • RF-DC変換回路におけるダイオードの等価回路的動作に関する検討

    平成24年度 (第63回) 電気・情報関連学会中国支部連合大会  2012 

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  • 近傍界測定システムによる3m法放射界推定の検討

    平成24年度 (第63回) 電気・情報関連学会中国支部連合大会  2012 

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  • Characteristics of RF-DC Conversion Circuit for Wireless Power Transmission using the Low Resistance GaN Schottky Barrier Diode

    2012 International Symposiumu on Antennas and Propagation (ISAP2012)  2012 

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  • Frequency Characteristic of Transmission Efficiency Depended on Matching Condition of Transducer in Ultrasonic Wireless Power Transmission System

    2012 International Symposiumu on Antennas and Propagation (ISAP2012)  2012 

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  • Simulating Nanodoping Effect on Materials via Multiscale Methods

    USC-DOE Conference on "Materials Genome: Simulations, Synthesis, Characterization and Manufacturing"  2012 

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  • ⾼周波整流⽤GaNダイオードを⽤いたRF-DC変換回路の特性

    電子情報通信学会2012年総合大会  2012 

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  • 遺伝的アルゴリズムを⽤いたRF-DC変換回路の⾃動設計

    電子情報通信学会2012年総合大会  2012 

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  • Stability and Doping Effect on Dislocation in Alumina: Large-scale Molecular Dynamics and Hybrid Density-functional/Molecular-dynamics Analyses

    Materials Research Society 2012 Fall Meeting  2012 

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  • An Investigation for Optimum Design of Matching Circuit in Highly Efficient RF-DC Conversion Circuit by Genetic Algorithm

    2012 International Symposiumu on Antennas and Propagation (ISAP2012)  2012 

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  • 構造材料のマルチスケールシミュレーション

    産業科学ナノテクノロジーセンター「第3回若手セミナー」  2012 

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  • Propagation of THz Acoustic Wave on Nanostructured Semiconductor Surface: Large-scale Molecular Dynamics Simulation

    Materials Research Society 2012 Fall Meeting  2012 

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  • ソニック結晶による音響レンズ効果とエネルギー輸送効率Ⅲ:屈折率分布型レンズ構造の基礎検討

    応用物理学会2012春季大会  2012 

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  • 半導体結晶表面における弾性波伝搬制御:大規模分子動力学シミュレーション

    応用物理学会2012春季大会  2012 

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  • シリーズ形およびシャント形RF-DC変換回路の特性に関する考察

    電子情報通信学会2012年総合大会  2012 

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  • トランスデューサの共振周波数および反共振周波数における超音波による無線電力伝送効率

    応用物理学会2012春季大会  2012 

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  • 超音波無線送電のための高効率・広帯域トランスデューサの設計

    日本機械学会第25回計算力学講演会  2012 

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  • Si 結晶の表面弾性波伝搬制御に関する分子動力学解析

    日本機械学会第25回計算力学講演会  2012 

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  • Density functional calculations of oxygen-vacancy formation at a sigma13 grain boundary in Y-doped alpha-alumina

    IUMRS International Conference on Electronic Materials 2012 (IUMRS-ICEM2012)  2012 

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  • ナノ機能元素添加効果のマルチスケールシミュレーション

    科研費特定領域研究「機能元素のナノ材料科学」最終成果報告会  2012 

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  • Large-scale Molecular Dynamics on Screw Dislocation in Alumina

    The 3rd International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC3)  2012 

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  • 超音波無線送電のための高効率・広帯域トランスデューサの設計

    応用物理学会2012秋季大会  2012 

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  • Si 結晶の表面弾性波伝搬制御に関する分子動力学解析

    応用物理学会2012秋季大会  2012 

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  • Stability of Screw Dislocation in Alumina: A Large-scale Molecular Dynamics Study

    IUMRS International Conference on Electronic Materials 2012 (IUMRS-ICEM2012)  2012 

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  • アルミナ結晶中らせん転位の安定性に関する有限温度分子動力学解析

    日本金属学会2012年秋期大会  2012 

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  • Ab-initio Study of Doping Effect on Optical Response of Graphite Nanotube

    IUMRS International Conference on Electronic Materials 2012 (IUMRS-ICEM2012)  2012 

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  • Si 表面付近の原子空孔間相互作用:タイトバインディング分子動力学シミュレーション

    日本MRS 第21回学術シンポジウム  2011 

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  • Ab-initio Simulation for Structure and Optical Response of Gemini-HBC

    The 28th Japan-Korea International Seminar on Ceramics  2011 

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  • Diffusion Processes of Lithium Atom in Carbon-based Anode Material for Lithium-ion Secondary Battery: An Ab-initio Study

    The 28th Japan-Korea International Seminar on Ceramics  2011 

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  • DFT計算によるシリコン単原子空孔のスピン軌道相互作用の検討

    日本物理学会第66回春季年次大会  2011 

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  • ソニック結晶による超音波の音響レンズ効果とエネルギー輸送効率

    第58回応用物理学関係連合講演会  2011 

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  • Development of Highly Efficient Transducer for Wireless Power Transmission System by Ultrasonic

    2011 IEEE MTT-S International Microwave Workshop Series(IEEE IMWS-IWPT 2011)  2011 

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  • Multiscale Material Simulations for Segregation Dynamics of Nanodopants

    2011 International Conference on Computational & Experimental Engineering and Sciences (ICCES'11)  2011 

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  • 4H-SiC 結晶中転位の構造と電子状態:タイトバインディング・シミュレーション

    応用物理学会 日本物理学会 中国・四国支部 2011年度 支部学術講演会  2011 

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  • Acoustic Lens using Sonic Crystal for Energy-Transmission Applications

    2011 IEEE MTT-S International Microwave Workshop Series(IEEE IMWS-IWPT 2011)  2011 

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  • 高効率トランスデューサによる超音波無線電力伝送実験

    2011秋季 第72回応用物理学会学術講演会  2011 

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  • 4H-SiC 結晶中転位・積層欠陥の電子状態と不純物効果:O(N)タイトバインディングおよび古典/第一原理ハイブリッド解析

    2011秋季 第72回応用物理学会学術講演会  2011 

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  • |Interaction of Atomic Vacancy of Si near Surface: A Tight-binding Molecular Dynamics Study

    2011 

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  • Acoustic Lens Effect and Energy-Transmission Efficiency using Sonic Crystal II: An Optimization via Multilayer Structure

    2011 

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  • 4H-SiC結晶中転位ループの構造と電子状態:O(N)タイトバインディング解析

    第58回応用物理学関係連合講演会  2011 

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  • Si 結晶中の原子空孔間相互作用に関する大規模分子動力学解析

    日本機械学会第24回計算力学講演会  2011 

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  • Gemini-HBC の構造と光応答に関する第一原理シミュレーション

    日本機械学会第24回計算力学講演会  2011 

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  • マルチスケール手法によるナノ機能元素材料解析

    日本金属学会 2011年秋期講演大会 S1機能元素のナノ材料科学  2011 

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  • 第一原理計算及びハイブリッド法による Li イオン二次電池負極炭素材料中の拡散挙動解析

    日本機械学会第24回計算力学講演会  2011 

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  • 第一原理計算及びハイブリッド量子古典 MD 法による Li イオン二次電池負極炭素材料中の拡散挙動解析

    日本金属学会 2011年秋期講演大会 S1機能元素のナノ材料科学  2011 

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  • アルミナ結晶中のらせん転位に関する大規模分子動力学解析

    日本金属学会 2011年秋期講演大会 S1機能元素のナノ材料科学  2011 

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  • Large-scale Molecular Dynamics Study of Dislocations in Alumina

    The 28th Japan-Korea International Seminar on Ceramics  2011 

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  • Gemini-HBC の構造と光応答に関する第一原理シミュレーション

    日本金属学会 2011年秋期講演大会 S1機能元素のナノ材料科学  2011 

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  • フォノニック結晶による超音波の音響レンズ効果とエネルギー輸送効率

    日本機械学会第24回計算力学講演会  2011 

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  • 半導体結晶表面における弾性波伝搬の大規模分子動力学シミュレーション

    日本機械学会第24回計算力学講演会  2011 

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  • ソニック結晶による音響レンズ効果とエネルギー輸送効率Ⅱ:構造多層化による最適化の検討

    2011秋季 第72回応用物理学会学術講演会  2011 

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  • Electronic State and Impurity Effect on Dislocations and Stacking Faults in 4H-SiC:O(N) Tight-binding and Hybrid Classical/Ab Initio Studies

    2011 

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  • Structures and Local Electronic States of Dislocation Loop in 4H-SiC via an O(N) Tight-binding Study

    2011 

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  • Analyses on spin-orbit coupling effects of a silicon single vacancy via DFT calculations

    2011 

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  • Acoustic Lens Effect and Energy-Transmission Efficiency via Sonic Crystal

    2011 

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  • Experiments of Wireless Power Transmission by Ultrasonic using Highly Efficient Transducers

    2011 

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  • Ab-initio evaluation of quadrupole moment associated with silicon mono-vacancy

    The Forum on the Science and Technology of Silicon Materials 2010  2010 

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  • 双子座型HBCの構造と光応答に関する第一原理シミュレーション

    第12回IEEE広島学生シンポジウム(HISS)  2010 

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  • アルミナ結晶中の転位に関する大規模分子動力学解析

    日本MRS 第20回学術シンポジウム  2010 

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  • Interaction of Si Vacancies at Finite Temperature: A Tight-Binding Study

    The Forum on the Science and Technology of Silicon Materials 2010  2010 

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  • Large-scale molecular dynamics study of dislocations in Alumina

    2010 

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  • Evaluation of quadrupole moment of the localized orbital around silicon vacancy from DFT calculations

    2010 

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  • Structures and Local Electronic States of Dislocation Loop in 4H-SiC via a Linear-scaling Tight-binding Study

    2010 

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  • 電磁メタマテリアルのFDTD解析: 多層ナノ構造中の電磁分散および光共振特性

    日本金属学会2010春期講演大会  2010 

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  • 酸化物セラミックスの転位偏析に関するマルチスケール解析

    日本物理学会第65回年次大会  2010 

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  • Negative Refraction in Phononic Crystal: Acoustic Lens Effect and Energy-Transmission Efficiency

    2010 

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  • Parallel FDTD Simulations on Optical and Acoustic Memataterials

    9th World Congress on Computational Mechanics and 4th Asian Pacific Congress on Computational Mechanics  2010 

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  • Analyses on localized electron orbitals around a silicon single vacancy via DFT calculations

    2010 

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  • Localized electronic state of silicon monovacancy via ab initio calculations

    2010 

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  • DFT 計算による原子空孔局在軌道の四極子モーメントの計算

    日本MRS 第20回学術シンポジウム  2010 

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  • 第一原理計算によるシリコン単原子空孔の局在電子状態

    応用物理学会2010秋季学術講演会  2010 

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  • フォノニック結晶による負の屈折:音響レンズ効果とエネルギー輸送効率

    応用物理学会2010秋季学術講演会  2010 

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  • O(N)タイトバインディング法による4H-SiC 結晶中の転位構造の解析

    日本金属学会2010秋期講演大会  2010 

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  • DFT計算によるシリコン単原子空孔の局在電子軌道の解析

    日本物理学会2010秋季大会  2010 

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  • シリコン酸窒化物の誘電率の分子動力学計算:組成比と微視構造の影響

    第30 回エレクトロセラミックス研究討論会  2010 

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  • α−アルミナ結晶中の転位に関する大規模分子動力学解析

    日本金属学会2010秋期講演大会  2010 

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  • 酸化物セラミックスの転位偏析に関するマルチスケール解析

    日本金属学会2010春期講演大会  2010 

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  • 4H-SiC結晶中の点欠陥に関するタイトバインディングシミュレーション

    日本金属学会2010春期講演大会  2010 

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  • Parallel FDTD Simulations on Optical and Acoustic Memataterials

    9th World Congress on Computational Mechanics and 4th Asian Pacific Congress on Computational Mechanics  2010 

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  • 高効率エナジーハーベスティングのためのメタマテリアルの利用

    「メタマテリアルの開発と応用」2010年度第1回研究会  2010 

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  • Si原子空孔の大規模第一原理計算

    特進・ナノエレ・ベンチャー合同研究会  2010 

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  • O(N) タイトバインディング法による4H-SiC 中の転位ループに関する解析

    日本MRS 第20回学術シンポジウム  2010 

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  • 電磁メタマテリアルによる光閉じ込め構造のFDTDシミュレーション

    日本機械学会第22回計算力学講演会・オーザナイズドセッション「フォトニック・フォノニック構造の設計とシミュレーション」  2009 

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  • 2 次元フォノニック結晶の音波伝搬シミュレーション;負の屈折とレンズ効果

    日本機械学会第22回計算力学講演会日本機械学会第22回計算力学講演会・オーザナイズドセッション「フォトニック・フォノニック構造の設計とシミュレーション」  2009 

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  • Density-Functional Analysis on Vacancy Oribital and its Elastic Response of Silicon

    Materials Research Society 2009 Fall Meeting, Symposium "Reliability and Materials Issued of Semiconductor Optical and Electrical Devices"  2009 

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  • ハイブリッド量子/古典分子動力学法によるアルミナ転位運動と添加元素効果解析

    日本機械学会第22回計算力学講演会・オーザナイズドセッション「固体物理/流体物理のマルチフィジックス/マルチスケール解析」  2009 

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  • 電磁メタマテリアルによる光閉じ込め構造のFDTDシミュレーション

    科研費・特定領域研究「機能元素のナノ材料科学」第2回若手の会  2009 

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  • マルチスケール・ナノ材料解析:格子不整合領域のダイナミクスと機能元素挙動

    科研費・特定領域「機能元素のナノ材料科学」第2回公開シンポジウム  2009 

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  • 4H-SiC結晶中の点欠陥に関するタイトバインディングシミュレーション

    科研費・特定領域研究「機能元素のナノ材料科学」第2回若手の会  2009 

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  • FTDT法による2次元フォノニック結晶の音波伝搬シミュレーション:構造複合化の効果

    科研費・特定領域研究「機能元素のナノ材料科学」第2回若手の会  2009 

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  • シリコン中の局在欠陥軌道の第一原理的評価と弾性定数ソフト化

    日本物理学会 2009年秋季大会(25aPS-131)  2009 

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  • アルミナ中の転位運動と添加元素効果:ハイブリッド量子/古典分子動力学

    日本セラミックス協会 第22回秋季シンポジウム「機能元素のナノ材料科学」  2009 

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  • 分岐したスピン鎖におけるエンタングルメントの生成とノイズの影響

    日本物理学会 2009年秋季大会(26pZE-6)  2009 

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  • 量子古典ハイブリッド手法によるナノ構造材料の力学物性・電磁応答解析

    第18回日本MRS学術シンポジウム・セッションJ「計算機シミュレーションによる格子欠陥やナノ構造の解明:新規材料創製を目指して」  2009 

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  • Parallel FDTD Simulations on Optical and Acoustic Memataterials

    Materials Research Society 2009 Fall Meeting, Symposium "Metamaterials--From Modeling and Fabrication to Application"  2009 

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  • FDTD法による2次元フォノニック結晶の音波伝搬シミュレーションII:構造複合化の効果

    日本金属学会 2009年 春期大会,公募シンポジウム S4 機能元素のナノ材料科学  2009 

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  • RC-FDTD法によるナノ構造メタマテリアルの電磁界シミュレーション

    日本金属学会 2009年 春期大会,公募シンポジウム S5 計算材料科学のフロンティア:新たな飛躍を目指して  2009 

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  • Hybrid Quatum/Classical Approaches to Nano- and Meta-Materials

    2009 International Conference on Computational & Experimental Engineering and Sciences (ICCES'09)  2009 

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  • α-アルミナ結晶中の積層欠陥と転位の分子シミュレーション

    日本金属学会 2009年 春期大会,公募シンポジウム S4 機能元素のナノ材料科学  2009 

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  • 機能元素のナノ材料科学に対するマルチスケール計算科学的アプローチ

    日本金属学会 2009年春期講演大会 S4機能元素のナノ材料科学  2009 

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  • シリコン結晶中原子空孔の歪み場・弾性特性の解析:古典及び半経験的タイトバインディング分子動力学

    日本物理学会 第64回年次大会  2009 

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  • 電磁メタマテリアルによる光閉じ込め構造のFDTDシミュレーション

    日本金属学会 2009年 春期大会,公募シンポジウム S4 機能元素のナノ材料科学  2009 

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  • 電磁メタマテリアルにおけるエバネセント波増幅特性:並列FDTDシミュレーション

    日本鉄鋼協会・日本金属学会中国四国支部第15回「若手フォーラム」  2008 

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  • Ni表面における炭素原子挙動:タイトバインディングシミュレーション

    日本鉄鋼協会・日本金属学会中国四国支部第15回「若手フォーラム」  2008 

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  • 2次元フォノニック結晶界面における音波の負の屈折:FDTDシミュレーション

    日本鉄鋼協会・日本金属学会中国四国支部第15回「若手フォーラム」  2008 

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  • 古典写像法による2次元電子系の解析:有限温度の場合

    日本物理学会 第63回年次大会 (23aTE-6)  2008 

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  • 原子空孔を含むSi結晶の弾性定数の温度依存性:TBMDおよびDFT解析

    日本物理学会 第63回年次大会 (24pYF-6)  2008 

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  • 古典写像法による電子系の解析:2次元有限系の Wigner 結晶化

    日本物理学会 2008年秋季大会 (22pRB-5)  2008 

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  • シリコン単原子空孔の大規模第一原理計算:従来の知見の再検証

    日本物理学会 2008年秋季大会 (21pRB-5)  2008 

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  • シリコン単原子空孔の基底状態の再検討

    日本物理学会 2008年秋季大会 (21aRB-10)  2008 

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  • 2次元フォノニック結晶における音波伝播の FDTD シミュレーション

    特定領域研究「機能元素のナノ材料科学」第一回若手の会  2008 

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  • ナノ構造メタマテリアルの並列 FDTD シミュレーション

    日本金属学会 2008年春期(第142回)講演大会, S3 機能元素のナノ材料科学  2008 

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  • Hybrid quantum/classical molecular dynamics for impurity-segregated nanostructures

    The 1st International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC1)  2008 

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  • 並列 FDTD シミュレーション法を用いたメタマテリアルの電磁界解析

    特定領域研究「機能元素のナノ材料科学」第一回若手の会  2008 

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  • アルミナ結晶中の積層欠陥形成過程の分子シミュレーション

    2008年度 応用物理学会中四国支部学術講演会 (Dp-03)  2008 

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  • 分散型DNGメタマテリアルによる光閉じ込め構造:FDTDシミュレーション

    2008年度 応用物理学会中四国支部学術講演会 (Bp-08)  2008 

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  • スピン鎖による情報伝達とエンタングルメント生成

    日本物理学会 2008年秋季大会 (20pZD-10)  2008 

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  • Finite two-dimensional systems of electrons at zero and finite temperatures: simulations based on classical-map hypernetted chain method

    14th International Congress on Plasma Physics (ICPP2008)  2008 

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  • ナノ構造メタマテリアルの並列 FDTD シミュレーションII:ナノ微粒子サイズ効果の影響

    日本金属学会 2008年 秋期大会,公募シンポジウム S2 機能元素のナノ材料科学  2008 

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  • α-Al2O3 の欠陥と不純物挙動に関するマルチスケール解析:ハイブリッド量子/古典分子動力学計算

    日本金属学会 2008年 秋期大会,公募シンポジウム S2 機能元素のナノ材料科学  2008 

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  • タイトバインディング法を用いた炭素固溶 Ni 結晶のモンテカルロシミュレーション

    日本金属学会 2008年 秋期大会,公募シンポジウム S2 機能元素のナノ材料科学  2008 

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  • 2次元フォノニック結晶における音波伝搬の FDTD シミュレーション

    日本金属学会 2008年 秋期大会,公募シンポジウム S2 機能元素のナノ材料科学  2008 

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  • 古典写像法による電子系の解析:2次元2層系のスピン分極

    日本物理学会第62回年次大会 (22aWA-9)  2007 

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  • 炭化珪素ナノワイヤ/アモルファス複合材料の大規模 TBMD シミュレーション

    日本金属学会2007年春期講演大会 シンポジウムS8 機能元素状態解析の新展開:ナノテク基盤から実材料開発へ (S8・17)  2007 

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  • クーロンおよび湯川クラスターの振動スペクトル

    日本物理学会 2007年春季大会 (19pQE-16)  2007 

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  • 分子シミュレーションにおけるマルチスケール化の試み:特に時間領域について

    研究会 Functional Aspects of Biological Macro-Molecules and Their Dynamical Mechanisms  2007 

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  • ハイブリッド MD/TBMD シミュレーションによる Si 結晶欠陥中の水素原子の挙動解析

    日本金属学会2007年春期講演大会 シンポジウムS8 機能元素状態解析の新展開:ナノテク基盤から実材料開発へ (S8・18)  2007 

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  • 半導体欠陥中の不純物挙動:ハイブリッド量子・古典分子動力学シミュレーション

    日本金属学会中国四国支部・第100回記念・金属物性研究会  2007 

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  • Multiscale molecular dynamics for nanophase and nanocomposite materials

    International Symposium on Plasticity 2007, Symposium SuM-1 "Interfaces and Composite Materials under Harsh Conditions I"  2007 

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  • Si原子空孔の大規模第一原理・分子動力学計算

    第68回応用物理学会秋季学術講演会 (5p-ZN-5), シンポジウム 「機能デバイスを支えるシリコン結晶基盤技術― 次世代ULSIから環境デバイスまで ― 」  2007 

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  • FDTD 法による分散型DNG 媒質の電磁界解析:電磁界イメージの再焦点化

    応用物理学会 中国四国支部, 日本物理学会 中国支部・四国支部, 日本物理教育学会 中国四国支部, 2007 年度 支部学術講演会 (Fp-2)  2007 

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  • 2次元電子系の基底状態:古典写像法を用いた分子動力学シミュレーション

    日本物理学会 2007年春季大会 (19pWB-10)  2007 

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  • Large-scale ab-initio/molecular-dynamics study on Si vacancy

    THE FORUM ON THE SCIENCE AND TECHNOLOGY OF SILICON MATERIALS 2007  2007 

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  • Si結晶中原子空孔の電子状態と振動モード:第一原理およびタイトバインディング計算

    日本物理学会第62回年次大会 22pTD-10)  2007 

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  • Large-scale FDTD Simulations on Optical and Acoustic Metamaterials

    APCOM'07/EPMESC XI, Mini-symposium "Ultrascale Hierarchical Simulations on High-End Parallel and Distributed Computers"  2007 

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  • 炭化珪素ナノワイヤ/アモルファス複合材料の破壊過程大規模TBMD シミュレーション

    日本金属学会, 複合材料 Composite Materials (1), (620), 2007年秋期(第141回)大会  2007 

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  • 古典写像法による電子系の解析:2次元有限系のスピン分極

    日本物理学会第62回年次大会 (22aWA-11)  2007 

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  • 確率差分方程式に基づく長時間分子動力学シミュレーション

    日本金属学会,2006年秋季講演大会,計算科学・材料設計(Computational Materials Science)  2006 

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  • Si結晶中の点欠陥について:計算機シミュレーションによる考察

    科研費・特別推進研究「電荷揺らぎに由来する強相関量子相の研究」第2回研究会  2006 

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  • ナノ構造 Si 中の水素原子拡散:ハイブリッド MD/TBMD シミュレーション

    日本金属学会, 2006年秋期大会, シンポジウム S4 ナノ構造設計によるセラミックス材料の新展開(2)  2006 

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  • ダイヤモンド結晶中転位・粒界への Ni 原子偏析過程の Tight-Binding 分子動力学解析

    日本金属学会2006年秋期大会・シンポジウムS5ナノ構造設計によるセラミックス材料の新展開  2006 

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  • Si結晶中の水素原子拡散:ハイブリッドMD/TBMDシミュレーション

    日本物理学会2006年秋季大会  2006 

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  • カーボンナノチューブ/Ni界面のタイトバインディング分子動力学シミュレーション

    日本物理学会2006年秋季大会  2006 

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  • Multiscale Simulations of Impurity Segregation in Nanostructured Materials

    The Second IEEE/ACM International Workshop on High Performance Computing for Nano-science and Technology (HPCNano06)  2006 

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  • 3次元湯川クラスターの融解に関する粒子シミュレーション

    日本物理学会 2006年秋季大会 (26aQB-11)  2006 

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  • Multiscale Molecular Dynamics Simulations of Nanostructured Materials

    THERMEC 2006--International Conference on Processing & Manufacturing of Advanced Materials  2006 

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  • Dynamics of melting of spherical Yukawa and Coulomb clusters

    WORKSHOP ON NON-NEUTRAL PLASMAS  2006 

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  • 量子電子液体に対する古典写像法におけるパラメータの検討

    日本物理学会 第61回年次大会 (28aXH-11)  2006 

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  • Melting of spherical Yukawa and Coulomb clusters

    7th Workshop on Fine Particle Plasmas, Generation, Growth, Behavior, and Control of Fine Particles in Plasmas, O - 6  2006 

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  • 微小重力下においてプラズマ中微粒子の形成するクラスターの構造と融解:シミュレーションと理論

    日本マイクログラビティ応用学会 第22回学術講演会 (JASMAC-22), A136  2006 

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  • 微小重力を含む等方的環境における微粒子クラスターの融解シミュレーション

    日本物理学会 第61回年次大会 (27aUC-8)  2006 

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  • ダイヤモンド中の Ni 関連欠陥の電子状態と磁気特性:Tight-Binding 分子動力学解析

    日本金属学会, 2006年春期(第138回)大会, シンポジウム S4 ナノ構造設計によるセラミックス材料の新展開  2006 

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  • Si結晶粒界のTBMDおよびハイブリッドMD/TBMDシミュレーション:電子状態の局在性および水素拡散

    日本物理学会 第60回年次大会  2005 

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  • 分子動力学法による微小重力下のダスト粒子の構造解析

    日本物理学会 第60回年次大会  2005 

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  • シェルモデルによる微小重力下のダストプラズマの構造解析

    日本物理学会 2005年秋季大会  2005 

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  • Simulating Impurity-Segregated Nanostructures and Thin-Film Formation via Multisclae Molecular-Dynamics Approaches

    Invited Seminar at Center for Nanotechnology, NASA Ames Research Center.  2005 

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  • 2次元有限領域の電子液体の古典写像法による解析

    日本物理学会 2005年秋季大会  2005 

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  • 確率差分方程式に基づく超長時間スケールの分子動力学シミュレーション

    第7回IEEE広島学生シンポジウム  2005 

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  • ダスト粒子の球状クラスターの構造解析

    第7回IEEE広島学生シンポジウム  2005 

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  • 2次元有限領域の電子液体の分布

    第7回IEEE広島学生シンポジウム  2005 

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  • グラファイト/C60複合系ナノ・ベアリングの分子シミュレーション

    第7回IEEE広島学生シンポジウム  2005 

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  • タイトバインディング法によるナノ構造中の電子伝搬特性の解析

    日本物理学会 中国支部・四国支部、応用物理学会 中国四国支部, 2005年度支部学術講演会  2005 

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  • タイトバインディング分子動力学法によるダイアモンド中のNi原子の磁気特性の解析

    日本物理学会 中国支部・四国支部、応用物理学会 中国四国支部, 2005年度支部学術講演会  2005 

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  • 水素原子を添加したSi結晶のタイトバインディングおよびハイブリッド量子/古典分子動力学シミュレー ション

    日本物理学会 中国支部・四国支部、応用物理学会 中国四国支部, 2005年度支部学術講演会  2005 

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  • 2次元有限領域の電子液体の古典写像法による解析

    日本物理学会 中国支部・四国支部、応用物理学会 中国四国支部, 2005年度支部学術講演会  2005 

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  • Simulating Impurity-Segregated Nanostructures and Thin-Film Formation via Multisclae Molecular-Dynamics Approaches

    International Conference on Computational and Experimental Engineering and Science, Symposium Materials by Design: Nano to Micro Scale Simulations and Experiments  2005 

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  • グリーン関数と時間依存シュレーディンガー方程式によるナノ構造中の電子伝搬特性の解析

    第7回IEEE広島学生シンポジウム  2005 

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  • ダイヤモンド中のNi関連欠陥:タイトバインディング分子動力学シミュレーション

    第16回日本MRS学術シンポジウム, Session O「ナノ界面の新機能-化学的・機械的・電子的機能の解明と設計」  2005 

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  • グラファイト/C60複合系ナノ・ベアリングの分子シミュレーション

    第16回日本MRS学術シンポジウム, Session O「ナノ界面の新機能-化学的・機械的・電子的機能の解明と設計」  2005 

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  • Structure formation of Yukawa (dust) particles in dusty plasmas in an isotropic environment

    6th Workshop on Fine Particle Plasmas (第6回微粒子プラズマ研究会)  2005 

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  • Melting of Yukawa clusters of dust particles in dusty plasmas

    6th Workshop on Fine Particle Plasmas (第6回微粒子プラズマ研究会)  2005 

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  • 並列FDTD 法によるフォトニック結晶導波路の構造最適化

    第7回IEEE広島学生シンポジウム  2005 

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  • 水素原子を添加したSi 結晶のハイブリッド量子/古典分子動力学シミュレーション

    第7回IEEE広島学生シンポジウム  2005 

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  • Ni 原子を添加したダイヤモンドの電子状態と磁気特性: タイトバインディング分子動力学シミュレーション

    第7回IEEE広島学生シンポジウム  2005 

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  • グラファイト/C60複合系における動摩擦過程のモンテカルロ・シミュレーション

    日本物理学会 中国支部・四国支部、応用物理学会 中国四国支部, 2005年度支部学術講演会  2005 

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  • Si結晶粒界のTBMDおよびハイブリッドMD/TBMDシミュレーション:電子状態の局在性および水素拡散

    日本金属学会 2005年春期大会  2005 

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  • タイトバインディング法による半導体ナノ構造中の電子ダイナミクス

    日本物理学会 第60回年次大会  2005 

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  • 並列FDTD法による大規模電磁界シミュレーション:フォトニック結晶への応用

    第24回 日本シミュレーション学会大会  2005 

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  • Structure and dynamics of spherical Yukawa clusters

    International Conference on Strongly Coupled Coulomb Systems (SCCS 2005)  2005 

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  • 確率差分方程式による超長時間分子動力学シミュレーション:Cu基板上の膜形成過程への適用検討

    日本物理学会 中国支部・四国支部、応用物理学会 中国四国支部, 2005年度支部学術講演会  2005 

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  • Parallel TBMD, Hybrid Classical/TB-MD, and their Application to Interfacial Phenomena in Nanostructured Semiconductors

    Second International Conference on Multiscale Materials Modeling  2004 

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  • セラミックス・半導体ナノ微粒子系の界面現象のシミュレーション

    第14回 格子欠陥フォーラム -固体強度に関するモデリングとシミュレーション-  2004 

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  • Structure Formation in Dusty Plasmas under Microgravity

    Generation, Growth, Behavior, and their Control of Fine Particles in Plasmas -5th Workshop on Fine Particle Plasmas-第5回微粒子プラズマ研究会- プラズマ中微粒子の発生・成長と挙動、およびその制御  2004 

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  • 半導体ナノワイヤにおける電子ダイナミクス

    日本物理学会 第59回年次大会  2004 

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  • Si および SiC 粒界の安定性解析:MD, TBMD,およびハイブリッド MD/TBMD シミュレーション

    日本セラミックス協会 2004年年会  2004 

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  • タイトバインディング法によるシリコンナノワイヤの電子伝導

    日本物理学会中国支部・四国支部、応用物理学会中国四国支部物理教育学会四国連絡会議 2004年度支部学術講演会  2004 

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  • クーロンクラスターの大規模分子動力学シミュレーション:有限温度解析

    日本物理学会中国支部・四国支部、応用物理学会中国四国支部物理教育学会四国連絡会議 2004年度支部学術講演会  2004 

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  • 計算グリッドを活用した並列TBMDおよびハイブリッドMD/TBMDシミュレーション:粒界安定性解析への応用

    日本セラミックス協会 第17回秋季シンポジウム  2004 

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  • 分子動力学法による微小重力系ダスト粒子の構造解析

    日本物理学会中国支部・四国支部、応用物理学会中国四国支部物理教育学会四国連絡会議 2004年度支部学術講演会  2004 

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  • 並列 TBMD およびハイブリッド MD/TBMD 法による Si 結晶粒界安定性と水素拡散

    日本金属学会 2004年秋期大会  2004 

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  • ナノ多結晶体シミュレーションの現状と課題

    ナノ材料のマルチスケールデザイン  2004 

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  • 確率差分方程式による密度汎関数分子動力学法の高速化の検討

    日本物理学会中国支部・四国支部、応用物理学会中国四国支部物理教育学会四国連絡会議 2004年度支部学術講演会  2004 

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  • タイトバインディング分子動力学法によるSi結晶中の水素拡散の解析

    日本物理学会 第59回年次大会  2004 

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  • タイトバインディング分子動力学法によるSi結晶およびSi粒界中の水素拡散の解析

    日本物理学会中国支部・四国支部、応用物理学会中国四国支部物理教育学会四国連絡会議 2004年度支部学術講演会  2004 

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  • タイトバインディング分子動力学法によるNiクラスターの解析

    日本物理学会中国支部・四国支部、応用物理学会中国四国支部物理教育学会四国連絡会議 2004年度支部学術講演会  2004 

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  • グラファイト/C60 複合系における動摩擦過程のモンテカルロシミュレーション

    日本物理学会中国支部・四国支部、応用物理学会中国四国支部物理教育学会四国連絡会議 2004年度支部学術講演会  2004 

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  • SiおよびSiC粒界の安定性解析:MD/TBMDシミュレーション

    日本セラミックス協会2003年年会  2003 

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  • SiおよびSiCのナノ構造における粒界形成と安定性:並列TBMDおよびハイブリッドMD/TBMDシミュレーション

    日本物理学会2003年秋季大会  2003 

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  • SiおよびSiC微粒子間接合界面のMD/TBMDシミュレーション

    日本金属学会2003年春季(第132回)大会  2003 

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  • Stability of High-Energy Grain Boundaries in Nanocrystalline Si and SiC: Parallel MD, Tight-Binding MD, and Hybrid Tight-Binding/Classical MD Studies

    Materials Research Society Fall Meeting 2003  2003 

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  • ナノ構造 Si/SiC の粒界形成と安定性:並列 TBMD およびハイブリッド MD/TBMD シミュレーション

    日本金属学会2003年秋期大会  2003 

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  • Stability of Grain Boundaries in Nanostructured Si and SiC: A molecular dynamics study

    IUMRS-ICAM2003, Symposium D9:"Multiscale Design of Nano-materials"  2003 

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  • Parallel TBMD and Hybrid MD/ TBMD Simulations of Nanostructured Ceramics

    IUMRS-ICAM2003, Symposium D9:"Multiscale Design of Nano-materials"  2003 

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  • Hydrogen diffusion in Si: A tight-binding molecular dynamics study

    IUMRS-ICAM2003, Symposium D9:"Multiscale Design of Nano-materials"  2003 

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  • Tight-binding approach to electron transport in nanostructured semiconductors and their interfaces

    IUMRS-ICAM2003, Symposium D9:"Multiscale Design of Nano-materials"  2003 

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  • A DFT Study of the Electronic Structure of Transition Metal Clusters

    IUMRS-ICAM2003, Symposium D9:"Multiscale Design of Nano-materials"  2003 

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  • Diffusion Mechanisms of Impurities and Point Defects in Silicon: Tight-Binding Molecular Dynamics Simulation

    IUMRS-ICAM2003, Symposium D9:"Multiscale Design of Nano-materials"  2003 

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  • The Size Dependence of the Effective Potentials of Ferromagnetic Clusters within the Framework of DFT Scheme

    IUMRS-ICAM2003, Symposium D9:"Multiscale Design of Nano-materials"  2003 

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  • クーロンクラスターの基底状態と構造転移

    日本物理学会第57回年次大会  2002 

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  • 閉じこめられた湯川系:微小重力下の一成分および多成分系のシミュレーションと理論 III

    日本物理学会第57回年次大会  2002 

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  • シリコン結晶粒界におけるアモルファス層の安定性解析:分子動力学シミュレーション

    日本物理学会中国支部・四国支部,応用物理学会中国四国支部 2002年度支部例会  2002 

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  • クーロンクラスターの融解

    日本物理学会中国支部・四国支部,応用物理学会中国四国支部 2002年度支部例会  2002 

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  • Siアモルファス粒界の安定性解析:MD/TBMDシミュレーション

    日本物理学会2002年秋季大会  2002 

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  • 2次元ダスト結晶中の微粒子の遮蔽長と電荷

    日本物理学会2002年秋季大会  2002 

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  • Screening Length and Electric Charge of Dust Particles

    Fine Particle Plasma: Basis and Applications - 第3回ダストプラズマ研究会  2002 

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  • Collaborative Simulation Grid: Multiscale Quantum-Mechanical/Classical Atomistic Simulations on Distributed PC Clusters in the US and Japan

    15th Annual SuperComputiong Conference (SC2002)  2002 

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  • セラミックス・ナノ微粒子系の原子論的シミュレーション

    第8回ホソカワ粉体工学シンポジウム, 機能性微粒子の設計--粒子設計のためのシミュレーション  2002 

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  • 酸化チタン・ナノ構造体の焼結過程:電荷可変分子動力学シミュレーション

    日本セラミックス協会 2002年年会  2002 

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  • 大規模並列分子動力学計算ー計算機援用による欠陥・界面制御を目指して

    日本物理学会領域10シンポジウム招待講演  2001 

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  • Tight-binding study of nanocrystalline silicon carbide: Dynamics of neck formation, atomic diffusion, and electron mobility

    Mardi Gras Conference 2001 "Multiscale Simulation, Theoretical, and Experimental Approaches of Deformation, Friction, and Fracture"  2001 

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  • 第一原理/半経験的計算法にもとづく粒子集合体のマルチスケールモデリング

    シンポジウム「粒子集合体の自己組織化過程と力学的機能発現」  2000 

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  • Tight-Binding Molecular Dynamics of Ceramic Nanocrystals using Parallel PC Cluster

    International Workshop on Fine Ceramics 2000 "Grain Boundary Engineering in Ceramics: From Grain Boundary Phenomena to Grain Boundary Quantum Structures"  2000 

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  • Parallel Tight-Binding Simulations of Nanophase Ceramics: Atomic and Electronic Transport at Grain Boundaries

    Materials Society Fall Meeting: Symposium Z "Multiscale Materials Modelling"  2000 

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  • 第一原理/半経験的計算法にもとづく粒子集合体のマルチスケールモデリング

    シンポジウム「粒子集合体の自己組織化過程と機能発現」  2000 

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  • Tight-Binding Molecular Dynamics Study of Si-based Materials on Parallel PC Cluster

    International Meeting on Thermo-Mechanical and Electrical Properties of High-Temperature Materials  1999 

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  • Tight-binding molecular dynamics of ceramic nanocrystals using PC-based parallel machines

    Materials Research Society Fall Meeting '99, "Nanophase and Nanocomposite Materials III"  1999 

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  • 並列分子動力学計算の実状と材料科学への応用

    日本材料学会第48期第3回分子動力学部門委員会講演会  1999 

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Works

  • 岡山大学知恵の見本市2015

    2015

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Awards

  • Symposium on Ultrasonic Electronics : Best Paper Award

    2020.11   Topologically robust sound wave transport in two-dimensional phononic crystal with a circular rod arrangement in water

    Kenshi Okunoand Kenji Tsuruta

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    Award type:Award from international society, conference, symposium, etc.  Country:Japan

Research Projects

  • 極超音波トポロジカルフォノニクスの開拓と多機能弾性波デバイス開発

    2021.07 - 2026.03

    JSPS  KAKENHI  基盤研究(S)

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    Authorship:Principal investigator  Grant type:Competitive

    Grant amount:\159250000 ( Direct expense: \122500000 、 Indirect expense:\36750000 )

  • Development of Ultrasonic Topological Phononics for Multifunctional Elastic Wave Devices

    Grant number:21H05020  2021.07 - 2026.03

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Scientific Research (S)

    鶴田 健二, 竹澤 晃弘, 松田 理, 畑中 大樹, O・B Wright

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    Grant amount:\159250000 ( Direct expense: \122500000 、 Indirect expense:\36750000 )

    本研究では,計算科学的バンド設計に基づいてトポロジーで保護されたエッジモードの発現を予測,力学系にモデル化・可視化,その知見からエッジモードを介した極めて低損失な音波・弾性波伝搬実現を目指している。初年度は各班で以下の取組・成果が得られた。
    【(岡大+早大)班】 これまでに設計したC3v対称性を持つ水中2次元フォノニック構造を薄膜系に拡張し,kHz~MHz帯でエッジモードが発現するフォノニック構造を設計した。並行して,既知構造をベースに,位相最適化法を用いてより高いロバスト性を持つ最適構造探索に成功,また,それらのプロトタイプ構造を3Dプリンタで試作し,レーザードップラー計測を行った。一方,GHz帯の設計構造は北大班ならびにNTT班で試作・評価を実施中である。
    【北大班】 すでに着手しているフォノニック構造中を伝搬する表面弾性波の時間分解計測による可視化については,強誘電体基板上の銅ピラー構造によるフォノニック結晶で分散関係取得のための予備的な測定を行った。マクロスコピックなメカニカルフォノニック結晶におけるトポロジカルエッジモードの可視化については,回転可能なメカニカルグラフェン構造を設計・製作し,モーションキャプチャーシステムによる同構造の振動測定と解析を進めている。
    【NTT班】(岡大+早大)班がGHz帯で設計したトポロジカルフォノニック導波路構造をMEMS作製技術の援用により試作し,エッジモード励起も確認した。並行して,磁性体装荷のGHzフォノニック結晶素子を作製し,強磁性マグノンによる共振周波数とQ値の変化を確認した。同時に,有限要素法を用いた数値解析法を構築し,計算による当該素子構造における磁気弾性変調効果のシミュレーションを行った。
    また,代表者・分担者・協力研究者による「トポロジカルフォノニクス研究会」を年度内に4回オンライン開催し多数の参加者を得ている。

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  • Beyond5G時代に向けたトポロジカル・ナノフォノニクス開

    2021.07 - 2023.03

    JSPS  KAKENHI  挑戦的研究(萌芽)

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    Authorship:Principal investigator  Grant type:Competitive

    Grant amount:\6500000 ( Direct expense: \5000000 、 Indirect expense:\1500000 )

  • Development of Topological Nanophononics for the Beyond 5G Era

    Grant number:21K18877  2021.07 - 2023.03

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Challenging Research (Exploratory)

    鶴田 健二, 三澤 賢明, 大村 訓史, 羽田 真毅

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    Grant amount:\6500000 ( Direct expense: \5000000 、 Indirect expense:\1500000 )

    本研究では,近年,波動伝搬のロバスト性により注目が集まるトポロジカル絶縁体の概念を,音波・弾性波に拡張した“トポロジカル・フォノニクス”により,Beyond 5G時代の超高周波弾性波デバイスの動作原理の理論実証を目指している。初年度の実施実績・成果を,全期間を通した達成目標項目ごとに以下に記す。
    (A)原子レベルのトポロジカル相界面の局在フォノン伝搬理論確立
    フォノンバンド計算によるトポロジカル相界面のエッジ状態を持ちうる物質とその結晶粒界構造,および人工周期構造を探索している。今年度は特に,BN基板上のグラフェン構造に着目し,モアレ構造を持つその界面に対するМD計算を実施し,有限温度でTHz領域のフォノン状態密度などといった基礎的特性について知見を得ている。
    (B)トポロジカル相界面に対する光励起による局在フォノン制御
    原子間の結合状態を光励起で変化させることによる振動状態の変化を,線形応答理論に基づく密度汎関数法計算ならびに時間依存密度汎関数法に基づく第一原理МDシミュレーション法で試みている。対象例として,上記グラフェン/BN構造におけるヘテロ接合系(モアレ構造)でエネルギーがどのように片方の層からもう一方の層へと遷移するかを試みている。
    一方,電子線回折実験としては,CNTとBNNTのヘテロ接合を作製し、CNTを光励起したときにBNNTにどのようにエネルギー(振動)が伝わるのかを実験しており,計算と実験の両面から,本現象の微視的メカニズムの解明に向けた解析を実施している。

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  • 化学、計算科学、医学を融合した感光色素を用いた医療用材料およびその関連機器の開発

    2020.06 - 2021.03

    岡山県  特別電源所在県科学技術振興事業  医療・福祉・健康分野

    内田哲也

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    Authorship:Coinvestigator(s)  Grant type:Competitive

    Grant amount:\1705000 ( Direct expense: \1550000 、 Indirect expense:\155000 )

  • Development of ultra high strength more than 6GPa ultra light wegiht carbon nanotube spun yarn

    Grant number:18H01708  2018.04 - 2021.03

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Scientific Research (B)

    HAYASHI Yasuhiko

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    Grant amount:\17810000 ( Direct expense: \13700000 、 Indirect expense:\4110000 )

    In this study, carbon nanotube (CNT) yarns were fabricated from tall and high-density, few-walled CNT forest synthesized on the substrate by dry spinning method to achieve CNT yarns with tensile strength exceeding the strength of carbon fibers, which is a benchmark for practical use. The shape and diameter change of the catalytic metal particles from room temperature to the initial temperature of CNT synthesis was clarified, which enabled the selective synthesis of double-layer CNTs. We also found that the removal of residual amorphous carbon and the structural change to graphene occurred simultaneously when the entire CNT yarn was heated by joule heating in vacuum and extreme ethane gas. Furthermore, by using a spinning technique to orient the CNTs in one direction, a high strength of over 2.5 GPa was achieved.

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  • フォノニック情報処理実現に向けた高効率音響ダイオード・スイッチの開発

    2017.07 - 2021.03

    JSPS  KAKENHI  挑戦的研究(萌芽)

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    Authorship:Principal investigator  Grant type:Competitive

    Grant amount:\6500000 ( Direct expense: \5000000 、 Indirect expense:\1500000 )

  • Development of Acoustic Diode/Switch toward Realization of Phononic Information Processing

    Grant number:17K19035  2017.06 - 2021.03

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Challenging Research (Exploratory)

    TSURUTA Kenji

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    Grant amount:\6500000 ( Direct expense: \5000000 、 Indirect expense:\1500000 )

    On the basis of phononic band analyses, several prototype structures of "acoustic diode" in which only unidirectional propagation is permitted, have been proposed and their experimental visualization have been performed. In addition, highly efficient acoustic wave guides based on topological edge mode have been demonstrated.
    The rectification characteristics of elastic wave based on the hetero-phononic structure, targeted at the beginning, were successfully achieved by optimizing interface structure. On the nonreciprocal acoustic waveguide by applying the external wave modulation, some attempts for the enhancement of modulation effects were examined and their efficiency improvement has been verified. In addition, in the topological acoustic wave guide, it succeeded in the demonstration of the high transmission characteristic beyond our expectation. It thus can become an essential key to the realization of “the phononic information processing system.”

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  • Ultrasonics/Surface Acoustic-Wave Control and Energy-Transport/Harvesting Devices using Phononic Structures

    Grant number:25600132  2013.04 - 2015.03

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Challenging Exploratory Research

    TSURUTA Kenji, FUJIMORI Kazuhiro, ISHIKAWA Atsushi

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    Grant amount:\3510000 ( Direct expense: \2700000 、 Indirect expense:\810000 )

    Periodic structure called “Phononic Crystal”, which enables tailoring of elastic wave propagation, has been designed for new energy-transport/harvesting devices and for new THz wave generation/control.
    Specifically, we have performed i) numerical design and proof-of-principle experiments of GRIN lenses consisting of a 2-dimensional phononic structure, ii) molecular-dynamics analysis of THz wave propagation on a piezoelectric thin film and its control by a periodic hole array, and iii) numerical design of an acoustic diode based on a piezoelectric-dielectric periodic structure.

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  • Study of near-infrared surface-plasmon-resonance fiber sensor

    Grant number:24656257  2012.04 - 2014.03

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Challenging Exploratory Research

    FUKANO Hideki, TSURUTA Kenji, TAUE Syuji

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    Grant amount:\4160000 ( Direct expense: \3200000 、 Indirect expense:\960000 )

    We have studied a super-high sensitivity fiber sensor by a new detection technique. A metallic thin film or metal nanoparticles have formed on the surface of silica fiber used for optical communication system. The free electrons of the metal surface are excited by the electric field of transmitting light, and then collective oscillation of electrons, called surface plasmon resonance occurs. This induces the phase shift of light. This shift has been detected using a multimode interference produced by the special fiber configuration. We clarified that the resonance wavelength of the light can be controlled by changing the metal structure.

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  • Nano Materials Science for Atomic Scale Modification

    Grant number:19053003  2007 - 2012

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Scientific Research on Priority Areas

    IKUHARA Yuichi, YAMAMOTO Takahisa, MUTO Shunsuke, MORITA Seizo, TANAKA Isao, TSURUTA Kenji, TANIGUCHI Takashi, KITAOKA Satoshi

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    Grant amount:\26600000 ( Direct expense: \26600000 )

    本終了研究では特定領域の成果報告会や国際会議を企画し,本特定領域によって構築された「機能元素の学理」の効果的な普及を行った.さらに,本特定領域で得られた知見を次代を担う若手研究者に引き継ぐためのプログラム(若手研究者向けセミナー,若手研究者海外滞在)も企画・運営した.また,班内の効果的な情報共有・打ち合わせのためのインターネット会議の実施や情報管理も本総括班が行った.
    平成24年度では以下のような総括班会議,成果報告会,シンポジウム等を行い,本特定領域で得られた研究成果の発信を行ってきた.
    ・総括班会議の開催6月(東京)
    ・特定領域最終成果報告会(公開)6/8(東京)【産官学から約200名の参加があった】
    ・国際会議の開催(公開)5/9-11(岐阜)【国内外から約300名の参加があった】
    The 3rd International Symposium on Advanced Microscopy and Theoretical Calculations(AMTC3)
    ・国際学術雑誌企画5月(AMTC Letters No.3)
    ・最終研究成果ニュースレター冊子体の企画6月
    ・特定領域特集号発刊(セラミックス)
    ・若手研究者向けセミナー1月(名古屋)
    6月に開催した本特定領域の最終成果報告会においては200名近い参加があり,非常に盛会であった.また,5月に行われた国際会議においても世界中から第一線で活躍する研究者が一堂に会し,3日間にわたって活発な議論が行われた.また,次世代研究者の育成をめざし,研究者の海外滞在プログラム(米国オークリッジ国立研究所,英国インペリアルカレッジ)も行われた.また大学院生を対象とした第一原理計算,透過型電子顕微鏡,電子分光に関するセミナーも開催した.

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  • Nanodopant Analysis via Multiscale Numerical Method

    Grant number:19053007  2007 - 2011

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Scientific Research on Priority Areas

    TSURUTA Kenji, KOYAMA Toshiyuki, OGATA Shuji, HYODO Shiaki

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    Grant amount:\33900000 ( Direct expense: \33900000 )

    Novel methodologies/algorithms, which connect two or more physical scales, have been developed for the materials simulation as a tool to extract fundamental principles in materials science of functional elements. Also, through collaboration with a nanoscale measurement group and a process group in the project, the above-mentioned new techniques have been applied to quantitative elucidation of atomic/electronic structures of a dislocation and electronic states and stability of a segregated atom in alumina ceramic, which is adopted as a common sample in the project, and the effectiveness of the methods has been proved.

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  • Strongly correlated quantum phase associated with charge fluctuation

    Grant number:18002008  2006 - 2010

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Specially Promoted Research

    GOTO Terutaka, NEMOTO Yuichi, KITAZAWA Hideaki, SUZUKI Hiroyuki, KANETA Hiroshi, YANAGISAWA Tatsuya, IYETOMI Hiroshi, ONO Yoshiaki, TAKEDA Naoya, TSURUTA Kenji, SAKAI Osamu, AKATSU Mitsuhiro, ISHII Isamu, MITSUMOTO Keisuke

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    Grant amount:\284440000 ( Direct expense: \218800000 、 Indirect expense:\65640000 )

    The ultrasonic strains have specified symmetries and couple to the electric quadrupoles of the electronic and ionic quantum states. The ultrasonic measurements of the elastic constants and attenuation coefficients, therefore, may determine the quadrupole susceptibility. In the present projects, using low-temperature ultrasonic phase difference measurement apparatus with a highly velocity resolution, we have carried out a study of non-Kramers doublet of localized 4f-electron in rare-earth compounds, rattling of local oscillator in clathrate compounds, vacancy orbital in boron-doped silicon crystal in pursuing strongly correlated quantum phases associated with charge fluctuation.

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  • Multiscale Design of Nanostructured Ceramics for High-frequency Electromagnetic Applications

    Grant number:17560597  2005 - 2007

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Scientific Research (C)

    TSURUTA Kenji, TOTSUJI Chieko, TOTSUJI Hiroo, KISHIMOTO Akira

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    Grant amount:\3670000 ( Direct expense: \3400000 、 Indirect expense:\270000 )

    In this research, we have developed novel and highly accurate simulation methodologies for nanostructured materials that are used in ultra high-speed mass communication devices. We have applied the methods to clarify the effects of defects, grain boundaries, and impurities on electronic and magnetic properties of nanostructured ceramics and semiconductors.
    During the research term, we have obtained the following outcomes:
    1. The electronic transportation coefficient in Si nanowires has been calculated via the time-dependent Schrodinger equation based on the tight-binding approximation;
    2. The diffusion processes of the impurity hydrogen in a Si crystal and grain boundary were analyzed by hybrid quantum/classics molecular dynamics method. We have found possible mechanism of the sudden drop of activation energy of H atom around and above 1000K due to the interactions between the defects and the impurity.
    3. We have found the possibility that the residual magnetization of diamond is locally generated when Ni impurities were inserted at interstitial sites.
    4. The spin polarizability in low-dimensional electron system was evaluated through the correlations between electrons trapped in low-dimensional system by the classics map method.
    5. The structural and normal-mode analyses were performed to investigate the relationship between melting processes and the vibrational modes.
    6. The finite-difference time-domain (FDTD) simulation methodologies for electromagnetic responses of meta-materials were developed and applied to the metal-insulator multilayer structures.
    We have presented these results in a lot of domestic societies meetings and in four invited lectures.

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  • 並列分子動力学/電子状態計算手法によるナノ構造セラミックスの粒界形成・機能制御

    Grant number:14750554  2002 - 2004

    日本学術振興会  科学研究費助成事業  若手研究(B)

    鶴田 健二

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    Grant amount:\3400000 ( Direct expense: \3400000 )

    本研究では、申請者がこれまで蓄積してきた研究成果を踏まえた上で、更なる発展を目指し、下記のような達成目標を掲げてきた:
    (a)粒界不純物拡散機構に対する分子動力学/電子状態解析;
    (b)ナノ構造中の電子伝導の解析;
    (c)超長時間シミュレーション手法の確立とナノ粒子成長・粒界移動解析への適用。
    最終年度である本年度では、下記の成果により上記目標のほとんどが達成された。
    (1)計算グリッド上での高効率な計算を可能にするO(N)並列TBMDおよびハイブリッド並列TBMD/MDコードを完成させた。
    (2)上記のO(N)並列TBMDおよびハイブリッド並列TBMD/MD法により、Si結晶・粒界中の水素拡散に関するマルチスケールシミュレーションを実施し、高温におけるSi結晶・粒界付近での水素拡散のメカニズムを解析した。
    (3)前年度から引き続いて、古典MDとTBMDとの併用、ならびに上記のハイブリッドTBMD/MD手法を用いて、SiおよびSiC結晶粒界の高温における構造安定性の解析を行った。また、Si粒界における電子状態の局在性を、電子密度行列の空間的広がりから解析し、ボンドの乱れとs軌道成分の増大との関係を定量的に明らかにした。
    (4)Si結晶中の不活性原子のTBMDシミュレーションを実施し、安定位置、拡散経路ならびに活性化エネルギーの見積もりを行った。
    (5)多項式展開法による時間依存シュレディンガー方程式の高速計算法を開発し、鎖状ナノ構造Si中の電子伝導ダイナミックスの解析を行った。
    (6)超長時間シミュレーションを可能にする確率的差分方程式法を密度汎関数分子動力学シミュレーションへ適用し、その有用性と数値的安定性を検証した。

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  • Studies on the Origin of Superionicity by parallel Computing---Basic Research for New Materials with High Ionic Conductivity---

    Grant number:12440085  2000 - 2002

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Scientific Research (B)

    KOBAYASHI Michisuke, TSURUTA Kenji, KUSAKABE Koichi, IYETOMI Hiroshi

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    Grant amount:\8400000 ( Direct expense: \8400000 )

    【0!□】First the connection and the operation check of parallel computers system have been arranged with the help of Dr. H. Kikuchi (LSU, USA), Prof. A. Nakano (foreign collaborator, SCU, USA).
    【1!□】 (1) The tight-band electronic band calculations and DV-Xα cluster method of β-Ag3SX (X=I, Br) have been carried out to study the p-d hybridization and the superionicity. (2) A computer simulation by a molecular dynamics method at constant volume has been performed to a model material which is composed of accumulating two different fluorite conductors : ・・・CaF_2-BaF_2-CaF_2-BaF_2・・・. It has been obtained that the diffusion coefficient and ionic conductivity of F ions in the layered fluorite conductors increases with decreasing periods.
    【2!□】 (1) The sintering process for nano-particles of TiO_2 have been carried out by MD simulation. Internal structure and space-charge distribution have been studied in the nano-phase. (2) Dynamical properties of a binary Coulomb compound have been also investigated.
    【3!□】 Using the tight binding molecular dynamics (TBMD) which has been developed by authors, the following things have been studied : (1) Structure of grain boundary in diamond crystal and its effect due to hydrogen addition. (2) The study of diffusion path of hydrogens in both Si and amorphous Si.
    【4!□】 By performing the project, many important results have been obtained. Those resuts have been published on joumals and presented in conferences. Studies are further developing. Exciting progress in our project will be expected.

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  • セラミックス基ナノ構造体の電子機能制御:量子・古典並列分子動力学計算

    Grant number:12750604  2000 - 2001

    日本学術振興会  科学研究費助成事業  奨励研究(A)

    鶴田 健二

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    Grant amount:\2400000 ( Direct expense: \2400000 )

    本研究の目的は、セラミックス基ナノ構造体における新しい電子機能の発現について、その物性解析に対する量子・古典分子動力学シミュレーションの実践的適用である。本年度に遂行を計画した課題は:(1)タイトバインディング法および分子動力学法に基づくナノ構造セラミックスにおける原子・電子輸送係数の計算;(2)第一原理計算コードの整備とタイトバインディング(TB)分子動力学(MD)計算用のパラメータ抽出方法検討;および(3)それらの成果発表であった。
    計画(1):高温・高圧下でのSiCやTiO_2のナノ微粒子間のネック形成・焼結のシミュレーションを実施(雑誌論文1、2、3、5番目参照)。また、古典MD計算や中性子散乱実験データと比較し、粒界イオン拡散の温度依存性について、その微視的なメカニズムを解明した(雑誌論文1、5番目参照)。また、微粒子間粒界での電子移動度についてのTB計算も行い、セラミックス対応粒界において電子移動度が増大する可能性を提唱した(雑誌諭文1番目参照)。また、これらのシミュレーションにおいて、微粒子がそれぞれの結晶方位を自己組織形成的に揃え合う現象を見い出し、高緻密化と機能性制御へ向けた重要な知見を得た(雑誌諭文2、5番目参照)。
    計画(2):昨年試みた平面波基底計算からのTBパラメータ抽出に続き、第一原理LMTO計算法からの抽出法と精度についての検討を行った。
    計画(3):上記成果を国内外の学会で報告した。(日本物理学会・日本金属学会・日本セラミックス協会の各秋期大会、日本MRS学術シンポジウム)特に日本物理学会秋期分科会において、大規模シミュレーションに関するシンポジウム招待講演を行い、本研究の遂行状況と他の手法等の現状を解説した。また、日本MRSのシンポジウム「多粒子集合体の組織形成ダイナミックス」を組織・開催し、当該研究に関連する分野の多くの研究者間の交流をはかった。また、3月末に開かれる日本セラミックス協会の春期大会でも、当該研究の成果発表を行った。

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  • Large Scale Quantum Simulations Plasmas

    Grant number:11480110  1999 - 2001

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Scientific Research (B)

    TOTSUJI Hiroo, TOTSUJI Chieko, TSURUTA Kenji

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    Grant amount:\5900000 ( Direct expense: \5900000 )

    In principle, electrons in plasmas are quantum objects. Except for the cases at high temperatures and with low densities where the quantum nature of electrons does not play an important role, we need to take it into account. One of typical examples is the implosion process in the inertial confinement fusion where ions and elecrons are strongly coupled.
    The lack of long-range order of crystalline lattice makes theoretical treatment of quantum plasmas difficult and numerical simulations become an important method of analysis. The quantum simulation usually requires large computational resources and the applicable system size is limited. In addition to this, we have another difficulty coming from the long-range nature of the Coulomb interaction. The purpose of this research project is to find solutions for these problems.
    We have applied the density functional molecular dynamics (DFMD) to overcome the first point in 2. In this method, the electron density is regard ed as a dynamic variable and one can perform large scale quantum simulations. We have analyzed the hydrogen plasma in the domain of liquid metal and have shown that quantum simulations with 1000 electrons are affordable. We have also confirmed that, by employing parallel PC clusters, we can simulate systems larger than the latter by one or two orders of magnitude. We have also checked the accuracy of DFMD by comparing the results with those of first principle simulations.
    To solve the second problem in 2, we have developed the computation code on the basis of the Fast Multipole method(FMM). We have applied our code to Coulomb clusters and found the critical system size for its structural phase transition. We have also applied our code to the Yukawa system which can be regarded as the simplest approximation for ions in quantum plasmas. The Yukawa system serves as a model of dusty plasmas whose behavior is an important subject in relation to plasma processing. Applications to Yukawa systems provide us with not only a reference system but also useful results for real systems.

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  • Large Scale Simulations of Fusion Plasmas

    Grant number:08458109  1996 - 1998

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Scientific Research (B)

    TOTSUJI Hiroo, TOTSUJI Chieko, ISHII Tadao, TSURUTA Kenji

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    Grant amount:\5600000 ( Direct expense: \5600000 )

    1. Methods of numerical simulations have been developed for strongly interacting plasmas realized in the process of implosion of fuel targets in the inertial confinement fusion. For such plasmas, numerical simulations are indispensable in analyzing their various properties.
    2. For systems with inhomogeneity and interfaces, large scale simulations are required and are possible only by the parallel computation with many CPUs due to limitations on the speed of a single CPU.In this project, a parallel PC cluster has been used.
    3. For the classical ion system which forms the basis of the large scale simulations of plasmas, we have developed the constant temperature and constant-pressure or constant-volume molecular dynamics. We have applied the method to the Yukawa system and the Yukawa mixture, the system of ions interacting via the Coulomb potential screened by electrons, and obtained their phase diagram in external fields. We have also realized the code for the fast multiploe method which is very efficient for large scale Coulomb systems. As a result, we are able to simulate more than 100000 particles.
    4. For quantum simulations of plasmas including electrons, we have applied the density functional molecular dynamics. In this method, the electron density is regarded as a dynamic variable and one can perform large scale quantum simulations. We have analyzed the hydrogen plasma in the domain of liquid metal and have shown that quantum simulations with 1000 electrons are affordable. When we approach the line of the pressure ionization from high densities, we observe clearly the decrease of the degree of ionization and the increase of the electronic screening of ions by visualizing the distribution of electrons. We have also developed the ab initio molecular dynamics in. order to compare the results with those of the density functional molecular dynamics and guide the application of the latter.

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    岡山大学大学院自然科学研究科  先端電子材料・デバイス設計技術体験  2020.2.17 - 2020.2.23