Faculty Profiles - TSURUTA Kenji

MISC - TSURUTA Kenji

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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

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

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

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

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

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

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

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

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

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

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

Multiscale molecular dynamics simulations of nanostructured materials

Kenji Tsuruta, Atsushi Uchida, Chieko Totsuji, Hiroo Totsuji

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

Language：English Publisher：TRANS TECH PUBLICATIONS LTD

We present some attempts to simulate nanoscale phenomena, which involve different length-scales and time-scales, using multiscale molecular-dynamics approaches. To simulate realistically an impurity-segregated nanostructure, we have developed the hybrid quantum/classical approach, The method can describe seamlessly both dynamical changes of local chemical bonding and nanoscale atomic relaxations. We apply the method to hydrogen diffusion in Si grain boundary. We find that the hydrogen is strongly trapped in (001)Sigma 5 twist boundary below 1000K, whereas it starts diffusing along the grain boundary above 1000K. For long-time processes in nanostructure formation, we apply the stochastic-difference-equation method to accelerate the simulations for microstructure evolution. The method bridges the states separated by high-energy barriers in a configuration space by optimizing an action, defined as an error accumulation along a reaction pathway. As an example, a SDE simulation is performed for Cu thin-film formation via nanocluster deposition. We show that the method can be applied effectively to search for the long-time process which involves a rare event due to a large potential barrier between two atomic configurations.

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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

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

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

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

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

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

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

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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