Faculty Profiles - TSURUTA Kenji

MISC - TSURUTA Kenji

Division display 121 - 140 of about 166 ／ All the affair displays >>

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Language：English Publisher：AMER CERAMIC SOC

Molecular dynamics (MD) simulations of both rutile and anatase TiO2-nanoclusters (size 60-80 Angstrom) are performed using an environment-dependent interatomic potential developed recently by Ogata et al. [J. Appl. Phys. 86 [16], 3036-3041 (1999)]. In the potential, atomic charges vary dynamically according to the generalized electronegativity-equalization principle. Formation of double-charge layer and enhanced atomic diffusion are observed in surface regions of the free TiO2-nanospheres by inclusion of the atomic-charge variation. Their effects on aggregation processes of TiO2 nanoclusters are investigated through MD simulations.

Web of Science

researchmap

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

Language：English Publisher：AMER CERAMIC SOC

Tight-binding molecular dynamics (TBMD) simulations are performed to study atomistic/electronic structures and electronic transport in nanocrystalline silicon-carbide ceramic (nc-SiC). The simulations are based on an O(N) algorithm (the Fermi-operator expansion method) for calculating electronic contributions in the energy and forces. The code has been fully parallelized on our Pentium-based parallel machines.
In a sintering simulation of aligned (no tilt or twist) SiC nanocrystals at T approximate to 730 degreesC, we find that a neck is formed promptly without formation of defects. Analyses reveal that unsaturated bonds exist only in grain surfaces accompanying the gap states. In the case of tilted (< 122 >) nanocrystals, surface structures formed before sintering affect significantly the grain-boundary formation. An electrical conductivity of the sintered (aligned) nc-SiC system is estimated via the Kubo-Greenwood formula with tight-binding representation. Effects of surface states on the conductivity is analyzed.

Web of Science

researchmap

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

Language：English Publisher：MATERIALS RESEARCH SOCIETY

A new interatomic potential has been developed for molecular-dynamics simulations of TiO2 based on the formalism of Streitz and Mintmire [J. Adhesion Sci. Technol. 8, 853 (1994)], in which atomic charges vary dynamically according to the generalized electronegativity-equalization principle. The present potential reproduces various quantities of rutile crystal including vibrational density of states, static dielectric constants, melting temperature, elastic moduli, and surface relaxation. Calculated cohesive-energy and dielectric constants for anatase crystal agree well with experimental data The potential is applied to TiO2 nanoclusters (size 60-80 Angstrom) for both anatase and rutile phases to analyze their equilibrium configuration and space-charge distribution. Stable double-charge layer is found in the surface region of a spherical nanocluster for both rutile and anatase, resulting in enhanced Coulomb-repulsion between the nanoclusters at close proximity.

Web of Science

researchmap

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

Language：English Publisher：MATERIALS RESEARCH SOCIETY

Evolution of atomic and electronic structures of silicon-carbide (SiC) nanocrystals during sintering is investigated by a tight-binding molecular dynamics (TBMD) method. An O(N) algorithm (the Fermi-operator expansion method) is employed for calculating electronic contributions in the energy and forces. Simulations are performed on our eight-node parallel PC cluster. In a sintering simulation of aligned (no tilt or twist) SiC nanocrystals at T=1000K we find that a neck is formed promptly without formation of defects. Analyses of local electronic density-of-states (DOS) and effective charges reveal that unsaturated bonds exist only in grain surfaces accompanying the gap states. In the case of tilted (<122>) nanocrystals, surface structures formed before sintering affect significantly the grain-boundary formation.

Web of Science

researchmap

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

　 PREV - NEXT 　

< TSURUTA Kenji >

MISC - TSURUTA Kenji