A molecular dynamics simulation of the carbon cluster formation on a parallel computer

被引:0
作者
Hayashi, R [1 ]
Tanaka, K
Nakano, K
Horiguchi, S
Hiwatari, Y
机构
[1] Japan Adv Inst Sci & Technol, Sch Informat Sci, Tatsunokuchi, Ishikawa 9231292, Japan
[2] Kanazawa Univ, Fac Sci, Dept Computat Sci, Kakuma, Ishikawa 9201192, Japan
来源
PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT | 2000年 / 138期
关键词
D O I
暂无
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The new carbon structure, fullerene is a very interesting molecule, and it is expected to be a superior potentially new material. This work addresses a classical Molecular Dynamics simulation for making clear the formation process of fullerene. Especially, we are paying our attention to carbon clusters' growth in a dilute gas-phase. In order to execute large-scale simulations, we parallelized the carbon MD simulation. We also represent parallelization results of MD program for gas-phase with very low density.
引用
收藏
页码:262 / 263
页数:2
相关论文
共 4 条
[1]   Domain decomposition scheme for parallel molecular dynamics simulation [J].
Hayashi, R ;
Horiguchi, S .
HIGH PERFORMANCE COMPUTING ON THE INFORMATION SUPERHIGHWAY - HPC ASIA '97, PROCEEDINGS, 1997, :595-600
[2]   A molecular dynamics demonstration of annealing to a perfect C60 structure [J].
Maruyama, S ;
Yamaguchi, Y .
CHEMICAL PHYSICS LETTERS, 1998, 286 (3-4) :343-349
[3]  
TANAKA K, 1999, THESIS KANAZAWA U
[4]   EMPIRICAL INTERATOMIC POTENTIAL FOR CARBON, WITH APPLICATIONS TO AMORPHOUS-CARBON [J].
TERSOFF, J .
PHYSICAL REVIEW LETTERS, 1988, 61 (25) :2879-2882