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Prog. Theor. Phys. Supplement No.138 (2000) pp. 262-263
A Molecular Dynamics Simulation of the Carbon Cluster Formation on a Parallel Computer
Ryoko Hayashi,*
Kenji Tanaka,**
Katsuya Nakano,**
Susumu Horiguchi* and
Yasuaki Hiwatari**
*School of Information Science,
Japan Advanced Institute of Science and Technology,
Tatsunokuchi, Ishikawa 923-1292, Japan
**Department of Computational Science, Faculty of Science,
Kanazawa University, Kakuma, Ishikawa 920-1192, Japan
(Received November 2, 1999)
Abstract:
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.
URL :
http://ptp.ipap.jp/link?PTPS/138/262/
DOI : 10.1143/PTPS.138.262
References:
-
J. Tersoff, Phys. Rev. Lett. 61 (1988), 2879[APS].
- Y. Yamaguchi and S. Maruyama, Chem. Phys. Lett. 286 (1998), 343.
- K. Tanaka, Master Thesis in Kanazawa University (1999).
- R. Hayashi and S. Horiguchi, Proceedings of HPC Asia '97 (1997), p. 595.
