Parallel J-W Monte Carlo Simulations of Thermal Phase Changes in Finite-size Systems
计算物理
2009-11-07 v1 原子与分子团簇
原子物理
生物物理
摘要
The thermodynamic properties of 59 TeF6 clusters that undergo temperature-driven phase transitions have been calculated with a canonical J-walking Monte Carlo technique. A parallel code for simulations has been developed and optimized on SUN3500 and CRAY-T3E computers. The Lindemann criterion shows that the clusters transform from liquid to solid and then from one solid structure to another in the temperature region 60-130 K.
引用
@article{arxiv.physics/0203054,
title = {Parallel J-W Monte Carlo Simulations of Thermal Phase Changes in Finite-size Systems},
author = {R. Radev and A. Proykova},
journal= {arXiv preprint arXiv:physics/0203054},
year = {2009}
}
备注
4 pages, 5 figures; presented at the conference on computational physics, Aachen (2001) accepted for publication in Comp.Phys.Comm