Parallel J-W Monte Carlo Simulations of Thermal Phase Changes in Finite-size Systems

Details Parallel J-W Monte Carlo Simulations of Thermal Phase Changes in Finite-size Systems Parallel J-W Monte Carlo Simulations of Thermal Phase Changes in Finite-size Systems

2002-03-18

arxiv.org/abs/physics/0203054v1

Comp. Phys. Comm. 147/1-2 (2002) 242

Physics

Computational Physics

4 pages, 5 figures; presented at the conference on computational physics, Aachen (2001) accepted for publication in Comp.Phys.

Scientific paper

10.1016/S0010-4655(02)00255-2

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.

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