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

R. Radev·A. Proykova
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Abstract

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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R. Radev, A. Proykova. 2002-03-18. Parallel J-W Monte Carlo Simulations of Thermal Phase Changes in Finite-size Systems. https://doi.org/10.1016/s0010-4655(02)00255-2

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