Parallel J-W Monte Carlo simulations of thermal phase changes in finite-size systems

DOI10.1016/S0010-4655(02)00255-2MaRDI QIDQ696502zbMATH OpenOpenAlexFDO

Authors R. Radev, Ana Proykova

Publication date 12 September 2002

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/physics/0203054

zbMATH Keywords

clusters phase transition

Mathematics Subject Classification ID

Dynamic and nonequilibrium phase transitions (general) in statistical mechanics (82C26)

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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