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原文連結
論文資訊
- 類型：已發表論文
- 日期：2017-06-27
摘要
族群 annealing is a sequential 蒙地卡羅 scheme well suited to simulating equilibrium states of systems with rough free energy landscapes. Here we use 族群 annealing to study a binary mixture of hard spheres. 族群 annealing is a parallel version of simulated annealing with an extra resampling step that ensures that a 族群 of replicas of the system represents the equilibrium ensemble at every packing fraction in an annealing schedule. The algorithm and its equilibration properties are described, and results are presented for a glass-forming fluid composed of a 50/50 mixture of hard spheres with diameter ratio of 1.4:1. For this system, we obtain precise results for the equation of state in the glassy regime up to packing fractions phi approximate to 0.60 and study deviations from the Boublik-Mansoori-Ca
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