A new Monte Carlo method for calculating surface tension

作者: J. Miyazaki

DOI: 10.1063/1.432627

关键词: Monte Carlo methodMonte Carlo method in statistical physicsHybrid Monte CarloDirect simulation Monte CarloKinetic Monte CarloStatistical physicsMechanicsDynamic Monte Carlo methodMonte Carlo molecular modelingPhysicsMonte Carlo method for photon transportPhysical and Theoretical ChemistryGeneral Physics and Astronomy

摘要: A new Monte Carlo method for calculating the surface tension of a liquid is described. The based on direct evaluation free energy required to create surface, unlike earlier calculations which evaluated stress. It applied 6:12 fluid in conditions close triple point argon. calculated agrees within statistical uncertainty with previous estimates, but present much lower. Agreement experimental data argon not good, as should be expected; estimates effects using correct pair potential and particularly including three‐body interactions indicate that they would lead good agreement.

参考文章(1)
Joel Louis Lebowitz, Cyril Domb, Melville S. Green, Phase Transitions and Critical Phenomena ,(1972)