作者: J. Miyazaki
DOI: 10.1063/1.432627
关键词: Monte Carlo method 、 Monte Carlo method in statistical physics 、 Hybrid Monte Carlo 、 Direct simulation Monte Carlo 、 Kinetic Monte Carlo 、 Statistical physics 、 Mechanics 、 Dynamic Monte Carlo method 、 Monte Carlo molecular modeling 、 Physics 、 Monte Carlo method for photon transport 、 Physical and Theoretical Chemistry 、 General 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.