期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 2, 期 11, 页码 1320-1323出版社
AMER CHEMICAL SOC
DOI: 10.1021/jz200351m
关键词
-
类别
资金
- NSF, Caltech CSEM [DMR-0520565]
- DFG Leibniz-Program [SFB 602]
- ASC at LANL
We demonstrate the stochastic nature of cavitation in a binary metallic liquid Cu46Zr54 during hydrostatic expansion by employing molecular dynamics (MD) simulations using a quantum mechanics (QM)-derived potential. The activation volume is obtained from MD simulations and transition-state theory. Extrapolation of the pressure dependence of the activation volume from our MD simulations to low tensile pressure agrees remarkably with macroscale cavitation experiments. We find that classical nucleation theory can predict the cavitation rate if we incorporate the Tolman length derived from the MD simulations.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据