非液相空间的势能判别法  

POTENTIAL IDENTIFICATION METHOD FOR NON-LIQUID SPACE

作　　者：王金照[1] 陈民[1] 过增元[1] 

机构地区：[1]清华大学工程力学系传热强化与过程节能教育部重点实验室,北京100084

出　　处：《工程热物理学报》2003年第1期106-108,共3页Journal of Engineering Thermophysics

基　　金：国家自然科学基金资助项目(No.50106004);清华大学基础研究基金资助项目(No.Jc2001024)

摘　　要：本文通过对汽液成核过程分子动力学模拟所得到的分子构形的分析,给出利用空间局域势能判别非液相空间的 方法及其物理图象。该方法以示踪粒子势能为参量,以液相平均势能的二分之一为阈值,通过示踪粒子的势能分布判定非 液相空间。该方法对二维和三维流体成核模拟中的空穴和汽泡均作出了合理判别。According to the analysis of molecular configuration obtained in the molecular dynamics simulation of liquid-vapor nucleation, a numerical method and the underlying physical picture are given to identify non-liquid space. This method adopts the ghost particle potential as identification parameter and the half of the average liquid potential as threshold value. Non-liquid space is identified by comparing the ghost particle potential and the threshold value. Using this method, both the cavity and the bubble in the two-dimensional and three-dimensional nucleation simulations can be reasonably identified.

关 键 词：非液相空间 势能判别法 分子动力学 势能阈值 

分 类 号：O55[理学—热学与物质分子运动论]