Modeling microstructural evolution using atomic density function and effective pair potentials

被引：3
|
作者：
Kim, Ji Hee [1 ]
Garofalini, Stephen H. [1 ]
机构：
[1] Rutgers State Univ, Dept Mat Sci & Engn, Piscataway, NJ 08854 USA
来源：
PHYSICAL REVIEW B | 2008年 / 78卷 / 14期
关键词：
D O I：
10.1103/PhysRevB.78.144109
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We propose a numerical approach to the calculation of microstructural evolution in forms of the atomic density evolution. The modulation of the atomic density wave is driven by the minimization of the free-energy functional, which includes an effective pair potential term with softened core. As applications, we report simulation results of solidification, grain growth, and annealing for a one-component system in two dimensions.
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收藏
页数：7
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