期刊
PHYSICAL REVIEW B
卷 78, 期 14, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.78.144109
关键词
-
资金
- DOE OBES, Division of Materials Sciences [DE-FG0206ER46336]
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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