Method for computing the anisotropy of the solid-liquid interfacial free energy

被引:434
作者
Hoyt, JJ
Asta, M
Karma, A
机构
[1] Sandia Natl Labs, Livermore, CA 94550 USA
[2] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA
[3] Northeastern Univ, Dept Phys, Boston, MA 02115 USA
关键词
D O I
10.1103/PhysRevLett.86.5530
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present a method to compute accurately the weak anisotropy of the solid-liquid intel facial free energy, a parameter which influences dendritic evolution in materials with atomically rough interfaces. The method is based on monitoring interfacial fluctuations during molecular dynamics simulation and extracting the interfacial stiffness which is an order of magnitude more anisotropic than the inter racial free energy. We present results for pure Ni with interatomic potentials derived from the embedded atom method.
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页码:5530 / 5533
页数:4
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