Hoyt J J, Asta M, Karma A
Sandia National Laboratories, MS 9161, P.O. Box 969, Livermore, California 94550, USA.
Phys Rev Lett. 2001 Jun 11;86(24):5530-3. doi: 10.1103/PhysRevLett.86.5530.
We present a method to compute accurately the weak anisotropy of the solid-liquid interfacial 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 interfacial free energy. We present results for pure Ni with interatomic potentials derived from the embedded atom method.
我们提出了一种精确计算固液界面自由能弱各向异性的方法，该参数会影响具有原子粗糙界面材料中的枝晶演化。该方法基于在分子动力学模拟过程中监测界面涨落，并提取界面刚度，其各向异性比界面自由能高一个数量级。我们给出了采用由嵌入原子法导出的原子间势的纯镍的计算结果。
