Amini Majeed, Laird Brian B
Department of Physics, University of Kansas, Lawrence, Kansas 66045, USA.
Phys Rev Lett. 2006 Nov 24;97(21):216102. doi: 10.1103/PhysRevLett.97.216102. Epub 2006 Nov 20.
Using molecular-dynamics simulation, we determine the magnitude and anisotropy of the kinetic coefficient (mu) for the crystal growth from the melt for the hard-sphere system through an analysis of equilibrium capillary fluctuations in interfacial height. We find mu100 = 1.44(7), mu110 = 1.10(5), and mu111 = 0.64(3) in units of square root (kB/(mTm)), where kB is Boltzmann's constant, m is the particle mass, and Tm is the melting temperature. These values are shown to be consistent, with some exceptions, with those obtained in recent simulation results a variety of fcc metals, when expressed in hard-sphere units. This suggests that the kinetic coefficient for fcc metals can be roughly estimated from C square root (R/(MTm)), where R is the gas constant, M is the molar mass, and C is a constant that varies with interfacial orientation.
通过对界面高度平衡毛细管涨落的分析，利用分子动力学模拟，我们确定了硬球体系从熔体中晶体生长的动力学系数（μ）的大小和各向异性。我们发现，以平方根（kB/(mTm)）为单位时，μ100 = 1.44(7)，μ110 = 1.10(5)，μ111 = 0.64(3)，其中kB是玻尔兹曼常数，m是粒子质量，Tm是熔化温度。当以硬球单位表示时，这些值除了一些例外情况，与最近对各种面心立方金属的模拟结果一致。这表明，面心立方金属的动力学系数可以大致从C平方根（R/(MTm)）估算，其中R是气体常数，M是摩尔质量，C是一个随界面取向变化的常数。
