Crystal growth and interface relaxation rates from fluctuations in an equilibrium simulation of the Lennard-Jones (100) crystal-melt system
Crystal growth and interface relaxation rates from fluctuations in an equilibrium simulation of the Lennard-Jones (100) crystal-melt system
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Lennard-Jones (100) 晶体熔融系统平衡模拟中的波动引起的晶体生长和界面弛豫率
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发表时间：
2002
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通讯作者：
W. Briels
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文献类型：
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作者：
H. L. Tepper;W. Briels
结晶的动力学系数根据先前引入的平衡方法计算[Phys.Rev.Lett. 79，5074（1997）]。两个制度的界面松弛和宏观增长的存在，如他们被发现在以前的非平衡模拟，完全证实了平衡方法的结果。特别注意压力波动与结晶材料量波动之间的关系。此外，我们调查的界面的密度和序参量的轮廓，并作出明确的区别之间的瞬时结构和通常提出的时间平均的轮廓。
The kinetic coefficient of crystallization is calculated according to a previously introduced equilibrium method [Phys. Rev. Lett. 79, 5074 (1997)]. The existence of two regimes of interface relaxation and macroscopic growth, such as they were found in previous nonequilibrium simulations, is fully confirmed by the results of the equilibrium method. Special attention is given to the relation between pressure fluctuations and fluctuations of the amount of crystalline material. Furthermore, we investigate the density and order parameter profiles of the interface and make a clear distinction between the instantaneous structure and the time-averaged profile which is usually presented.