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中国物理学会期刊

远程作用对晶体生长的影响——Monte-Carlo模拟

CSTR: 32037.14.aps.30.351

THE EFFECT OF LONG RANGE INTERACTION ON CRYSTAL GROWTH——MONTE-CARLO SIMULATION

CSTR: 32037.14.aps.30.351
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  • 本文推导了在考虑了分子与分子、离子与离子之间远程相互作用时,不同情况下的动力学常数普遍表达式;并用计算机模拟方法模拟了不同情况下的界面形貌和生长速度。结果表明,即使对以范德瓦耳斯力相互作用的分子晶体,长程相互作用也是不能忽略的;对于AB型离子晶体,则必须考虑长程相互作用。为了解决对长程相互作用的计算困难,我们采用了中性组合法。

     

    In this article, the general expressions of kinetic rate constants under different conditions have been derived, with the long range interaction between molecules or between ions being considered. The interface configuration and the growth rate under different conditions have been simulated by using Monte-Carlo simulation method. The results show that, even in the case of molecular crystals in which only Van de Waals forceacts, the long range interaction still cannot be ignored; as in AB type ionic crystals, the long range interaction must be taken into account. In order to surmount the difficulty of Calculating long range interaction, we adopt the neutral combination method.

     

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