盘状Gay-Berne模型各向同性相中的不变物理线

Q1 Physics and Astronomy
Saeed Mehri , Mohamed A. Kolmangadi , Jeppe C. Dyre , Trond S. Ingebrigtsen
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引用次数: 3

摘要

采用考虑圆盘状液晶在低温下形成的参数选择,对Gay-Berne模型进行了数值研究。结果表明,该模型在高温下各向同性相具有很强的虚拟势能相关性,即它符合同构的存在准则,同构是结构和动力学近似不变的曲线。这些性质被证明是沿着研究的同构的约化单位近似不变。密度标度指数(constant density-scaling index)为11.5,这一数值明显大于各种Lennard-Jones模型的密度标度指数(密度标度指数总是低于6)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Lines of invariant physics in the isotropic phase of the discotic Gay-Berne model

The Gay-Berne model is studied numerically with a choice of parameters allowing for the formation of a discotic liquid crystal at low temperatures. We show that the model has strong virial potential-energy correlations in the isotropic phase at high temperatures, i.e., it obeys the criterion for the existence of isomorphs, which are curves of approximately invariant structure and dynamics. These properties are demonstrated to be approximately invariant in reduced units along the isomorph studied. The isomorph is described well by the constant density-scaling exponent 11.5, a number that is significantly larger than the density-scaling exponents of various Lennard-Jones models that are always below 6.

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来源期刊
Journal of Non-Crystalline Solids: X
Journal of Non-Crystalline Solids: X Materials Science-Materials Chemistry
CiteScore
3.20
自引率
0.00%
发文量
50
审稿时长
76 days
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