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确定界面自由能的数值方法。

Numerical method for determining the interface free energy.

作者信息

Hietanen A, Lucini B

机构信息

College of Science, Swansea University, Singleton Park, Swansea, United Kingdom.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Nov;84(5 Pt 2):056702. doi: 10.1103/PhysRevE.84.056702. Epub 2011 Nov 11.

Abstract

We propose a general method (based on the Wang-Landau algorithm) to compute numerically free energies that are obtained from the logarithm of the ratio of suitable partition functions. As an application, we determine with high accuracy the order-order interface tension of the four-state Potts model in three dimensions on cubic lattices of linear extension up to L=56. The infinite volume interface tension is then extracted at each β from a fit of the finite volume interface tension to a known universal behavior. A comparison of the order-order and order-disorder interface tension at β(c) provides a clear numerical evidence of perfect wetting.

摘要

我们提出了一种通用方法(基于王-兰道算法),用于数值计算从合适的配分函数之比的对数中获得的自由能。作为一个应用,我们在高达L = 56的线性延伸的立方晶格上,高精度地确定了三维四态Potts模型的有序-有序界面张力。然后,通过将有限体积界面张力拟合到已知的普遍行为,在每个β处提取无限体积界面张力。在β(c)处对有序-有序和有序-无序界面张力的比较提供了完美润湿的明确数值证据。

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