一种确定界面自由能的数值方法
A numerical method for determining the interface free energy
摘要:
我们提出了一个通用的方法(基于王-朗道算法)来计算数值自由能,从合适的配分函数的比率的对数。作为应用,我们确定了高精度的顺序顺序界面张力的四态Potts模型在三维立方晶格的线性扩展到L=56。无限体积界面张力,然后提取在每个β从一个适合的有限体积界面张力到一个已知的普遍行为。在临界值β下的有序-有序和有序-无序界面张力的比较提供了完美润湿的明确的数值证据。
英文摘要:
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 beta 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 the critical value of beta provides a clear numerical evidence of perfect wetting.
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