Suppr超能文献

二维硬核晶格气体的蒙特卡罗模拟

Monte Carlo simulations of two-dimensional hard core lattice gases.

作者信息

Fernandes Heitor C Marques, Arenzon Jeferson J, Levin Yan

机构信息

Instituto de Física, Universidade Federal do Rio Grande do Sul, Caixa Postal 15051, 91501-970 Porto Alegre RS, Brazil.

出版信息

J Chem Phys. 2007 Mar 21;126(11):114508. doi: 10.1063/1.2539141.

Abstract

Monte Carlo simulations are used to study lattice gases of particles with extended hard cores on a two-dimensional square lattice. Exclusions of one and up to five nearest neighbors (NN) are considered. These can be mapped onto hard squares of varying side length, lambda (in lattice units), tilted by some angle with respect to the original lattice. In agreement with earlier studies, the 1NN exclusion undergoes a continuous order-disorder transition in the Ising universality class. Surprisingly, we find that the lattice gas with exclusions of up to second nearest neighbors (2NN) also undergoes a continuous phase transition in the Ising universality class, while the Landau-Lifshitz theory predicts that this transition should be in the universality class of the XY model with cubic anisotropy. The lattice gas of 3NN exclusions is found to undergo a discontinuous order-disorder transition, in agreement with the earlier transfer matrix calculations and the Landau-Lifshitz theory. On the other hand, the gas of 4NN exclusions once again exhibits a continuous phase transition in the Ising universality class-contradicting the predictions of the Landau-Lifshitz theory. Finally, the lattice gas of 5NN exclusions is found to undergo a discontinuous phase transition.

摘要

蒙特卡罗模拟用于研究二维正方形晶格上具有扩展硬核的粒子晶格气体。考虑了排除一个到五个最近邻(NN)的情况。这些情况可以映射到边长为λ(以晶格单位计)、相对于原始晶格倾斜一定角度的不同硬方块上。与早期研究一致,1NN排除在伊辛普适类中经历连续的有序 - 无序转变。令人惊讶的是,我们发现排除至多次近邻(2NN)的晶格气体在伊辛普适类中也经历连续相变,而朗道 - 利夫希茨理论预测该转变应处于具有立方各向异性的XY模型的普适类中。发现3NN排除的晶格气体经历不连续的有序 - 无序转变,这与早期的转移矩阵计算和朗道 - 利夫希茨理论一致。另一方面,4NN排除的气体再次在伊辛普适类中表现出连续相变,这与朗道 - 利夫希茨理论的预测相矛盾。最后,发现5NN排除的晶格气体经历不连续相变。

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验