Giménez M C, Nieto F, Ramirez-Pastor A J
Departamento de Física, Universidad Nacional de San Luis, CONICET, Chacabuco 917, D5700BWS San Luis, Argentina.
J Chem Phys. 2006 Nov 14;125(18):184707. doi: 10.1063/1.2370875.
In the present paper, the connection between surface order-disorder phase transitions and the percolating properties of the adsorbed phase has been studied. For this purpose, four lattice-gas models in the presence of repulsive interactions have been considered. Namely, monomers on honeycomb, square, and triangular lattices, and dimers (particles occupying two adjacent adsorption sites) on square substrates. By using Monte Carlo simulation and finite-size scaling analysis, we obtain the percolation threshold theta(c) of the adlayer, which presents an interesting dependence with w/k(B)T (w, k(B), and T being the lateral interaction energy, the Boltzmann constant, and the temperature, respectively). For each geometry and adsorbate size, a phase diagram separating a percolating and a nonpercolating region is determined.
在本文中,研究了表面有序 - 无序相变与吸附相的渗流特性之间的联系。为此,考虑了存在排斥相互作用的四种晶格气体模型。具体而言,分别是蜂窝晶格、正方形晶格和三角形晶格上的单体,以及正方形衬底上的二聚体(占据两个相邻吸附位点的粒子)。通过蒙特卡罗模拟和有限尺寸标度分析,我们得到了吸附层的渗流阈值(\theta_c),它呈现出与(w/k_BT)((w)、(k_B)和(T)分别为横向相互作用能、玻尔兹曼常数和温度)的有趣依赖关系。对于每种几何结构和吸附质尺寸,确定了一个将渗流区域和非渗流区域分开的相图。