基于蒙特卡罗模拟的离子导体热力学与动力学特性

刘金平, 蒲博伟, 邹喆乂, 李铭清, 丁昱清, 任元, 罗亚桥, 李杰, 李亚捷, 王达, 何冰, 施思齐

Investigating thermodynamic and kinetic properties of ionic conductors via Monte Carlo simulation

Jinping LIU, Bowei PU, Zheyi ZOU, Mingqing LI, Yuqing DING, Yuan REN, Yaqiao LUO, Jie LI, Yajie LI, Da WANG, Bing HE, Siqi SHI

图2 MC模拟中常见的几种二维格子气模型：(a) 二维正方格子气模型；(b) 二维六边格子气模型；(c) 二维随机格子气模型(紫色的球代表格点上的离子)

Fig. 2 Several two-dimensional lattice-gas model which used in MC simulation commonly: (a) two-dimensional square lattice-gas model; (b) two-dimensional hexagonal lattice-gas model; (c) random lattice-gas model (The purple spheres represent the ions at the lattice sites)