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9 MC模拟石墨负极中锂离子的排布:(a)/石墨插层化合物模型;(b) 离子在石墨中的传导模型;(c)Li离子插入、脱出过程中的Li离子含量与时间的关系;(d) Rüdorff- Hoffmann/石墨插层化合物模型;(e) Dumas-Hérold/石墨插层化合物模型;(f) 两种模型对应的能量值[45]
Fig. 9 Distribution of Li ions by MC simulation in graphite anode: (a) lithium/graphite intercalation compound model; (b) ionic conduction model in graphite; (c) the relationship between Li ion content and time in the process of Li ion insertion and removal; (d) Rüdorff-Hoffmann model of lithium/graphite intercalation compound; (e) dumas-Herold lithium/graphite intercalation compound model; (f) changes in energy values corresponding to the two models