期刊
JOURNAL OF POWER SOURCES
卷 207, 期 -, 页码 150-159出版社
ELSEVIER
DOI: 10.1016/j.jpowsour.2012.01.145
关键词
Li-ion battery; Li-Si alloy; Modified embedded atom method; Particle swarm optimization; Disordered-ordered transition
资金
- ISEN at Northwestern University
A second nearest-neighbor modified embedded atom method (2NN MEAM) interatomic potential for lithium-silicon (Li-Si) alloys is developed by using the particle swarm optimization (PSO) method in conjunction with ab initio calculations. It is shown that the new interatomic potential is capable of simulating the transition from disordered to ordered states of Li-Si crystalline structures, an indication of the stability and robustness of the interatomic potential at finite temperature. Examples are given to demonstrate that the new interatomic potential is also capable of predicting the material properties of both crystalline and amorphous Li-Si alloys, including the elastic modulus, compositional expansion, diffusivity of Li in Li-Si alloys, plastic yield strength, etc. (C) 2012 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据