Atomistic Study of Li Concentration Dependence of the Mechanical Properties of Graphite Anode in Li-ion Battery
The deformation of lithium intercalated graphite anode in Li-ion battery is studied by using molecular dynamics.The quasi-static numerical method is formulated to investigate the mechanical properties of Li-graphite intercalation compounds,LixC6.Under strain-controlling loading,the elastic constants of LixC6 are calculated at 300K.The results reveal that the variation of elasticity tensor components,Cij,are dependent on lithium concentration.With the increase of lithium concentration,elastic constants C33 and C44 rise,whereas the changes in other elasticity tensor components are unconspicuous.The relations of polycrystalline Youngs modulus and lithium concentrations are also computed.The calculations adopt three methods including Reuss model,Voigt model and Hill mean-value model.The increment of Youngs modulus is larger with the increase of lithium concentration in Reuss model than in other two models.The difference of the calculation results from the diversity of the hypothesis in the models.The result of research are in good agreement with literature data.
molecular dynamics Li-ion battery elasticity tensor Youngs modulus
X.JI Z.GUO Y.SONG J.ZHANG
Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University,Shanghai 200072, China Shanghai Institute of Applied Mathematics and Mechanics and Shanghai Key Laboratory of Mechanics in Department of Mechanics and Shanghai Key Laboratory of Mechanics in Energy and Environment Engineeri
国际会议
Sixth International Conference on Nonlinear Mechanics(第六届国际非线性力学会议)(ICNM-VI)
上海
英文
141-144
2013-08-01（万方平台首次上网日期，不代表论文的发表时间）