Fifth-degree elastic energy for predictive continuum stress-strain relations and elastic instabilities under large strain and complex loading in silicon  

作　　者：Hao Chen Nikolai A.Zarkevich Valery I.Levitas Duane D.Johnson Xiancheng Zhang 

机构地区：[1]Key Laboratory of Pressure Systems and Safety,Ministry of Education,School of Mechanical and Power Engineering,East China University of Science and Technology,Shanghai 200237,China [2]Ames Laboratory,U.S.Department of Energy,Iowa State University,Ames,IA 50011-3020,USA [3]Department of Aerospace Engineering,Iowa State University,Ames,IA 50011,USA [4]Department of Mechanical Engineering,Iowa State University,Ames,IA 50011,USA [5]Department of Materials Science&Engineering,Iowa State University,Ames,IA 50011,USA

出　　处：《npj Computational Materials》2020年第1期697-704,共8页计算材料学（英文）

基　　金：V.I.L.and H.C.are supported by NSF(CMMI-1943710&MMN-1904830),ONR(N00014-16-1-2079),&XSEDE(MSS170015);N.A.Z.and D.D.J.are supported by the U.S.Department of Energy(DOE),Office of Science,Basic Energy Sciences,Materials Science&Engineering Division.Ames Laboratory is operated for DOE by Iowa State University under contract DE-AC02-07CH11358;X.C.Z.and H.C.are also sponsored by the National Key Research and Development Program of China(2018YFC1902404);the National Natural Science Foundation of China(51725503,51975211);Innovation Program of Shanghai Municipal Education Commission(2019-01-07-00-02-E00068).

摘　　要：Materials under complex loading develop large strains and often phase transformation via an elastic instability,as observed in both simple and complex systems.Here,we represent a material(exemplified for Si I)under large Lagrangian strains within a continuum description by a 5^(th)-order elastic energy found by minimizing error relative to density functional theory(DFT)results.

关 键 词：CONTINUUM energy minimizing 

分 类 号：O34[理学—固体力学]