文献类型：期刊文献

中文题名：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[1];Nikolai A.Zarkevich[2];Valery I.Levitas[2,3,4];Duane D.Johnson[2,5];Xiancheng Zhang[1]

机构：[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

年份：2020

期号：1

起止页码：697

中文期刊名：npj Computational Materials

外文期刊名：计算材料学（英文）

收录：CSCD:【CSCD2019_2020】；

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).

语种：英文

中文关键词：continuum;energy;minimizing;

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.