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.
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).
