Rate effect and coupled evolution of atomic motions and potential landscapes

(整期优先)网络出版时间:2013-05-15
/ 1
Sincerateefectofmaterialsplaysakeyroleinimpactengineering,themicroscopicmechanismofrateeffectisinvestigatedatmolecularlevelinthispaper.Theresultsshowthatrateefectonthestrengthofatomicsystemiscloselyrelatedtothecoupledevolutionofatomicmotionsandpotentiallandscapes.Accordingly,itbecomespossibletodevelopanewalgorithmofmolecularsimulation,whichcouldproperlyandefcientlydemonstratestrainrateefectunderawiderangeofloadingratesandunveilthemechanismsunderlyingthestrainrateefects.