Sincerateefectofmaterialsplaysakeyroleinimpactengineering,themicroscopicmechanismofrateeffectisinvestigatedatmolecularlevelinthispaper.Theresultsshowthatrateefectonthestrengthofatomicsystemiscloselyrelatedtothecoupledevolutionofatomicmotionsandpotentiallandscapes.Accordingly,itbecomespossibletodevelopanewalgorithmofmolecularsimulation,whichcouldproperlyandefcientlydemonstratestrainrateefectunderawiderangeofloadingratesandunveilthemechanismsunderlyingthestrainrateefects.