简介:Lithiation-inducedplasticityisakeyfactorthatenablesSielectrodestomaintainlongcyclelifeinLi-ionbatteries.Westudytheplasticityofvariouslithiatedsili-conphasesbasedonfirst-principlescalculationsandiden-tifythelineardependenceoftheequivalentyieldstressonthehydrostaticpressure.Suchdependencemaycausethecompression-tensionasymmetryinanamorphousSithinfilmelectrodefromalithiationtodelithiationcycle,andleadstosubsequentratchetingoftheelectrodeaftercycliclithiation.Weproposeayieldcriterionofamorphouslithi-atedsiliconthatincludestheeffectsofthehydrostaticstressandthelithiationreaction.Wefurtherexaminethemicro-scopicmechanismofdeformationinlithiatedsiliconundermechanicalload,whichisattributedtotheflow-defectsmediatedlocalbondswitchingandcavitation.Hydrostaticcompressionconfinestheflowdefectsthuseffectivelystrength-enstheamorphousstructure,andviceversa.