cualni合金的meam势函数优化及其马氏体相变本构分析word格式论文.docx

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cualni合金的meam势函数优化及其马氏体相变本构分析word格式论文.docx

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cualni合金的meam势函数优化及其马氏体相变本构分析word格式论文

AbstractNowadays,applicationsofShapeMemoryAlloy(SMA)becomemoreandmorepopularinmanyareas.Itisbasedonthemartensitictransformation(MT)underthetemperatureandstressenvironmentchange.However,lackofexperimentalcapabilitiesconstraintsdeeperunderstandingofthedetailsandmechanismofMT.ThisobstructsthedevelopmentofSMA.Thus,advancinginthemechanismofMTbecomesoneofthemostimportantissuesinsolidtransformationfield.ToobtaindetailsofMT,thisworkapplymolecurlardynamicsmethod(MD)tosimulatetheMTandthereverseMTofCuAlNialloy.Thepotentialisoptimized,andthestraininobtainedmartensitescalculated.Finally,combingtheatomisticstress，wegainthemoreunderstandingofconstutiverelationsofMT. Thisthesisconcernsthreepartsofwork:Computationofelasticconstantsbyanewdeformation-fluctuationmethodunderfinitetemperatures.Basedonliteraturework,thenewmethod improvesvastlyon accuracy,applicabilityandcomputationalspeed,especiallyforcomplicatedmany-bodypotentials.Thismethodiswidelyusedinthepotentialparameteroptimization.MEAMpotentialparameteroptimizationofternaryalloyCuAlNi.MEAM potentialissemi-empiricalandcontainsalargeselectionofadjustableparameters.For bettersimulationofforwardandinversemartensitictransformationofCuAlNi,asoftwareincorporatingGeneticsAlgrorithmisdevelopedtooptimizetheparameter. Theyareappliedinthesimulationsofthermal-elasticandstress-inducedmartensitictransformationinCuAlNi.Microstructuresofstackingfaultsandtwinsareobtained,as wellasthehysteresis.Analysisofconstitutiverelationsinmartensitictransformation.Amicro-analysisoflocaldeformationgradientandthusstrainisdevelopedforthestackingfaultbasedmicrostructures.Withtheatomisticstress,theanalysisofconstitutiverelationsinmartensitictransformationiscompleted.Themethoddevelopedandtheresultsobtainedinthisthesiswillpromotetheresearchofmechanismofmartensitictransformation.Keywords：Cu-Al-Nialloy;martensitictransformation;moleculardynamics;MEAM; transformationconstitutiverelations目录摘要.................................................................................