第41卷第6期2024年12月J.At.Mol.Phys.,2024,41:066001(9pp)Ni4Ti,沉淀相对NiTi形状记忆合金相变行为的影响原子与分子物理学报JOURNALOFATOMICANDMOLECULARPHYSICSVol.41No.6Dec.2024郑烨昆，赵睿东，于超（西南交通大学力学与航空航天学院，成都610031）摘要：采用第二近邻修正型嵌入原子势的分子动力学方法，建立了共格沉淀相与半共格沉淀相块状/柱状模型,模拟了温度诱发相变和应力诱发相变，分析了Ni.Ti,沉淀相对NiTi形状记忆合金相变行为的影响.结果表明,Ni.Ti,沉淀相本征应变诱发的弹性应力场对相变中马氏体变体类型、形核位置、分布等有重要影响：在温度诱发相变时，共格沉淀相促进部分马氏体变体的形核生长，能显著提高NiTi超弹性形状记忆合金的马氏体相变开始温度；在应力诱发相变时,Ni.Ti,沉淀相使马氏体早于无沉淀相区域形核，导致了相变应力降低、抑制了马氏体解李，减小了应力一应变曲线的滞回环。关键词：Ni4Ti,沉淀相；马氏体相变；分子动力学；马氏体解李中图分类号：0482.1EffectofNi,Ti,precipitatesonphasetransformationbehaviorofNiTisuperelasticshapememoryalloy文献标识码：AD01:10.19855/j.1000-0364.2024.066001ZHENGYe-Kun,ZHAORui-Dong,YUChao(SchoolofMechanicsandAerospace,SouthwestJiaotongUniversity,Chengdu610031,China)Abstract:Thetemperature-inducedphasetransformationandstress-inducedphasetransformationofcoherentprecipitatedphaseandsemi-coherentprecipitatedphaseblock/pillarmodelweresimulatedbymoleculardy-namicsmethodwithsecondnearestneighborcorrectionembeddedatompotential.TheeffectofNigTi;precipitatesonthephasetransformationbehaviorofNiTishapememoryalloywasanalyzed.TheresultsshowthattheelasticstressfieldinducedbytheintrinsicstrainofNixTisprecipitatedphasehasanimportanteffectonthetype,nucle-ationlocationanddistributionofmartensiticvariantsduringthephasetransformation.Duringthetemperature-inducedphasetransformation,thecoherentprecipitatedphasepromotesthenucleationandgrowthofsomemar-tensiticvariants,whichcansignificantlyincreasethemartensitictransformationstartingtemperatureofNiTishapememoryalloy.Duringthestress-inducedphasetransformation,theNi,Tisprecipitatedphasemakesthemar-tensitenucleateearlierthanthenon-precipitatedphaser...
