alli合金时效及回归机制的计算机模拟

alli合金时效及回归机制的计算机模拟

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时间:2019-02-14

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1、AbstractAbstractInthispaper,theatomic-scalecomputersimulationsonretrogressionandageing-reageingofAl-Lialloyswerefirstlyworkedout.Thecomputersimulationarebasedonthemicroscopicdifusionequationwiththediscreteformatandnonequilibriumfreeenergy,whichcanbeappliedtoallprectpttationprocess,includingato

2、micclustering,ordering,growthandcoarsening,andthecounterprocesssuchasdisorderinganddissolutionduringretrogression,andthecompositionalregionsfrommetastabletoinstable.Itcomesfromnonlinearequation,andcanbeappliedtothesystemwithhighercompositionalgradation.Furthermore,Anypriorassumptiononthenewpha

3、sestructureorthemechanismsofprecipitationandretrogressionwasunnecessary,theemergenceanddissipationofpossiblenonequilibriumphasescouldbedescribedautomaticallywithoutanydatabasetosupport,andatomicpictures,orderparameters,volumefractions,structurefunctionandcorrelationfunctionofprecipitatescouldb

4、efurtherobtainedFordiferentvolumefractions,structurefunctionandcorrelationfunctionwerebothscaledatlatestageofphaseprecipitation,butthepeakandshapeofscalingstructurefunctionprofileswerediferent,themaximumvalueofwhichincreasedwiththevolumefractions.Whenskippingtoinstableregions,thevariationsofst

5、ructurefunctionprofileswithtimewerethesame:thepeakofstructurefunctionwasdecreasedandthelocationofthepeakofthestructurefunctionshiftedtowardssmallerreducedwavevectorsInthecourseofretrogression,theevolutionsofS'phasewereintheorder:stoicheometricS'phase-nonstoicheometricorderedphase--disorderedma

6、trix,includingthedifusionofsoluteatomsandthedisorderingoforderedphases.Thesolute-richregionswereformedaroundtheorderedphasesasthephasesweredissolvedduringtheretrogression,andintheend,theorderedphaseswouldbereplacedbysolute-richregionscompletely.Buttheprocessofsolute-richregionsturningintodisor

7、deredmatrixwasveryslow,anditwashardtocomebacktotheoriginalstatesduringretrogressionThemechanismsofphaseprecipitationwereverydiferentatdiferentcompositionalregionsfrommetastabletoinstable,whilethemechanismsofretrogressionwereconsistent:t

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