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1、IntroductionofThermodynamicCalculationSoftware1.Thermo-Calc1.1IntroductionThermo-Calchasoverthepast30yearsgainedaworld-widereputationasthebestandmostpowerfulsoftwarepackageforthermodynamiccalculations.Thermo-CalcseriesofsoftwarehavebeendevelopedoriginallyattheDep
2、artmentofMaterialsScienceandEngineeringofKTH(RoyalInstituteofTechnology),Stockholm,Sweden,andsince1997furtherbythecompanyThermo-CalcSoftware(TCS).Theyaretheresultsofmorethan35yearsand150man-yearsR&Dandmanynational/internationalcollaborationsthroughvariousR&Dproje
3、cts.Themainproductsinclude:Thermo-Calc(includingclassicversionTCCandwindowsversionTCW),focusingonthermodynamicsbaseduponapowerfulGibbsEnergyMinimizerDICTRA(forDiffusion-ControlledphaseTRAnsformation),focusingonkineticsTC-PRISMA,focusingonnucleation,growth/dissolu
4、tionandcoarseningMICRESS(theMICRostructureEvolutionSimulationSoftware),focusingonthecalculationofmicrostructureformationbasedonthemultiphase-fieldconceptSoftwareDevelopmentKits(includingTQ-Interface,TC-APIandTC-ToolboxforMATLAB),focusingonsecondarydevelopmentbydi
5、fferentusers1.2Database•SteelsandFe-alloys•Nickel-basedsuperalloys•Magnesium-basedalloys•Solderalloys•Noblemetalalloys•Slag,moltensalts,oxidesandionicsolutions•Aqueoussolutions•Nuclearmaterials•Minerals•DatabasesfromThermotechLtd1.3CapabilityThermo-Calciswidelyus
6、edforavarietyofcalculationsincludingcalculating:•Stableandmeta-stableheterogeneousphaseequilibria•Amountsofphasesandtheircompositions•Thermochemicaldatasuchasenthalpies,heatcapacityandactivities•Transformationtemperatures,suchasliquidusandsolidus•Drivingforceforp
7、hasetransformations•Phasediagrams(binary,ternaryandmulti-component)•SolidificationapplyingtheScheil-Gullivermodel•Thermodynamicpropertiesofchemicalreactions161.4ApplicationsAlloydevelopment•Consideringthechemicalvariationofthealloyonthephasesthatform,theamountsan
8、dcompositionsofthosephasesandthephasetransformationtemperatures.•Pre-screeninglargenumbersofpotentialcandidatecompositionstoguideexperiments.•Optimizingheattre
