JMatPro计算原理探讨课件

JMatPro计算原理探讨动态物理模型的建立强大的金属材料数据库广泛且经实验验证的计算结果JMatPro计算原理探讨Modellingpropertiesandbehaviour:JMatPro材料性能模拟：JMatProModellingpropertiesandbehav

3.1ThermodynamicCalculations:Background热动力学计算原理BasicequationfortheGibbsEnergyofamulti-componentSolutionPhase多元合金固溶相吉布斯自由能基本方程Gibbsenergyofpurecomponents纯组元的吉布斯自由能Idealentropy理想状态下的焓Interactionterms(Basedonpairwiseinteractions)相互作用项（基于两两之间相互作用）3.1ThermodynamicCalculatio3.2PhaseTransformationKinetics:Model相转变动力学模型:(用于钢的)

GeneralEquationforTTTcalculationisafterKirkaldyetal.(TTT计算的一般方程：Kirkaldyetal.)=2(G-1)/2,isanempiricalcoefficient,GistheASTMgrainsize,Disaneffectivediffusioncoefficient,Tistheundercooling,qisanexponent3.2PhaseTransformationKine

dependentontheeffectivediffusionmechanismandxisthefractiontransformed.(=2(G-1)/2,是一个经验系数，G是晶粒尺寸，D是有效扩散系数，T是过冷度，q是一个取决于有效扩散机制的指数。X是转变的百分数)dependentontheeffective3.2.1Martensitictransformations马氏体转变

3.2.1Martensitictransformat3.2.2PhaseTransformations(TTT/CCTdiagrams)相转变（TTT/CCT相图）CalculatedTTTdiagramsforU720andU720LIwithexperimentalresultsofKeefeetal.superimposed.对U720和U720LI所计算的TTT曲线与Keefeetal.的实验结果比较3.2.2PhaseTransformationsCa3.2.3PhaseTransformations(g/gcoarsening)相转变（γ/γ晶粒的长大

）晶粒的计算长大率与实验得到的长大率的比较3.2.3PhaseTransformations(g3.2.2PhaseTransformations(TTT/CCTdiagrams)相转变（TTT/CCT相图）7183.2.2PhaseTransformations7CalculatedTTTdiagramforthesinglecrystalalloyRR2071withexperimentalresultsofRaeatal.superimposed3.2.2PhaseTransformations(TTT/CCTdiagrams)相转变（TTT/CCT相图）RR2071合金计算的TTT曲线与Raeatal.的实验结果的比较CalculatedTTTdiagramforthe3.3BackgroundtoPropertyCalculations物理/热物理性能计算背景知识PropertyofaSolutionPhase固溶相性能Propertyofpurecomponents纯组元时的性能Interactionterms(Basedonpairwiseinteractions)相互作用项（基于相与相两两之间相互作用）

3.3BackgroundtoPropertyCa3.4MechanicalProperties机械性能Twotypesofstrengtheningmechanismaretreated.

可考虑两种强化机制Solidsolutionstrengthening.固溶强化Particlestrengthening.第二相粒子强化3.4MechanicalPropertiesTwo3.4.1MechanicalProperties(PrecipitationHardening)机械性能（析出强化）Theyieldstrengthofanalloyhardenedbyg’particlescanbegivenbytheequationbelowforsmallparticles微小γ‘粒子对合金的屈服强度的强化效果可用以下方程来衡量YS0andYS1=yieldstressofthematrixandalloyM=Taylorfactor b=burger’svector3.4.1MechanicalPropertiesA=shapedependentconstant d=ppt.diameterτ

=linetensionofadislocation f=volfractionγ'γ=APBenergyYS0和YS1=晶格屈服强度和合金屈服强度M=泰勒系数 b=柏氏矢量A=形状因子常量d=析出粒子直径τ=位错的线张力 f=γ‘体积分数γ=APB能量A=shapedependentconstant Forlargerparticlestheequationbelowcanbeused

对于大尺寸的粒子，强化效果用下面方程来衡量ω=constantthataccountsforrepulsionofdislocationswithintheprecipitates(essentiallyanempiricallyadjustableparameter).ω=一个表明析出物内部位错间斥力的常数（实质上是一个经验系数）3.4.1MechanicalProperties(PrecipitationHardening)机械性能（析出强化）Forlargerparticlestheequat3.4.2MechanicalProperties机械性能屈服强度的计算值与实验值的比较3.4.2MechanicalProperties屈服强3.4.3ComparisonofMechanicalPropertiesforNi-basedSuperalloys镍基超合金机械性能实验与计算值的比较3.4.3ComparisonofMechanica3.4.4AgeingResponseofaNi-basedSuperalloy(combiningcoarseningandpptnhardening)镍基超合金时效效应（综合晶粒长大和析出强化）3.4.4AgeingResponseofaNi3.5HighTempMechanicalProperties(creep)高温机械性能（蠕变）GeneralCreepEquation蠕变一般方程A=Materialconstant D=effectivediffusioncoeffSFE=stackingfaultenergy G=shearmodulusb=burger’svector σ=appliedstressσo=backstress E=Young’smodulusm=3 n=creepexponent3.5HighTempMechanicalPropeA=材料常数 D=有效扩散系数SFE=层错能 G=剪切模量b=柏氏矢量 σ=外加应力σo=背应力 E=杨氏模量m=3 n=蠕变指数A=材料常数 D=有效扩散3.5.1HighTempMechanicalProperties(creep)高温机械性能（蠕变）蠕变率的计算值与实验值的比较3.5.1HighTempMechanicalProAsrupturestrengthisanalternativedesigncriterioninmanypracticalcases,thecalculationprocedurehasbeenextendedtoincludethispropertybyusinganinverserelationshipbetweenstressrupturelifeandsecondarycreeprate在许多实际情况中，断裂强度是一个可供选择的设计标准。我们的软件现在已经能够计算蠕变强度，这是通过利用蠕变断裂应力与蠕变率的对立关系间接得到的。3.5.2HighTempMechanicalProperties(creep)高温机械性能（蠕变）AsrupturestrengthisanalteComparisonbetweenexperimentalandcalculated1000hrrupturestrengthsforvariouswroughtNi-basedsuperalloys3.5.3HighTempMechanicalProperties(creep)高温机械性能（蠕变）成分不同的各种镍基超合金1000小时断裂强度实验值与计算值的比较。ComparisonbetweenexperimentaComparisonbetweenexperimentalandcalculatedrupturelifeforvarioussinglecrystalsuperalloys3.5.4HighTempMechanicalProperties(creep)高温机械性能（蠕变）各种单晶超合金断裂寿命的实验值与计算值的比较。ComparisonbetweenexperimentaThecreepcalculationshavebeencombinedwiththeearlierlowtemperatureyieldstresscalculationstomodeltheflowstressofNi-basedsuperalloysatraisedtemperatures.蠕变计算已经综合了早期低温屈服应力计算，用来模拟镍基超合金随温度升高时的流体应力。3.6HighTempMechanicalProperties高温机械性能ThecreepcalculationshavebeThedecayinRTyieldstresswithiswellmatchedusinganequationofthefollowingtype高温情况下，室温屈服应力的衰减与下面方程所给出的结果相吻合。

whereαandβareconstantsdirectlyrelatedtoσRTandthevalueofQ,whichisdeterminedempiricallythroughregressionanalysis.3.6HighTempMechanicalProperties高温机械性能ThedecayinRTyieldstressw在这里，α和β都是与室温强度σRT

和激活能Q值直接相关的常量。Q值的大小一般是通过回归分析凭经验来确定的。在这里，α和β都是与室温强度σRT和激活能Q值直接相关的Asthetemperatureisraisedtohighlevelsthealloywillyieldviacreepwhenthestrainrateofthemechanicaltestisequaltoorslowerthanthecreeprateatthetestingtemperature.当温度升到较高的检测温度下，试验机的拉伸速率等于或小于蠕变速率时，合金将发生蠕变屈服。Thiscanbecombinedwiththepreviousrelationship3.6HighTempMechanicalProperties高温机械性能AsthetemperatureisraisedttogivemechanicalpropertiesfromRTtothemeltingpoint把蠕变效应和其它因素结合起来，这样我们就可以给出从室温到材料熔点区间范围内材料的机械性能。togivemechanicalpropertiesComparisonbetweenexperimentalandcalculatedyieldstressforNimonic75and105asafunctionoftemperature.3.6HighTempMechanicalProperties高温机械性能75和105镍基合金实验与计算情况下强度随温度的变化的比较ComparisonbetweenexperimentaComparisonbetweenexperimentalandcalculatedyieldstressatforvariouswroughtsuperalloysandpureNibetweenRTand1000ºC.不同质量百分数的超合金以及纯镍在室温和1000ºC时,屈服应力的实验与计算值的比较3.6HighTempMechanicalProperties高温机械性能Comparisonbetweenexperimenta3.7更多计算原理信息3.7更多计算原理信息3.7更多计算原理信息D:\ProgramFiles\JMatPro-4.0\docs\pdfwww.sentesoftware.co.ukAboutus-Profile

-Bibliography（参考书目）

3.7更多计算原理信息JMatPro计算原理探讨动态物理模型的建立强大的金属材料数据库广泛且经实验验证的计算结果JMatPro计算原理探讨Modellingpropertiesandbehaviour:JMatPro材料性能模拟：JMatProModellingpropertiesandbehav

3.1ThermodynamicCalculations:Background热动力学计算原理BasicequationfortheGibbsEnergyofamulti-componentSolutionPhase多元合金固溶相吉布斯自由能基本方程Gibbsenergyofpurecomponents纯组元的吉布斯自由能Idealentropy理想状态下的焓Interactionterms(Basedonpairwiseinteractions)相互作用项（基于两两之间相互作用）3.1ThermodynamicCalculatio3.2PhaseTransformationKinetics:Model相转变动力学模型:(用于钢的)

GeneralEquationforTTTcalculationisafterKirkaldyetal.(TTT计算的一般方程：Kirkaldyetal.)=2(G-1)/2,isanempiricalcoefficient,GistheASTMgrainsize,Disaneffectivediffusioncoefficient,Tistheundercooling,qisanexponent3.2PhaseTransformationKine

dependentontheeffectivediffusionmechanismandxisthefractiontransformed.(=2(G-1)/2,是一个经验系数，G是晶粒尺寸，D是有效扩散系数，T是过冷度，q是一个取决于有效扩散机制的指数。X是转变的百分数)dependentontheeffective3.2.1Martensitictransformations马氏体转变

3.2.1Martensitictransformat3.2.2PhaseTransformations(TTT/CCTdiagrams)相转变（TTT/CCT相图）CalculatedTTTdiagramsforU720andU720LIwithexperimentalresultsofKeefeetal.superimposed.对U720和U720LI所计算的TTT曲线与Keefeetal.的实验结果比较3.2.2PhaseTransformationsCa3.2.3PhaseTransformations(g/gcoarsening)相转变（γ/γ晶粒的长大

）晶粒的计算长大率与实验得到的长大率的比较3.2.3PhaseTransformations(g3.2.2PhaseTransformations(TTT/CCTdiagrams)相转变（TTT/CCT相图）7183.2.2PhaseTransformations7CalculatedTTTdiagramforthesinglecrystalalloyRR2071withexperimentalresultsofRaeatal.superimposed3.2.2PhaseTransformations(TTT/CCTdiagrams)相转变（TTT/CCT相图）RR2071合金计算的TTT曲线与Raeatal.的实验结果的比较CalculatedTTTdiagramforthe3.3BackgroundtoPropertyCalculations物理/热物理性能计算背景知识PropertyofaSolutionPhase固溶相性能Propertyofpurecomponents纯组元时的性能Interactionterms(Basedonpairwiseinteractions)相互作用项（基于相与相两两之间相互作用）

3.3BackgroundtoPropertyCa3.4MechanicalProperties机械性能Twotypesofstrengtheningmechanismaretreated.

可考虑两种强化机制Solidsolutionstrengthening.固溶强化Particlestrengthening.第二相粒子强化3.4MechanicalPropertiesTwo3.4.1MechanicalProperties(PrecipitationHardening)机械性能（析出强化）Theyieldstrengthofanalloyhardenedbyg’particlescanbegivenbytheequationbelowforsmallparticles微小γ‘粒子对合金的屈服强度的强化效果可用以下方程来衡量YS0andYS1=yieldstressofthematrixandalloyM=Taylorfactor b=burger’svector3.4.1MechanicalPropertiesA=shapedependentconstant d=ppt.diameterτ

=linetensionofadislocation f=volfractionγ'γ=APBenergyYS0和YS1=晶格屈服强度和合金屈服强度M=泰勒系数 b=柏氏矢量A=形状因子常量d=析出粒子直径τ=位错的线张力 f=γ‘体积分数γ=APB能量A=shapedependentconstant Forlargerparticlestheequationbelowcanbeused

对于大尺寸的粒子，强化效果用下面方程来衡量ω=constantthataccountsforrepulsionofdislocationswithintheprecipitates(essentiallyanempiricallyadjustableparameter).ω=一个表明析出物内部位错间斥力的常数（实质上是一个经验系数）3.4.1MechanicalProperties(PrecipitationHardening)机械性能（析出强化）Forlargerparticlestheequat3.4.2MechanicalProperties机械性能屈服强度的计算值与实验值的比较3.4.2MechanicalProperties屈服强3.4.3ComparisonofMechanicalPropertiesforNi-basedSuperalloys镍基超合金机械性能实验与计算值的比较3.4.3ComparisonofMechanica3.4.4AgeingResponseofaNi-basedSuperalloy(combiningcoarseningandpptnhardening)镍基超合金时效效应（综合晶粒长大和析出强化）3.4.4AgeingResponseofaNi3.5HighTempMechanicalProperties(creep)高温机械性能（蠕变）GeneralCreepEquation蠕变一般方程A=Materialconstant D=effectivediffusioncoeffSFE=stackingfaultenergy G=shearmodulusb=burger’svector σ=appliedstressσo=backstress E=Young’smodulusm=3 n=creepexponent3.5HighTempMechanicalPropeA=材料常数 D=有效扩散系数SFE=层错能 G=剪切模量b=柏氏矢量 σ=外加应力σo=背应力 E=杨氏模量m=3 n=蠕变指数A=材料常数 D=有效扩散3.5.1HighTempMechanicalProperties(creep)高温机械性能（蠕变）蠕变率的计算值与实验值的比较3.5.1HighTempMechanicalProAsrupturestrengthisanalternativedesigncriterioninmanypracticalcases,thecalculationprocedurehasbeenextendedtoincludethispropertybyusinganinverserelationshipbetweenstressrupturelifeandsecondarycreeprate在许多实际情况中，断裂强度是一个可供选择的设计标准。我们的软件现在已经能够计算蠕变强度，这是通过利用蠕变断裂应力与蠕变率的对立关系间接得到的。3.5.2HighTempMechanicalProperties(creep)高温机械性能（蠕变）AsrupturestrengthisanalteComparisonbetweenexperimentalandcalculated1000hrrupturestrengthsforvariouswroughtNi-basedsuperalloys3.5.3HighTempMechanicalProperties(creep)高温机械性能（蠕变）成分不同的各种镍基超合金1000小时断裂强度实验值与计算值的比较。ComparisonbetweenexperimentaComparisonbetweenexperimentalandcalculatedrupturelifeforvarioussinglecrystalsuperalloys3.5.4HighTempMechanicalProperties(creep)高温机械性能（蠕变）各种单晶超合金断裂寿命的实验值与计算值的比较。ComparisonbetweenexperimentaThecreepcalculationshavebeencombinedwiththeearlierlowtemperatureyieldstresscalculationstomodeltheflowstressofNi-basedsuperalloysatraisedtemperatures.蠕变计算已经综合了早期低温屈服应力计算，用来模拟镍基超合金随温度升高时的流体应力。3.6HighTempMechanicalProperties高温机械性能ThecreepcalculationshavebeThedecayinRTyieldstresswithiswellmatchedusinganequationofthefollowingtype高温情况下，室温屈服应力的衰减与下面方程所给出的结果相吻合。

whereαandβareconstantsdirectlyrela