JMatPro计算原理探讨课件.ppt

1、JMatPro计算原理探讨计算原理探讨 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Modelling properties and behaviour:JMatPro材料性能模拟：材料性能模拟：JMatPro 3.1 Thermodynamic Calculations:Background 热动力学计算原理热动力学计算原理iiiijvvjivjiieioiim)x(xxxxlogxRTGxGBasic equation for the Gibbs Energy of a multi-component Solution Phase 多元合金固溶相吉布斯自由能基本方程Gi

2、bbs energy of pure components纯组元的吉布斯自由能Ideal entropy理想状态下的焓Interaction terms(Based on pairwise interactions)相互作用项（基于两两之间相互作用）3.2 Phase Transformation Kinetics:Model 相相转变动力学模型转变动力学模型:(用于钢的用于钢的)General Equation for TTT calculation is after Kirkaldy et al.(TTT计算的一般方程：Kirkaldy et al.)2(1)/32/301(,)(1)xq

3、xxdxx TD Txx=2(G-1)/2,is an empirical coefficient,G is the ASTM grain size,D is an effective diffusion coefficient,T is the undercooling,q is an exponent dependent on the effective diffusion mechanism and x is the fraction transformed.(=2(G-1)/2,2(G-1)/2,是一个经验系数，是一个经验系数，G G是晶粒尺寸，是晶粒尺寸，D D是是有效扩散系数，有效

4、扩散系数，T T 是过冷度，是过冷度，q q 是一个取决于有效是一个取决于有效扩散机制的指数。扩散机制的指数。X X是转变的百分数是转变的百分数)3.2.1 Martensitic transformations 马氏体转变马氏体转变 0.11101001000100001000000.1110100100010000 100000Exp.time at nose(s)Calc.time at nose(s)ASM atlasEn steels3.2.2 Phase Transformations(TTT/CCT diagrams)相转变（相转变（TTT/CCT相图）相图）Calculated

5、 TTT diagrams for U720 and U720LI with experimental results of Keefe et al.superimposed.对U720 和 U720LI 所计算的TTT曲线与Keefe et al.的实验结果比较0.111010010000.11101001000Experimental coarsening rates(nm/hour1/3)Calculated coarsening rates(nm/hours1/3)Ni-AlNimonic 80ANimonic 90Nimonic 105Nimonic 115Nimonic 263PE

6、11PE16PK 33Udimet 700IN-7383.2.3 Phase Transformations(g g/g g coarsening)相转变（相转变（/晶粒的长大晶粒的长大）晶粒的计算长大率与实验得到的长大率的比较3.2.2 Phase Transformations(TTT/CCT diagrams)相转变（相转变（TTT/CCT相图）相图）1000 1100 1200 1300 1400 1500 1600 1700 1800 1900 2000 0.01 0.1 1 10 100 1000 10000 Time(hours)Temperature F 718 g”g 718

7、60080010001200110100100010000Time(hrs)Temperature(C)P33RR2071Calculated TTT diagram for the single crystal alloy RR2071 with experimental results of Rae at al.superimposed3.2.2 Phase Transformations(TTT/CCT diagrams)相转变（相转变（TTT/CCT相图）相图）RR2071合金计算的TTT曲线与Rae at al.的实验结果的比较3.3 Background to Property C

8、alculations 物理物理/热物理热物理性能计算背景知识性能计算背景知识iiijvvjivjioii)x(xxxPxPProperty of a Solution Phase 固溶相性能Property of pure components 纯组元时的性能Interaction terms(Based on pairwise interactions)相互作用项（基于相与相两两之间相互作用）3.4 Mechanical Properties机械性能机械性能Two types of strengthening mechanism are treated.可考虑两种强化机制可考虑两种强化机制

9、Solid solution strengthening.固溶强化固溶强化Particle strengthening.第二相粒子强化第二相粒子强化3.4.1 Mechanical Properties (Precipitation Hardening)机械性能（析出强化）机械性能（析出强化）The yield strength of an alloy hardened by g g particles can be given by the equation below for small particles微小微小粒子对粒子对合金的屈服强度的强化效果可用以下方合金的屈服强度的强化效果可用以

10、下方程来衡量程来衡量ggffdAb2MYSYS2/101YS0 and YS1=yield stress of the matrix and alloyM=Taylor factorb=burgers vector A=shape dependent constant d=ppt.diameter =line tension of a dislocation f=vol fraction =APB energy YS0 和和 YS1=晶格屈服强度和合金屈服强度晶格屈服强度和合金屈服强度 M=泰勒系数泰勒系数 b=柏氏矢量柏氏矢量 A=形状因子常量形状因子常量 d=析出粒子直径析出粒子直径 =位

11、错的线张力位错的线张力 f=体积分数体积分数=APB 能量能量For larger particles the equation below can be used 对于大尺寸的粒子，强化效果用下面方程来衡量对于大尺寸的粒子，强化效果用下面方程来衡量 2/12/1011d28.1bd2fM72.1YSYSg=constant that accounts for repulsion of dislocations within the precipitates(essentially an empirically adjustable parameter).=一个表明析出物内部位错间斥力的常数（

12、实质上是一个经验系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）数）3.4.1 Mechanical Properties (Precipitation Hardening)机械性能（析出强化）机械性能（析出强化）0200400600800100002004006008001000Experimental 0.2%Proof Stress(MPa)Calculated 0.2%Proof Stress(MPa)Austenitic stainless steelsFerritic stainless steelsDuplex stainless steelsNickel-based

13、 alloys3.4.2 Mechanical Properties机械性能机械性能屈服强度的计算值与实验值的比较020040060080010001200140016000102030405060708090100Particle Diameter(nm)0.2%Proof Stress,MPa650C700750C800Cf=0.2201f=0.2019f=0.1783f=0.147320Cr-1.2Co-2.4Ti-1.5Al 3.4.3 Comparison of Mechanical Properties for Ni-based Superalloys 镍基超合金机械性能实验与计算

14、值的比较镍基超合金机械性能实验与计算值的比较0200400600800100012001400160002004006008001000 1200 1400 1600Exp.0.2%Proof Stress(MPa)Calc.0.2%Proof Stress(MPa)Nimonic 80ANimonic 90Nimonic 105Nimonic 263Nimonic PE11Nimonic PE16Nimonic PK 33Udimet 700Udimet 720Rene 183.4.4 Ageing Response of a Ni-based Superalloy(combining co

15、arsening and pptn hardening)镍基超合金时效效应（综合晶粒长大和析出强化）镍基超合金时效效应（综合晶粒长大和析出强化）02004006008001000120014000102030405060708090100Particle Diameter(nm)0.2%Proof Stress(MPa)78MelNimonic 80A 02004006008001000120014000.1110100100010000Time(hours)0.2%Proof Stress(MPa)Calc78MelNimonic 80A 3.5 High Temp Mechanical P

16、roperties(creep)高温机械性能（蠕变）高温机械性能（蠕变）General Creep Equation蠕变一般方程蠕变一般方程nmoSFEA DGbE&A=Material constant D=effective diffusion coeffSFE=stacking fault energy G=shear modulusb=burgers vector =applied stresso=back stressE=Youngs modulusm=3n=creep exponent A=材料常数材料常数 D=有效扩散系数有效扩散系数SFE=层错能层错能 G=剪切模量剪切模量b=

17、柏氏矢量柏氏矢量 =外加应力外加应力o=背应力背应力 E=杨氏模量杨氏模量m=3n=蠕变指数蠕变指数0.0010.010.111010010000.0010.010.11101001000Calculated Creep Rates(10-7)s-1Experimental Creep Rates(10 -7)s-1Alloy 625Alloy 718Alloy 800INCX750Mar 246Mar-M002Nimonic 75Nimonic 80ANimonic 90Nimonic105Nimonic 115Udimet 500Udimet 520Udimet 700Waspaloy3.

18、5.1 High Temp Mechanical Properties(creep)高温机械性能（蠕变）高温机械性能（蠕变）蠕变率的计算值与蠕变率的计算值与实验值的比较实验值的比较As rupture strength is an alternative design criterion in many practical cases,the calculation procedure has been extended to include this property by using an inverse relationship between stress rupture life a

19、nd secondary creep rate 在许多实际情况中，断裂强度是一个可供选择的设计标准。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。断裂应力与蠕变率的对立关系间接得到的。3.5.2 High Temp Mechanical Properties(creep)高温机械性能（蠕变）高温机械性能（蠕变）0200400600800100002004006008001000Exp.1000hr Rupture Strength (MPa)Cal

20、c.1000hr Rupture Strength(MPa).Inconel 601Inconel 617Inconel 625Inconel 718Inconel X750Nimonic 75Nimonic 80ANimonic 81Nimonic 86Nimonic 90Nimonic 105Nimonic 115Nimonic 263Nimonic 901Nimonic PE11Nimonic PE16Nimonic PK33Rene 41Rene 95Udimet 520Udimet 720Udimet D-979WaspaloyComparison between experimen

21、tal and calculated 1000hr rupture strengths for various wrought Ni-based superalloys3.5.3 High Temp Mechanical Properties(creep)高温机械性能（蠕变）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。Comparison between experimental and calculated rupture life for various single crystal superalloys101001000100001000001

22、0100100010000100000Exp.Rupture Life(hrs)Calc.Rupture Life(hrs)GE#11CMSX-2CMSX-3CMSX-4CMSX-486CMSX-10CMSX-11BMCMXONPWA 1480PWA 1484Ren N6TMSYH613.5.4 High Temp Mechanical Properties(creep)高温机械性能（蠕变）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。The creep calculations have been combined with the earlier low tempera

23、ture yield stress calculations to model the flow stress of Ni-based superalloys at raised temperatures.蠕变计算已经综合了早期低温屈服应力计算，用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。来模拟镍基超合金随温度升高时的流体应力。3.6 High Temp Mechanical Properties 高温机械性能高温机械性能The decay in RT yield stress with is well matched using an equation

24、 of the following type 高温情况下，室温屈服应力的衰减与下面方程所高温情况下，室温屈服应力的衰减与下面方程所给出的结果相吻合。给出的结果相吻合。()expQTaRTwhere and are constants directly related to RT and the value of Q,which is determined empirically through regression analysis.3.6 High Temp Mechanical Properties 高温机械性能高温机械性能在这里，在这里，和和 都是与室温强度都是与室温强度RTRT 和激活

25、能和激活能Q Q值直接相关的常量。值直接相关的常量。Q Q值的大小一般是通过回归值的大小一般是通过回归分析凭经验来确定的。分析凭经验来确定的。As the temperature is raised to high levels the alloy will yield via creep when the strain rate of the mechanical test is equal to or slower than the creep rate at the testing temperature.当温度升到较高的检测温度下，试验机的拉伸速当温度升到较高的检测温度下，试验机的拉伸

26、速率等于或小于蠕变速率时，合金将发生蠕变屈服。率等于或小于蠕变速率时，合金将发生蠕变屈服。This can be combined with the previous relationship3.6 High Temp Mechanical Properties 高温机械性能高温机械性能to give mechanical properties from RT to the melting point把蠕变效应和其它因素结合起来，这样我们就可以给出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。从室温到材料熔点区间范围内材料的机械性能。01002003

27、004005006007008009000200400600800100012001400Temperature(oC)Yield stress(MPa)Calc.76Nimonic 75Nimonic 105Comparison between experimental and calculated yield stress for Nimonic 75 and 105 as a function of temperature.3.6 High Temp Mechanical Properties 高温机械性能高温机械性能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010020

28、0300400500600700800900100011001200020040060080010001200Experimental Yield Stress(MPa)Calc.Yield Stress(MPa)Pure NickelNimonic 75Nimonic 80ANimonic 90Nimonic 105Nimonic 115Nimonic 263Nimonic 901Nimonic PE11Nimonic PE16Nimonic PK33Nimonic PK33Hastelloy XInconel 625Inconel 718Inconel X750Udimet R41Udim

29、et 520Udimet 700Udimet 720Udimet D979WaspaloyComparison between experimental and calculated yield stress at for various wrought superalloys and pure Ni between RT and 1000C.不同质量百分数的超合金以及纯镍在室温和1000C时,屈服应力的实验与计算值的比较3.6 High Temp Mechanical Properties 高温机械性能高温机械性能3.7 更多计算原理信息更多计算原理信息3.7 更多计算原理信息更多计算原理信息D:Program FilesJMatPro-4.0docspdfwww.sentesoftware.co.uk About us -Profile-Bibliography（参考书目）