Microstructural Design of Advanced Engineering Materials

517 Pages·2013·11.91 MB·English

by  Dmitri A. Molodov(eds.)

Editedby
DmitriA.Molodov
MicrostructuralDesignof
AdvancedEngineering
Materials
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Edited by Dmitri A. Molodov
Microstructural Design of Advanced
Engineering Materials
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j
V
Contents
Preface XV
ListofContributors XVII
PartI MaterialsModelingandSimulation:CrystalPlasticity,Deformation,
andRecrystallization 1
1 Through-ProcessModelingofMaterialsFabrication:Philosophy,
CurrentState,andFutureDirections 3
Gu€nterGottstein
1.1 Introduction 3
1.2 MicrostructureEvolution 5
1.3 MicrostructuralProcesses 6
1.4 Through-ProcessModeling 10
1.5 FutureDirections 14
References 16
2 ApplicationoftheGeneralizedSchmidLawinMultiscaleModels:
OpportunitiesandLimitations 19
PaulVanHoutte
2.1 Introduction 19
2.2 CrystalPlasticity 20
2.2.1 GeneralizedSchmidLaw 22
2.2.2 CalculationofSlipRates,LatticeRotation,andStressfromaPrescribed
Deformation 23
2.2.3 TaylorFactor 26
2.3 PolycrystalPlasticityModelsforSingle-PhaseMaterials 27
2.3.1 SachsModel 28
2.3.2 TaylorTheory 28
2.3.3 RelaxedConstraintsTaylorTheory 29
2.3.4 GrainInteractionModels 30
2.4 PlasticAnisotropyofPolycrystallineMaterials 33
2.5 ExperimentalValidation 34
j
VI Contents
2.5.1 PredictionofRollingTextures 34
2.5.2 PredictionofCupDrawingTextures 36
2.6 Conclusions 37
References 38
3 CrystalPlasticityModeling 41
FranzRoters,MartinDiehl,PhilipEisenlohr,andDierkRaabe
3.1 Introduction 41
3.2 Fundamentals 45
3.2.1 ConstitutiveModels 46
3.2.1.1 DislocationSlip 47
3.2.1.2 DisplaciveTransformations 47
3.2.2 Homogenization 48
3.2.3 BoundaryValueSolvers 49
3.3 ApplicationExamples 49
3.3.1 TextureandAnisotropy 49
3.3.1.1 PredictionofTextureEvolution 49
3.3.1.2 PredictionofEaringBehavior 50
3.3.1.3 OptimizationofEaringBehavior 51
3.3.2 EffectiveMaterialProperties 55
3.3.2.1 DirectTransferofMicrostructures 55
3.3.2.2 RepresentativeVolumeElements 57
3.3.2.3 TheVirtualLaboratory 59
3.4 ConclusionsandOutlook 61
References 62
4 ModelingofSeverePlasticDeformation:Time-ProvenRecipes
andNewResults 69
YuriEstrinandAlexeiVinogradov
4.1 Introduction 69
4.2 One-InternalVariableModels 70
4.3 Two-InternalVariableModels 77
4.4 Three-InternalVariableModels 81
4.5 NumericalSimulationsofSPDProcesses 82
4.6 ConcludingRemarks 86
References 87
5 PlasticAnisotropyinMagnesiumAlloys–Phenomena
andModeling 91
BevisHutchinsonandMatthewBarnett
5.1 DeformationModesandTextures 91
5.2 AnisotropyofStressandStrain 92
5.3 ModelingAnisotropicStressandStrain 103
5.4 ConcludingRemarks 114
References 115
j
Contents VII
6 ApplicationofStochasticGeometrytoNucleationandGrowth
Transformations 119
PauloR.RiosandElenaVilla
6.1 Introduction 119
6.2 MathematicalBackgroundandBasicNotation 121
6.2.1 ModelingBirth-and-GrowthProcesses 121
6.2.2 MeanDensitiesAssociatedtoaBirth-and-Growth
Process 123
6.2.3 CausalCone 124
6.3 RevisitingJMAK 126
6.4 NucleationinClusters 130
6.4.1 TheMat(cid:2)ernClusterProcess 130
6.4.2 EvaluationoftheIntegralinEq.(6.17) 131
6.4.3 NumericalExamples 133
6.4.3.1 InfluenceofClusterRadius 133
6.4.3.2 InfluenceofNumberofNucleiperCluster 135
6.5 NucleationonLowerDimensionalSurfaces 136
6.5.1 DerivationofGeneralExpressionsforSurfaceandBulk
Nucleation 136
6.5.1.1 SurfaceNucleation 136
6.5.1.2 BulkNucleation 137
6.5.2 NumericalExamples 138
6.5.2.1 SurfaceNucleation 138
6.5.2.2 BulkNucleation 138
6.5.2.3 SimultaneousBulkandSurfaceNucleation 140
6.6 AnalyticalExpressionsforTransformationsNucleatedonRandom
Planes 141
6.6.1 GeneralResultsforNucleationonRandomPlanes 141
6.6.2 BehaviorattheOriginasaModelfortheBehaviorinan“Unbounded”
Specimen 142
6.6.3 NucleationonRandomParallelPlanesLocatedWithinaSpecimenof
FiniteThickness 143
6.6.4 NucleationonRandomParallelPlanesLocatedWithinan“Unbounded
Specimens” 143
6.6.5 ComputerSimulationResults 145
6.7 RandomVelocity 145
6.7.1 Time-Dependent,RandomVelocity 145
6.7.2 ParticularCases 147
6.7.3 ComputerSimulation 148
6.8 SimultaneousandSequentialTransformations 150
6.8.1 SimultaneousTransformations 151
6.8.2 SequentialTransformations 152
6.8.3 ApplicationtoRecrystallizationofanIFSteel 153
6.9 FinalRemarks 157
References 157
j
VIII Contents
7 ImplementationofAnisotropicGrainBoundaryProperties
inMesoscopicSimulations 161
AnthonyD.Rollett
7.1 Introduction 161
7.2 OverviewofSimulationMethods 161
7.3 AnisotropyofGrainBoundaries 162
7.3.1 Energy 162
7.3.2 Mobility 163
7.4 SimulationApproaches 164
7.4.1 PottsModel 164
7.4.2 CellularAutomata 169
7.4.3 PhaseField 170
7.4.4 CuspsinGrainBoundaryEnergy 174
7.4.5 LevelSet 174
7.4.6 Vertex 175
7.4.7 MovingFiniteElement 176
7.4.8 ParticlePinningofBoundaries 179
7.5 Summary 180
References 180
PartII InterfacialPhenomenaandtheirRoleinMicrostructureControl 187
8 GrainBoundaryJunctions:TheirEffectonInterfacialPhenomena 189
LasarS.ShvindlermanandGu€nterGottstein
8.1 Introduction 189
8.2 ExperimentalMeasurementofGrainBoundaryTripleLineEnergy 190
8.3 ImpactofTripleLineTensionontheThermodynamicsandKineticsin
Solids 192
8.3.1 GrainBoundaryTripleLineContributiontotheDrivingForceforGrain
Growth 192
8.3.2 EffectoftheTripleJunctionLineTensionontheZenerForce 193
8.3.3 EffectofTripleJunctionLineTensionontheGibbs–Thompson
Relation 195
8.4 WhydoCrystallineNanoparticlesAgglomeratewithLow
Misorientations? 196
8.5 ConcludingRemarks 198
References 199
9 PlasticDeformationbyGrainBoundaryMotion:Experiments
andSimulations 201
DmitriA.MolodovandYuriMishin
9.1 Introduction 201
9.2 WhatistheCoupledGrainBoundaryMotion? 202
9.3 ComputerSimulationMethodology 204
j
Contents IX
9.4 ExperimentalMethodology 206
9.5 MultiplicityofCouplingFactors 208
9.6 DynamicsofCoupledGBMotion 212
9.7 CoupledMotionofAsymmetricalGrainBoundaries 216
9.8 CoupledGrainBoundaryMotionandGrainRotation 221
9.9 ConcludingRemarks 227
References 229
10 GrainBoundaryMigrationInducedbyaMagneticField:Fundamentals
andImplicationsforMicrostructureEvolution 235
DmitriA.Molodov
10.1 Introduction 235
10.2 DrivingForcesforGrainBoundaryMigration 236
10.3 MagneticallyDrivenGrainBoundaryMotioninBicrystals 237
10.3.1 SpecimensandAppliedMethodstoMeasureGrainBoundary
Migration 237
10.3.2 MeasurementsofAbsoluteGrainBoundaryMobility 239
10.3.3 MisorientationDependenceofGrainBoundaryMobility 243
10.3.4 EffectofBoundaryPlaneInclinationonTiltBoundary
Mobility 245
10.4 SelectiveGrainGrowthinLocallyDeformedZnSingle
CrystalsunderaMagneticDrivingForce 246
10.5 ImpactofaMagneticDrivingForceonTextureandGrainStructure
DevelopmentinMagneticallyAnisotropicPolycrystals 248
10.5.1 TextureEvolutionduringGrainGrowth 248
10.5.2 MicrostructureEvolutionandGrowthKinetics 253
10.6 MagneticFieldInfluenceonTextureandMicrostructureEvolutionin
PolycrystalsDuetoEnhancedGrainBoundaryMotion 258
10.7 ConcludingRemarks 261
References 262
11 InterfaceSegregationinAdvancedSteelsStudiedatthe
AtomicScale 267
DierkRaabe,DirkPonge,ReinerKirchheim,HamidAssadi,YujiaoLi,
ShojiGoto,AleksanderKostka,MichaelHerbig,StefanieSandl€obes,
MargaritaKuzmina,JulioMill(cid:2)an,LeiYuan,andPyuck-PaChoi
11.1 MotivationforAnalyzingGrainandPhaseBoundaries
inHigh-StrengthSteels 267
11.2 TheoryofEquilibriumGrainBoundarySegregation 271
11.2.1 GibbsAdsorptionIsothermAppliedtoGrainBoundaries 271
11.2.2 Langmuir–McLeanIsothermEquationsforGrainBoundary
Segregation 272
11.2.3 Phase-FieldModelingofGrainBoundarySegregationandPhase
TransformationatGrainBoundaries 274
11.2.4 InterfaceComplexionsatGrainBoundaries 278
j
X Contents
11.3 AtomProbeTomographyandCorrelatedElectronMicroscopyon
InterfacesinSteels 280
11.4 Atomic-ScaleExperimentalObservationofGrainBoundarySegregation
intheFerritePhaseofPearliticSteel 282
11.5 PhaseTransformationandNucleationonChemicallyDecorated
GrainBoundaries 288
11.5.1 IntroductiontoPhaseTransformationatGrainBoundaries 288
11.5.2 GrainBoundarySegregationandAssociatedLocalPhase
TransformationinMartensiticFe-CSteels 290
11.6 ConclusionsandOutlook 295
References 295
12 InterfaceStructure-DependentGrainGrowthBehavior
inPolycrystals 299
Suk-JoongL.Kang,Yang-IlJung,Sang-HyunJung,andJohnG.Fisher
12.1 Introduction 299
12.2 Fundamentals:EquilibriumShapeoftheInterface 300
12.2.1 EquilibriumCrystalShape 300
12.2.2 EquilibriumBoundaryShape 301
12.3 GrainGrowthinSolid–LiquidTwo-PhaseSystems 302
12.3.1 GrowthMechanismsandKineticsofaSingleCrystalin
aLiquid 302
12.3.1.1 Diffusion-ControlledCrystalGrowth 302
12.3.1.2 InterfaceReaction-ControlledCrystalGrowth 303
12.3.1.3 MixedControlledGrowthofaFacetedCrystal 306
12.3.2 GrainGrowthBehavior 307
12.3.2.1 StationaryGrainGrowthinSystemswithSphericalGrains 308
12.3.2.2 NonstationaryGrainGrowthinSystemswithFaceted
Grains 309
12.4 GrainGrowthinSolid-StateSingle-PhaseSystems 312
12.4.1 MigrationMechanismsandKineticsoftheGrainBoundary 312
12.4.2 GrainGrowthBehavior 315
12.5 ConcludingRemarks 317
References 318
13 Capillary-MediatedInterfaceEnergyFields:DeterministicDendritic
Branching 323
MartinE.Glicksman
13.1 Introduction 323
13.2 CapillaryEnergyFields 324
13.2.1 Background 324
13.2.2 MeltingExperiments 325
13.2.3 Self-SimilarMelting 326
13.2.4 InfluenceofCapillarityonMelting 327
13.3 Capillarity-MediatedBranching 329