Ceramics Science and Technology. Volume 1. Structures

602 Pages·2016·5.48 MB·English

by  Riedel R. Chen I-W. (Ed.)

Ceramics Science
and Technology
Edited by
Ralf Riedel and I-Wei Chen
Further Reading
W.Krenkel (Ed.)
Ceramic Matrix Composites
FiberReinforcedCeramicsandtheirApplications
2008
ISBN:978-3-527-31361-3
M. Scheffler, P.Colombo (Eds.)
Cellular Ceramics
Structure,Manufacturing,PropertiesandApplications
2005
ISBN:978-3-527-31320-4
Ceramics Science and Technology
Volume 1: Structures
Edited by
Ralf Riedel and I-Wei Chen
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ISBN:978-3-527-31155-2
V
Contents
Preface XIII
Dedication XV
List of Contributors XIX
I Introduction 1
1 ModernTrendsinAdvancedCeramics 3
RalfRiedel,EmanuelIonescu,andI.-WeiChen
1.1 AdvancedCeramics 3
1.2 ConventionalSynthesisandProcessingofAdvancedCeramics 3
1.2.1 SynthesisofCeramicPowders 3
1.2.2 Forming 6
1.2.3 Sintering 7
1.2.4 Finishing 10
1.3 MolecularRoutesfortheSynthesisandProcessing
ofAdvancedCeramics 11
1.3.1 TheCVDProcess 13
1.3.2 TheSol–GelProcess 15
1.3.3 Polymer-DerivedCeramics(PDCs) 18
1.4 MethodsforCharacterizationofAdvancedCeramicMaterials 21
1.5 ApplicationsofAdvancedCeramics 27
1.6 Outlook 33
References 34
II StructureofCeramicMaterials:AtomicLevel 39
2 ModelingAmorphousCeramicStructures 41
PeterKroll
2.1 Introduction 41
2.2 ComputationalApproach 43
CeramicsScienceandTechnology.Vol.1:Structures.RalfRiedelandI-WeiChen(Eds.)
Copyright(cid:1)2008WILEY-VCHVerlagGmbH&Co.KGaA,Weinheim
ISBN:978-3-527-31155-2
VI Contents
2.2.1 BondSwitching 43
2.2.1.1 TheWWW-Method 43
2.2.1.2 GenerationofAlternatingNetworkStructures 45
2.2.1.3 Non-TetrahedralConnectivityandRepresentationwithGraphs 46
2.2.2 NetworkAlgorithm 46
2.2.2.1 InteratomicPotentialforGeometricalRelaxations 46
2.2.2.2 SimulatedAnnealingforTopologicalRelaxations 49
2.2.2.3 TricksoftheTrade 49
2.2.3 DensityFunctionalCalculations 51
2.3 Results 52
2.3.1 a-SiO 52
2
2.3.2 a-Si N 56
3 4
2.3.3 a-SiNO 59
2.3.4 a-SiCO 60
2.3.5 a-SiCN 61
2.4 SummaryandConclusions 67
References 68
3 StructuralChemistryofCeramics 71
RainerPöttgen,HubertHuppertz,andRolf-DieterHoffmann
3.1 Introduction 71
3.2 CrystalChemistryofBinaryOxides 73
3.2.1 TheStructuresofBeOandMgO 73
3.2.2 B OandtheModificationsofAl O 74
6 2 3
3.2.3 Rutile,Anatase,andBrookite 75
3.2.4 CeO ,ThO ,UO ,andtheModificationsofZrO andHfO 78
2 2 2 2 2
3.3 ComplexOxideStructures 80
3.3.1 OxideswithPerovskite-RelatedStructures 80
3.3.2 TheSpinelStructure 82
3.3.3 Garnets 83
3.3.4 TheOxidesAl TiO andBaFe O 83
2 5 12 19
3.3.5 StructuralPrinciplesofSilicates 86
3.3.5.1 Zeolites 89
3.3.6 StructuralPrinciplesofBorates 89
3.4 NitridesandRelatedMaterials 92
3.4.1 AlNandtheModificationsofBoronNitride 92
3.4.2 TheModificationsofSi N 93
3 4
3.4.3 StructuralPrinciplesofNitridosilicates 95
3.4.4 Sinoite 97
References 98
4 DiffusioninCeramics 105
GünterBorchardt,KarstenGömann,MartinKilo,andHaraldSchmidt
4.1 GeneralIntroduction 105
4.2 SimpleOxides 108
Contents VII
4.2.1 Introduction 108
4.2.2 AO Systems:FluoriteOxideZrO 109
2 2
4.2.2.1 OxygenDiffusion 109
4.2.2.2 CationDiffusion 112
4.2.3 A O Systems:Al O 119
2 3 2 3
4.2.3.1 OxygenDiffusion 120
4.2.3.2 CationDiffusion 122
4.2.4 AOSystems:ZnO 123
4.2.4.1 OxygenDiffusion 124
4.2.4.2 ZincDiffusion 124
4.3 DiffusioninComplexOxides 125
4.3.1 Introduction 125
4.3.2 CationVolumeDiffusion 126
4.3.2.1 Introduction 126
4.3.2.2 CationDiffusioninTitanatePerovskites 126
4.3.2.3 CationDiffusioninLnMO Perovskites 132
3
4.3.3 AnionVolumeDiffusion 136
4.3.3.1 Introduction 136
4.3.3.2 OxygenDiffusioninTitanatePerovskites 137
4.3.3.3 OxygenVacancyandTracerDiffusioninLnMO Perovskites 141
3
4.4 DiffusioninNon-OxideCeramics 149
4.4.1 Introduction 149
4.4.2 DiffusioninCarbides 150
4.4.2.1 SiliconCarbide 150
4.4.2.2 TransitionMetalCarbides 154
4.4.2.3 ActinideCarbides 155
4.4.3 DiffusioninNitrides 155
4.4.3.1 SiliconNitride 155
4.4.3.2 TransitionMetalNitrides 157
4.4.3.3 ActinideNitrides 160
4.4.3.4 SiliconCarbonitrides 160
4.4.4 HydrogenDiffusioninSi-BasedCeramics 163
4.4.5 DiffusioninBorides 165
References 167
5 StructuresofCeramicMaterials:Thermodynamics
andConstitution 183
MatsveiZinkevichandFritzAldinger
5.1 Introduction 183
5.2 ExperimentalPhaseStudies 184
5.2.1 DeterminationofPhaseDiagrams 184
5.2.2 DeterminationofThermochemicalData 185
5.3 MethodsofComputationalThermodynamics 187
5.3.1 StoichiometricPhases 188
5.3.2 SolutionPhases 189
VIII Contents
5.3.3 TheCompoundEnergyFormalism(CEF) 190
5.4 CaseStudies 191
5.4.1 ThermodynamicModelingoftheCerium–OxygenSystem 191
5.4.2 StudyofLa O –Ga O SystembyExperimentand
2 3 2 3
ThermodynamicCalculations 197
5.4.3 ModelingofSpinelPhases 202
5.4.4 PhaseEquilibriainCeramicThermalBarrierCoatings 207
5.4.5 PhaseModelinginSi N -andSiAlON-BasedCeramics 214
3 4
5.4.6 PhaseEquilibriaintheSi–B–C–NSystem 217
References 226
III StructuresofCeramicMaterials:MicrostructuralLevel 231
6 MicrostructuralDesignofCeramics:TheoryandExperiment 233
GayleS.PainterandPaulF.Becher
6.1 Overview 233
6.2 AnIntroductiontoCeramics 236
6.3 DeterminantsofCeramicMicrostructure 241
6.3.1 SummaryofMethodsThatControlMicrostructure 243
6.3.1.1 ApproachestoTailorCeramicMicrostructure 243
6.4 FactorsinMicrostructuralDesign 244
6.4.1 GrainSize 245
6.4.2 GrainReinforcement 245
6.4.3 FreeSurfacePhenomena 246
6.5 AmorphousPhasesinCeramics 246
6.5.1 Interfaces:IntergranularFilmsandGlassy
Pockets 247
6.6 SiliconNitrideCeramics:AModelSystem 250
6.6.1 ChemistryofIntergranularFilmsandGlasses 250
6.6.2 AdsorptionBehaviorofRareEarthAdditions 254
6.7 TheoryandModelingofCeramics 258
6.7.1 Background 259
6.7.2 ContinuumModeling 260
6.7.3 FiniteElementModeling 261
6.7.4 PhaseFieldMethod 262
6.7.5 MolecularDynamics 265
6.7.6 MonteCarloMethodology 268
6.7.7 First-PrinciplesDensityFunctionalMethods 268
6.7.8 MultiscaleMethodologies 271
6.7.9 CommentsonMethodology 277
6.8 ACaseStudyinTheoryandModeling:IntergranularFilms
inSiliconNitride 278
6.9 Outlook 282
References 285
Contents IX
7 MesoscopicCeramicStructuresinOne,Two,
andThreeDimensions 297
JörgJ.SchneiderandJörgEngstler
7.1 CeramicsattheMesoscale 297
7.1.1 TheScopeoftheChapter 297
7.1.2 Introduction 297
7.2 SyntheticRoutestoMesoscaledCeramicStructures 299
7.2.1 ElectrochemicalApproaches 299
7.2.2 Electrospinning 300
7.2.3 ElectrophoreticDeposition 301
7.2.4 Sol-GelTechniques 302
7.2.5 FluidicTemplatingTechniques 303
7.2.6 Gas-PhaseTechniques 306
7.3 One-Dimensional(1-D)CeramicStructures 308
7.3.1 CeramicStructuresviaElectrochemicalApproaches 308
7.3.1.1 Tubes,Wires,andRods 308
7.3.2 CeramicStructuresfromCondensedPhase 310
7.3.2.1 Tubes,Wires,andRods 311
7.3.3 MiscellaneousOne-DimensionalCeramics 318
7.4 Two-Dimensional(2-D)CeramicStructures 328
7.4.1 PorousCeramicFilmsfromCondensedPhase(otherthanSiO ) 323
2
7.4.1.1 TemplatingTechniquesforNon-SileceousCeramics 323
7.4.1.2 TemplatingTechniquesusingMonodisperseSpheres 328
7.4.2 PorousCeramicFilmsviaElectrochemicalApproaches 329
7.5 Three-Dimensional(3-D)CeramicStructures 332
7.5.1 ElectrochemicalandCondensed-PhaseRoutesto3-DCeramics 333
References 338
8 BulkCeramicNanostructures 347
PavolS4ajgalík,JánDusza,ZoltánLenc4és4,MiroslavHnatko,
Dus4anGalusek,andKatarinaGhillányová
8.1 Introduction 347
8.2 MaterialsandRelatedNanocomposites 349
8.3 FormationofNanoinclusions 352
8.3.1 DevelopmentofNano/Microstructures 352
8.3.2 InterfaceChemistry 353
8.3.3 SiC/Al O Nano/microcomposites 355
2 3
8.3.3.1 Solid-StateSinteringofCrystallineAl O withSubmicrometer
2 3
CrystallineSiC 357
8.3.3.2 SinteringofCrystallineAl O withAdditionofSiO þC 357
2 3 2
8.3.3.3 Liquid-PhaseSinteringofCrystallineAl O withSubmicrometer
2 3
CrystallineSiC 358
8.3.3.4 SinteringofCrystallineAl O withAdditionofPolycarbosilanes 358
2 3
8.3.4 SiC/Si N Nano/Microcomposites 360
3 4
8.3.4.1 SinteringofAmorphousSiCNStartingPowder 360