Preface
1Spheres,ClustersandPackingofSpheres
1.1Introduction
1.2GeometryofSpheres
1.2.1ASphereandItsNeighbours
1.2.2NeighboursbyTouching
1.2.3HardandSoftSpheres
1.3GeometryofClusters
1.3.1RegularClusters
1.3.2IrregularClusters
1.3.3Coordinationof(1+k)Clusters
1.3.3.1BlockingModelforClusterFormation
1.3.3.2FurthModelforClusterFormation
1.3.4Configurationof(1+k)Clusters
1.3.4.1RegularClusters
1.3.4.2IrregularClusters
1.3.4.3ClosingVectorBasedonRadialVectorPolygon
1.3.4.4PhysicalMeaningoftheClosingVector,
1.3.4.5SphericalHarmonics
1.4GeometryofSpherePackings
1.4.1FixedandLoosePackings
1.4.2OrderedPacking
1.4.3DisorderedPacking
1.4.4RandomPacking
1.4.5RandomSequentialAdditionofHardSpheres
1.4.6RandomClosedPackingofSpheres
1.4.7NeighboursbyVoronoiTessellation
1.4.8NeighboursbyCoordinationShell
1.4.8.1PairDistributionFunction
1.4.8.2TheProbabilityofContacts
1.4.8.3ContactConfigurationFunction
1.9.4ShortandMediumRangeOrder
References
BooksonCrystallography
BooksonGlasses
BooksonRandomWalks
BooksonSpherePackings
BooksonCrystalImperfections
2CharacteristicsofSpherePackings
2.1GeometricalProperties
2.1.1TheCoordinationDistributionFunction,~P(k)
2.1.2Tetrahedricity
2.1.3VoronoiPolyhedraNotation
2.1.4TopologyofClusters
2.1.4.1OrderedClusters
2.1.4.2IrregularClusters
2.1.5TheConfigurationDistributionFunction,Φk(ζ)
2.1.6TheVolumeFraction
2.1.6.1RegularPolyhedra
2.1.6.2IrregularPolyhedra
2.1.7ThePackingFraction
2.1.7.1TheAveragePackingFractionfortheRoundCell
2.1.7.2TheLocalPackingFraction
2.1.7.3TheLimitsofPackingFraction
2.1.8RepresentativeVolumeElement
2.1.9DensityofSinglePhase
2.1.9.1DensityofCrystallineSolid
2.1.9.2DensityofAmorphousSolid
2.1.10DensityofaComposite
2.1.11SolidityofPacking
2.2X-rayScattering
2.2.1Introduction
2.2.2GeometryofDiffractionandScattering
2.2.3IntensityofaScatteredWave
2.2.3.1AmorphousSolid
2.2.3.2EhrenfestFormula
2.2.3.3PolyatomicSolid
2.2.4FactorsAffectingIntegratedScatteredIntensity
2.2.4.1IntegratedIntensityofPowderPatternLinesfromCrystallineBody
2.2.4.2IntegratedScatteredIntensityfromMonoatomicBody
2.3GlassTransitionMeasuredbyCalorimetry
References
3GlassyMaterialsandIdealAmorphousSolids
3.1Introduction
3.1.1Solidification
3.1.1.1SolidificationbyMeansofCrystallization
3.1.1.2SolidificationthroughVitrification
3.1.2CognateGroupsofAmorphousMaterials(Glasses)
3.1.2.1MetallicGlasses
3.1.2.2InorganicGlasses
3.1.2.3OrganicGlasses
3.1.2.4AmorphousThinFilms
3.2SummaryofModelsofAmorphousSolids
3.2.1LatticewithAtomicDisorder
3.2.2DisorderedClustersonLattice
3.2.3GeometricModelsforAmorphousNetworks
3.2.4PackingofRegularbutIncongruentClusters
3.2.5IrregularClusters-RandomPacking
3.2.6MolecularDynamics
3.2.7MonteCarloMethod
3.3IASModelofa-Argon
3.3.1IASParameters
3.3.2RoundCellSimulationandAnalysis
3.3.2.1CoordinationDistributionFunction
3.3.2.2VoronoiVolumeandConfigurationDistributionFunctions
3.3.2.3RadialDistributionFunction
3.3.2.4X-rayScatteringfromtheIASModel
3.3.2.5CrystallineandAmorphousCluster
3.3.3Summaryofa-ArIASStructure
3.4IASModelofa-NiNbAlloy
3.4.1Introduction
3.4.2IASModelofa-NiNbAlloy
3.4.2.1CoordinationDistributionFunctions
3.4.2.2VoronoiVolumeDistribution
3.4.2.3PairDistributionFunction
3.4.2.4ProbabilityofContacts
3.4.3X-rayScatteringfroma-NiNbAlloy
3.4.3.1ExperimentalResults
3.4.3.2TheoreticalResults
3.4.4Densityofa-Ni62-Nb38Alloy
3.4.4.1CrystallineAlloy
3.4.4.2AmorphousAlloy
3.4.5Summaryofa-NiNbIASStructure
3.5IASModelofa-MgCuGdAlloy
3.5.1PhysicalPropertiesoftheElements
3.5.2IASSimulationofa-MgCuGdAlloy
3.5.2.1CoordinationDistributionFunctions
3.5.2.2ConfigurationDistributionFunction
3.5.2.3RadialDistributionFunction
3.5.2.4ProbabilityofContacts
3.5.2.5ClusterCompositionAccordingtoIAS
3.5.2.6ClusterCompositionAccordingtoMD
3.5.3X-rayScatteringfroma-Mg65-Cu25-Gd10Alloy
3.5.3.1FiatPlateX-rayScatteringPattern
3.5.3.2CalibrationbasedonSiPowderPattern
3.5.3.3UncertaintiesandCorrections
3.5.4DensityofMg65-Cu25-Gd10Alloy
3.5.4.1CrystallineAlloy
3.5.4.2AmorphousAlloy
3.5.5Summaryofa-MgCuGd1ASStructure
3.6IASModelofa-ZrTiCuNiBeAlloy
3.6.1TransmissionElectronMicroscopy
3.6.2IASSimulationofAmorphousa-ZrTiCuNiBeAlloy
3.6.2.1CoordinationDistributionFunction
3.6.2.2VoronoiVolumeDistribution
3.6.2.3RadialDistributionFunction
3.6.3AtomicProbeofthea-ZrTiCuNiBeAlloy
3.6.3.1ProbabilityofContacts
3.6.4SelectedClustersfromthea-ZrTiCuNiBeAlloy
3.6.5X-rayScatteringfromthea-ZrTiCuNiBeAlloy
3.6.6DensityofZrTiCuNiBeAlloy
3.6.6.1CrystallineAlloy
3.6.6.2AmorphousAlloy
3.6.6.3VitreloyAlloys
3.6.7Summaryofa-ZrTiCuNiBeIASStructure
3.7IASModelofa-Polyethylene(a-PE)
3.7.1RadialDistributionFunction
3.7.2X-rayScattering
3.7.2.1Short-RangeOrder
3.7.3Summaryofa-PEIASStructure
3.8IASModelofa-Silica(a-SiO2)
3.8.1MolecularParametersforSiO2
3.8.2IASandUnitedAtomModelsforSiO2
3.8.3Summaryofa-SiO2IASStructure
3.9ChalcogenideGlasses
3.9.1As12-Ge33-Se55ChalcogenideGlass
3.9.2MeasuredCoordinationDistribution
3.9.3MeasuredX-rayScattering
3.9.4Glass-TransitionTemperatureofAsGeSeGlasses
3.9.5ModelsofAtomicArrangementsinAsGeSeGlass
3.9.5.1IASModelofAsGeSeGlass
3.9.5.2OtherModelsofAsGeSeGlass
3.9.6Summaryofa-AsGeSeIASStructure
3.10ConcludingRemarks
3.10.1Chapter3
3.10.2Chapter2
References
4MechanicalBehaviour
4.1Introduction
4.2Elasticity
4.2.1Phenomenology
4.2.2ContinuumMechanics
4.2.2.1CalculationofAverageElasticConstants-AggregateTheory
4.2.2.2Green'sElasticStrainEnergy
4.2.3AtomisticElasticity
4.2.3.1CalculationofanElasticConstantforSingleCrystalofArgon
4.3ElasticPropertiesofAmorphousSolids
4.3.1ElasticModulusofAmorphousArgon
4.4Fracture
4.4.1Phenomenology
4.4.2ContinuumMechanics
4.4.2.1DefinitionofFractureMechanics:FractureToughness
4.4.2.2ElasticStrainEnergyRelease
4.4.2.3SolidSurfaceEnergy
4.4.2.4Griffith'sFractureStress
4.4.2.5TheRoleofDefects
4.4.3AtomisticFractureMechanicsofSolids
4.4.3.1TheoreticalCleavageStrength
4.4.3.2TheoreticalShearStrength
4.5Plasticity
4.5.1Phenomenology
4.5.2ContinummMechanics
4.5.2.1TrescaYieldCriterion
4.5.2.2Huber-vonMisesCriterion
4.5.3AtomisticMechanicsofCrystallineSolids
4.5.3.1StrainHardening
4.5.3.2GrainBoundaryStrengthening
4.5.3.3SolidSolutionHardening
4.5.3.4PrecipitationHardening
4.5.3.5MechanismsofPlasticFlowinCrystallineMaterials
4.5.3.6DisplacementofAtomsAroundDislocations
4.5.3.7CriticalShearStresstoMoveDislocation
4.6PlasticityinPlasticity:AmorphousSolids
4.6.1PlasticDeformationbyShearBandPropagation
4.7Superplasticity
4.7.1Phenomenology
4.7.2ContinuumMechanics
4.7.3SuperplasticityinBulkMetallicGlasses
4.7.3.1CalculationofStrainRateforSuperplasticity
4.7.4ConcordantDeformationMechanism
4.7.4.1DensityVariationinAmorphousSolids
4.7.4.2The'Inclusion'Problem
4.7.4.3TheSystemwithoutTransformation
4.7.4.4TheSystemwithTransformation
4.7.4.5Conclusions
4.8Viscoelasticity
4.8.1Phenomenology
4.8.2Time-andTemperature-DependentBehaviour
4.8.2.1DefinitionsofViscosity
4.8.2.2OrderofMagnitudeCalculations
4.8.3TemperatureEffectonViscoelasticBehaviour
4.8.3.1ArrheniusBehaviour
4.8.3.2Vogel-Fulcher-TammannBehaviour
References
Index
ColorPlots