Molecular Dynamics Simulation of Nanostructured Materials: An Understanding of Mechanical Behavior

Structural Description of MaterialsAtomic Arrangements in MaterialsPeriodicity in Crystals and Symmetry ElementsCrystal Lattices and StructuresCrystal Directions and PlanesCrystallographic AnglesStereographic ProjectionsStereographic Projection for the Faces of an Isometric CrystalStereonet or Wulff NetMeasurement of Angle Between Planes and PolesLocating a Plane Corresponding to a PoleStandard Projection of a Cubic CrystalLocating the Poles of High-Indices PlanesRepresentation of SymmetryMetallic GlassStructural Analysis of Metallic GlassMechanical Properties of Metallic GlassStrain-Rate Sensitivity of Metallic GlassNetwork Structures in Metallic GlassPolymeric StructuresCrystallinity in PolymersDefects in SolidsTypes of ImperfectionPoint Defects or 0 Dimensional DefectsVacancy DefectImpurity DefectFrenkel DefectSchottky DefectMore About Point DefectsDefects in Ionic SolidsLine Defects or One-Dimensional DefectsBurgers VectorEdge DislocationScrew DislocationMixed DislocationsDislocation MotionGlideCross-slipClimbForces Between DislocationsStrain EnergySlip and ClimbPlanar DefectsGrain BoundariesTwin BoundariesExtended Dislocations and Stacking FaultsVolume DefectsPrecipitatesSecond-Phase Particles or DispersantsVoidsInclusionsDefects in Crystalline PolymersD Defects in PolymersD Defects in PolymersDefects in GlassesReal GlassesThermally Induced GlassesPractical Use of Defects in GlassesDefects and DeformationFiber-Reinforced Composite MaterialsTypes of Fiber-Reinforced CompositesCarbon (Graphite) Fiber-Reinforced CompositesFiberglass-Reinforced CompositesOther Fiber-Reinforced CompositesFiber ArchitectureGeometryOrientationPacking ArrangementVolume FractionDefects in Fiber-Reinforced CompositesManufacturing DefectsIn-Service DefectsReferencesMechanical Behavior of MaterialsElastic DeformationPlastic DeformationSlip and TwinningSlipTwinningResolved Shear StressSlip and Crystal StructureLaw of Critical Resolved Shear StressMultiple SlipWork Hardening and SlipTheory of Dislocation and Plastic DeformationDislocation MobilityVariation of Yield Stress with Temperature and Strain RatePotential Dislocation SourcesFrank Read SourceDiscontinuous YieldingYield Points and Crystal StructureDiscontinuous Yielding in Ordered AlloysSolute-Dislocation InteractionDislocation Locking and TemperatureInhomogeneity InteractionKinetics of Strain AgeingInfluence of Grain Boundaries on Plasticity and SuperplasticityMechanical TwinningCrystallography of TwinningNucleation and Growth in TwinsEffect of Impurities on TwinningEffect of Pre-strain on TwinningDislocation Mechanism of TwinningTwinning and FractureStrengthening and Hardening MechanismsPoint Defect HardeningWork HardeningThree-Stage HardeningWork Hardening in PolycrystalsDispersion-Hardened AlloysWork Hardening in Ordered AlloysDevelopment of Preferred OrientationCrystallographic AspectsTexture HardeningMacroscopic PlasticityTresca and von Mises CriteriaEffective Stress and StrainRecrystallize AnnealingGeneral Effects of AnnealingRecoveryRecrystallizationGrain GrowthAnnealing TwinsRecrystallization TexturesGrain Boundary EngineeringGrain Misorientation and Grain-Boundary Rotation-Dependent Mechanical PropertiesReferencesCreep and Fatigue Behavior of MaterialsMetallic Creep and ViscoelasticityTensile Creep Curve: Transient and Steady-State CreepGrain Boundary Influences on CreepTertiary Creep and FractureCreep Resistant Alloy Design and a Few Case StudiesDeformation Mechanism MapsMetallic FatigueNature of Fatigue FailureEngineering Aspects of FatigueStructural Changes during FatigueCrack Formation and Fatigue FailureFatigue at Elevated Temperature and a Few Case StudiesFracture and ToughnessGriffith Microcrack CriteriaFracture ToughnessCleavage and Ductile-Brittle TransitionFactors Affecting Brittleness of SteelsChemical CompositionGrain SizeGrain OrientationWork HardeningIrradiation HardeningMicrostructureCrack Propagation and Healing Mechanism for Metallic SystemStrengthening and Toughening Mechanism of Metallic SystemStrengthening from Grain BoundarySolid Solution StrengtheningStrengthening due to Fine ParticlesStrengthening due to Point DefectsStrain HardeningStrengthening and Toughening Mechanism of Polymeric Composite SystemDeformed FibersCrack PinningShear YieldingRubber TearCrack Path DeflectionMultiple CrazingCavitation-Shear YieldingPhysics of Fiber-Reinforced Composite Materials DeformationReferencesMechanical Behavior of Nanostructured MaterialsLength-Scale-Dependent Mechanical BehaviorCategories of Nanostructured MaterialsZero-Dimensional Nanostructured MaterialOne-Dimensional Nanostructured MaterialTwo-Dimensional Nanostructured MaterialThree-Dimensional Nanostructured MaterialNon-equilibrium Nanostructured MaterialsClassification of Nanostructured Materials Based on MicrostructureMechanical Properties of Nanometallic GlassMechanism of Nanometallic Glass DeformationEffect of Size on Deformation Behavior of Nanometallic GlassEffect of Irradiation on Deformation Behavior of Nanometallic GlassMechanical Properties of Nanogranular Metallic GlassesInterfacial and Mechanical Properties of Epoxy NanocompositesEffect of Nanoparticles on Mechanical Properties of Epoxy NanocompositesTensile Strength of Epoxy NanocompositeFlexural Strength of Epoxy NanocompositeMechanical Properties of Epoxy/Graphene NanocompositeToughening of Epoxy Nanocomposites: Nano and Hybrid EffectsToughening Mechanism Associated with Binary NanocompositesToughening Mechanism Associated with Ternary Nanocomposites with Silica Rubber HybridsReferencesBasics of Molecular Dynamics SimulationIntroductionMolecular InteractionsBonded InteractionsNon-bonded InteractionsInteratomic PotentialsLennard-Jones PotentialMorse PotentialEmbedded-Atom MethodModified Embedded-Atom MethodCharge-Optimized Many-Body PotentialsThe Molecular Dynamics (MD) AlgorithmsVerlet AlgorithmLeap-Frog AlgorithmVelocity Verlet AlgorithmBeeman AlgorithmTime DependenceDifferent EnsemblesMicrocanonical (NVE) EnsembleCanonical (NVT) EnsembleIsothermal-Isobaric (NPT) EnsembleIsoenthalpic-Isobaric (NPH) EnsembleStructural CharacterizationBond-Ancle AnalysisCentrosymmetry ParameterCommon Neighbor AnalysisAdaptive Common Neighbor AnalysisCoordination AnalysisDislocation Extraction AlgorithmVoronoi AnalysisFull IcosahedraFrank-Kasper PolyhedronWigner-Seitz Defect AnalysisPolyhedral Template MatchingReferencesStress-Strain Behavior Investigation by Molecular Dynamic (MD) SimulationIntroductionTest ParametersEffect of Strain RateEffect of TemperatureEffect of SizeEffect of Grain Size of Polycrystalline MetalsTest ProcedureEffect of Different EnsemblesStress-Strain PlotMetallic SystemMetallic Glass SystemNanocompositesStructural EvolutionDislocation Evolution and InteractionGrain Boundary SlidingStructural Evolution in the Shear BandEffect of Vacancy on Deformation BehaviorEffect of Stacking Fault on Deformation BehaviorSummaryReferencesFracture Simulations Using Molecular Dynamics (MD)IntroductionTest ParametersStrain Rate EffectStress State EffectTemperature EffectTest ProcedureCase StudyTraction and Separation MethodCohesive Zone ModelingCrack Opening Displacement and Local Stresses Using Molecular DynamicsApplication of MD-Based Study of Fracture AnalysisRole of Crack Tip Dislocations on the Crack Propagation Behavior of MetalsCrack Growth Prediction Using Cohesive Zone Model (CZM)Application of Crack Tip Opening Displacement in Predicting Fracture BehaviorCrack HealFracture Behavior AnalysisSummaryReferencesCreep Behavior Investigation by Molecular Dynamics (MD) SimulationIntroductionTest ParametersEffect of Applied StressEffect of TemperatureTest ProcedureCreep Curve PlotMetallic SystemsAmorphous SystemsNanocomposite SystemsStructural EvolutionHigh-Temperature Deformation MechanismDiffusion-Mediated CreepGrain Boundary SlidingDislocation-Mediated CreepStructural Changes during Creep Deformation in Metallic SystemStructural Changes during Creep Deformation in Amorphous SystemStructural Changes during Creep Deformation in Nanocomposite SystemStructural Changes during Creep Deformation in Nanojoint SystemSummaryReferencesFatigue Behavior Investigation by Molecular Dynamics (MD) SimulationIntroductionCyclic Loading PatternTest ParametersEffect of Stress RatioEffect of Stress AmplitudeSize EffectEffect of Strain AmplitudeEffect of TemperatureEffect of Number of CyclesTest ProcedureCase Study: Fatigue Behavior of Cu Film through Nanoimpact Under Cyclic Loading by MD SimulationStructural EvolutionStructural Evolution of Pre-existing Crack in Single-Crystal IronGrain Boundary Effect on the Crack Growth of BCC IronCrack Growth RateCrack Length in Various Crack Orientations and Grain BoundariesCrack Growth Subjected to Stress Intensity FactorEffect of Temperature during Cyclic LoadingImpact of Cyclic Loading PatternFatigue Crack Propagation of Single-Crystal Nickel during Constant-Strain Amplitude Cyclic LoadingFatigue Crack Propagation of Single-Crystal Nickel during Increasing-Strain Amplitude Cyclic LoadingFatigue Crack Growth Process of Nanocrystalline Copper during Cyclic LoadingReferences
Next >