Materials Modeling, Simulation, and Characterization

Atomic and Electronic Scale Simulation on Low Index Face Growth of Nano CVD Diamond FilmsThe Influence of DOS Effects on Ablation Properties in High Energy Femtosecond Laser Ablation Process3D Numerical Simulation of Flow and Temperature Field in Semi-Solid Slurry Preparation by A-EMSA Simple Model for Predicating Dielectric Constant of CaCu3Ti4O12-SrTiO3 Composite CeramicsAn Improved Geometric Model to Predict Hot Spots of CastingsAnalysis of Mechanical Properties of TiB2-TiC+Ni/TiAl/Ti Graded Materials Prepared by FAPASAnalytical Interatomic Potential for HCP-ScandiumAtomic Anti-Site Evolution during L12 Precipitation Using Microscopic Phase-Field SimulationAtomic Simulation for Lattice Structure of La/SrMnO3 SuperlatticeInfluence of Molecular Structure on the Optical Property of POSS: a DFT Calculation Based Quantum Chemistry CalculationChemical Bond and Property of TiC-TiB2 CompositeConductivity Mechanism of Asphalt Concrete with the PANI/PP Compound Conductive FiberDensity-Functional Investigation of Lun (n=2-14) ClustersDependence of Dendritic Growth on Convention with PFM SimulationEnergetics and Properties of Vacancies, Anti-Sites, and Atomic Defects (B, C, and N) in Ductile B2-YM (M=Ag, Cu, Rh) IntermetallicsFinite Element Modelling for Internal Bionic Architecture Optimization of Artificial Human BonesFirst-Principle Study of Electronic Structures of Y-Doped Mg2SiHigh Efficiency Algorithm for the Dipolar Interaction Energy of 2D Magnetic Nanoparticle SystemsInfluence of Molecular Structure of POSS on Gas-Molecule Diffusion Coefficients Using Molecular Dynamic SimulationInterface Movement and Microstructure Evolution of Interdiffusion in the Binary Alloy Diffusion CouplesInvestigation on Compression Behavior of SiC/Al Co-Continuous CompositesInvestigation on the Processing-Properties of Hot Deformed TA15 Titanium Alloy via Support Vector RegressionMultiscale Microstructure of Chafer CuticleMicroscopic Phase Field Study on the Site Preference of Al in Ni3V: Coordination Geometry EffectMicrostructure Evolution and Analysis of a Single Crystal Nickel-Based Superalloy during Tensile CreepMolecular Dynamics Simulation of Anisotropic Corrosion-Induced Stress in Fe Single CrystalMoleculer Dynamics Study of the Thermodynamic Shear Deformation in TiAl/Ti3Al SystemNumerical Simulation of 300mm CZ Silicon Crystal Growth with Axial Magnetic FieldsPhase-Field Simulation of d-Ni2Si Precipitation in Cu-Ni-Si AlloysShrinkage Porosity Simulation of Spheroidal Graphite Iron Castings Based on Macro-Micro ModelsSimulation of Melting Infiltration Process of Phase Change Material in Fiber Porous CeramicStructural and Mechanical Properties of RT2Zn20 and RFe2-xCoxZn20(R=Y, Sm; T=Fe, Ru, Os, Co, Rh and Ir)Study on the Process Optimization of Synthesizing Co3O4 Nanoparticles by Homogeneous Precipitation Based on Support Vector RegressionSurface Structure and Electronic Property of Sulfur Passivation of InAs(001) Surface: A First-Principles StudyThe Simulation of Stress-Induced Phase Transition of L10 Re-Precipitation Based on Microscopic Phase-Field ModelOccupation and Magnetic Property of Cr Additive in L10 FePt: First-Principle StudyThe Relationship between Grain Boundary Character Distribution and Intergranular Corrosion Resistance of 304 Austenitic Stainless SteelAEC: A New Tool for EET, TFDC and Crystal FormulaApplication of Secondary Electron Composition Contrast Imaging Method in Microstructure Studies on Cathode Materials of TWTCharacterization of Intergranular Corrosion in Heat-Affected Zone of Low Carbon 12Cr-Ni Ferritic Stainless SteelCooling Rate Control on Cold Cracking in Welded Thick HSLA Steel PlateCreep Behaviors of a Single Crystal Nickel-Based Superalloy Containing 4.2%ReDetection of Impact Damages in CFRP Composites Using Ultrasonic Burst Phase ThermographyMicrostructure and Mechanical Properties of ULCB Steels Affected by Advanced TMCP TechnologyEffect of Plate Thickness and Weld Position on Distortion and Residual Stress of Welded Structural SteelEffect of Temperature and Heat Treatment Status on the Ductile Fracture Toughness of 2219 Aluminum AlloyEffect of Environmental Factors of Mannanase on Konjac Glucomannan Molecular DimensionEnrichment Behavior of ? Clusters in Cold-Drawn Ti-45Nb FilamentsLDPE/EVA Modified Film Prepared by Melt Blend Method and Study of its Mechanical Performances and Barrier PropertyEvaluation of Corrosion Resistance of Cu-P-RE Weathering Steels via the Electrochemical MeansEvaluation of the Properties of Polyaspartic Polyurea Coated Concrete Subjected to the Co-Action of Freeze-Thaw Cycles and NaCl Solution ImmersionEvaluation on Microstructure of Aluminum Alloys Dedicated to Plasma EtcherFabrication and EIS Characterization of Titania Nanotube Arrays with Top Non-Tube LayerApplication of High Temperature Quantitative X-Ray Powder Diffraction on Determination of Ternary SystemHydrogen Bond of Polyaspartic Ester Polyurea Coatings and its Influence on Aging BehaviorEffect on the Characteristic and Properties of Carbon Coated LiFePO4/C CompositeInfluence of Colorant on Ink-Jet Printing QualityInfrared Thermal Wave Quantitative Evaluation for Fiber Reinforced CompositesMechanical Properties of a Novel High-Strength Aluminum-Lithium AlloyMechanism of Large Elastic Modulus of BoneCorrelation between Microstructure and Toughness of Crab CarapacePositron Annihilation Spectroscopy Investigation of Hot-Extruded Al-20Si-0.35RE AlloyResearch on the Al3+,V5+ Double Ionic Substitute Negative Thermal Expansion Compound Zr1-xAlxMoW1-yVyO8SEM and AFM Studies on the Surface and Cross Section Morphology of Rayon-Based Activated Carbon FibersSensitivity Analysis for the Cylindrical Pressure Vessel of 16MnR Steel with the Monte-Carlo MethodStructural Characterization of MMT Modified by AcrylamideStudies on Cationic Property of Quaternary PolyethyleneimineStudies on the Thermodynamic and the Miscibility Gap of the Cu2O-Al2O3-SiO2 Pseudo-Ternary SystemStudy on Fluorocarbon Antifouling Coatings with Low Surface EnergyStudy on the Complex of Sodium Tungstate and Urotropine as Inhibitors against Stainless Steel Corrosion in the NaCl SolutionTensile Fracture Characteristics of Polysulfide Sealants Immersed in OilThe Cause Analysis of a Liquid CO2 Tank Explosion on a ShipTime-Dependant Effect Evaluation of Surface Characters in Seawater of Fouling-Release Antifouling Coatings Based on Fluoro-Copolymer? Grain Growth Kinetics of Hot-Rolled TB-13 Alloy