Papers by keyword «Molecular Dynamics»
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Powder Diffraction of Small Palladium Crystallites
Authors: Z. Kaszkur
Keywords: Catalysis, Molecular Dynamics, Molecular Simulations, Nanostructure, Palladium, Powder Diffraction
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Structure and Dynamics of Organic Molecules in a Sodalite Matrix: A Combined Molecular Modeling and RIETVELD Refinement Approach
Authors: A.M. Schneider, P. Behrens
Keywords: Minimization, Molecular Dynamics, Rietveld Refinement, Silica Sodalite
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Computer Simulation for Estimation of Mechanical and Thermal Properties of AIN
Authors: H. Kitagawa, Shinichi Ogata
Keywords: Aluminium Nitride, Mechanical Property, Molecular Dynamics, Thermal Properties
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Microstructural Design of Grain Boundaries in Alumina Based Ceramics
Authors: Hisao Suzuki, Hideaki Matsubara
Keywords: Aluminium, Molecular Dynamics, Monte Carlo Method, Sintering
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High Temperature Deformation of Ceramics Simulated by Molecular Dynamics
Authors: H. Ogawa, N. Sawaguchi, Fumihiro Wakai
Keywords: Deformation, Grain Boundary, Molecular Dynamics, Polycrystals, Zirconia
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Atomic Dynamics in Computer Simulated Amorphous Ni1-xZrx Alloys
Authors: H. Teichler
Keywords: Cooperative Processes, Diffusion Mechanism, Metallic Glasses, Molecular Dynamics
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Some Essentials of Simulating Nano-Surfacing Processes Using the Molecular Dynamics Method
Authors: Wun Chet Davy Cheong, Liang Chi Zhang, Hiroaki Tanaka
Keywords: Initial Relaxation, Integration Steps, Molecular Dynamics, Moving Control Volume, Nanosurfacing, Potential Function, Stress Analysis, Temperature Conversion, Thermostat Atoms
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Computational Modeling of Sintering Process in Ceramics
Authors: Hideaki Matsubara, Richard J. Brook
Keywords: Computer Simulation, Grain Growth, Microstructure, Molecular Dynamics, Monte Carlo Method, Sintering, Zirconia
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A Molecular Dynamics Study of Large Deformation of Nanocrystalline Materials
Authors: H. Ogawa, N. Sawaguchi, Fumihiro Wakai
Keywords: Deformation, Molecular Dynamics, Neighbour Switching, Polycrystals, Zirconia
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Interface Models for GB Sliding and Migration
Authors: C. Shet, Hua Long Li, Names Chandra
Keywords: Cohesive Zone Model, Crystal Plasticity, Grain Boundary Sliding, Molecular Dynamics
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