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Computational materials science [electronic resource] : surfaces, interfaces, crystallization / A.M. Ovrutsky and A.S. Prokhoda, Department of Physics of Metals, Faculty of Physics, Electronics and Computer Systems, Oles Gonchar Dnipropetrovs'k National University, Dnipropetrovs'k, Ukraine ; M.S. Rasshchupkyna, Department of Low-Dimensional and Metastable Materials, Max Planck Institute for Intelligent Systems, Stuttgart, Germany.

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內容註

Computer modeling of physical phenomena and processes Basic concepts in theory of phase transformations Diffusion problems of crystal growth: methods of numerical solutions Structure of the boundary surfaces Adsorption. The Gibbs Adsoprtion Equation Simulation techniques for atomic systems The surface processes during crystalization Modern simulations by the molecular dynamics method Computational experiments in materials science.

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