Computational materials science : the simulation of materials microstructures and properties / Dierk Raabe.

Includes bibliographical references and index.

Front Matter -- Introduction and Fundamentals. Introduction -- Modeling and Simulation in Materials Science -- Fundamentals and Solution of Differential Equations -- Simulation Techniques at the Nanoscopic₆Microscopic Scale. Fundamentals -- Statistical Mechanics in Atomic-Scale Simulations -- Monte Carlo Simulation and Integration -- Molecular Dynamics -- Simulation Techniques at the Microscopic₆Mesoscopic Scale. Introduction -- Discrete Dislocation Statics and Dynamics: Sections 9.1₆9.3 -- Discrete Dislocation Statics and Dynamics: Sections 9.4₆9.8 -- Ginzburg₆Landau-Type Phase Field Kinetic Models -- Cellular Automata -- Mesoscale Kinetic Monte Carlo and Potts Models -- Geometrical and Component Models -- Topological Network and Vertex Models -- Simulation Techniques at the Mesoscopic₆Macroscopic Scale. Introduction -- Finite Element and Difference Methods at the Meso--Macroscale -- Polycrystal Elasticity and Plasticity Models -- Integrated Modeling and Simulation. Fundamentals -- Space and Time Scales in Microstructure Simulation -- Appendices. Appendix A: General Reading -- Appendix B: Computer Classification -- Appendix C: Advanced Empirical Methods -- Appendix D: Percolation Theory -- References -- Index.

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