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【分享】【经典巨著】计算系列 II《Handbook of Materials Modeling》 Part A
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图书 Handbook of Materials Modeling Part A 出版社 Springer Netherlands DOI 10.1007/978-1-4020-3286-8 版权 2005 ISBN 978-1-4020-3287-5 (Print) 978-1-4020-3286-8 (Online) 学科分类 物理和天文学 SpringerLink Date 2007年11月17日 1. A Lattice Based Screw-Edge Dislocation Dynamics Simulation of Body Center Cubic Single Crystals 2.Ab Initio Atomistic Thermodynamics and Statistical Mechanics of Surface Properties and Functions 3.Ab Initio Molecular Dynamics Simulations of Biologically Relevant Systems 4.Ab Initio Study of Mechanical Deformation 5.Accelerated Molecular Dynamics Methods 6.Achieving Predictive Simulations with Quantum Mechanical orces Via the Transfer Hamiltonian: Problems and Prospects 7.An Introduction to Orbital-Free Density Functional Theory 8.Atomistic Calculation of Mechanical Behavior 9.Atomistic Simulations of Fracture in Semiconductors 10.Atomistic Visualization 11.Atomistics of Fracture 12.Basic Molecular Dynamics 13.Basic Monte Carlo Models: Equilibrium and Kinetics 14.Breakup and Coalescence of Free Surface Flows 15.Cascade Modeling 16.Certified Real-Time Solution of Parametrized Partial Differential Equations 17.Computing Microstructural Dynamics for Complex Fluids 18.Concepts for Modeling Electrons in Solids: A Perspective 19.Concurrent Multiscale Simulation at Finite Temperature: Coarse-Grained Molecular Dynamics 20.Conformal Mapping Methods for Interfacial Dynamics 21.Continuum Damage Mechanics 22.Continuum Descriptions of Crystal Surface Evolution 23.Crystal Plasticity 24.Data Mining in Materials Development 25.Density-Functional Perturbation Theory 26.Diffusion and Configurational Disorder in Multicomponent Solids 27.Discrete Dislocation Plasticity 28.Dislocation Dynamics 29.Ductile Fracture 30.Elastic Stability Criteria and Structural Bifurcations in Crystals Under Load 31.Electronic Scale 32.Electronic Structure Calculations with Localized Orbitals: The Siesta Method 33.Electronic Structure Methods: Augmented Waves, Pseudopotentials and the Projector Augmented Wave Method 34.Energy Minimization Techniques in Materials Modeling 35.Ensembles and Computer Simulation Calculation of Response Functions 36.Environment-Dependent Tight-Binding Potential Models 37.Equation-Free Modeling for Complex Systems 38.Finite Elements in Ab Initio Electronic-Structure Calculations 39.First-Principles Modeling of Phase Equilibria 40.First-Principles Molecular Dynamics 41.Free-Energy Calculation Using Nonequilibrium Simulations 42.Generating Equilibrium Ensembles Via Molecular Dynamics 43.Hybrid Quantum Mechanics/MolecularMechanics Methods and their Application 44.Interatomic Potential Models for Ionic Materials 45.Interatomic Potentials: Ferroelectrics 46.Interatomic Potentials: Molecules 47.Interatomic Potentials for Metals 48.Internal State Variable Theory 49.Introduction: Atomistic Nature of Materials 50.Mathematical Strategies for the Coarse-Graining of Microscopic Models 51.Mesoscale/Macroscale Computational Methods 52.Microstructure-Sensitive Computational Fatigue Analysis 53.Modeling Covalent Bond with Interatomic Potentials 54.Modeling Dislocations Using a Periodic Cell 55.Modeling Irradiation Damage Accumulation in Crystals 56.Modeling Lipid Membranes 57.Modern Interface Methods for Semiconductor Process Simulation 58.Multimillion Atom Molecular-Dynamics Simulations of Nanostructured Materials and Processes on Parallel Computers 59.Multiscale Computation of Fluid Flow in Heterogeneous Media 60.Multiscale Modeling of Crystalline Solids 61.Non-Equilibrium Molecular Dynamics 62.Overview of Chapter 4: Mathematical Methods 63.Perspective: Free Energies and Phase Equilibria 64.Perspective on Continuum Modeling of Mesoscale/Macroscale Phenomena 65.Quasiparticle and Optical Properties of Solids and Nanostructures: The GW-BSE Approach 66.Radiation Effects in Fission and Fusion Reactors 67.Statistical Physics of Rupture in Heterogeneous Media 68.Texture Evolution During Thin Film Deposition 69.The Peierls–Nabarro Model of Dislocations: A Venerable Theory and its Current Development 70.The Theory and Implementation of the Quasicontinuum Method 71.Theory of Random Heterogeneous Materials 72.Thermal Transport Process by the Molecular Dynamics Method 73.Tight-Binding Total Energy Methods for Magnetic Materials and Multi-Element Systems 74.Toward a Shear-Transformation-Zone Theory of Amorphous Plasticity 75.Understand, Predict, and Design http://www.namipan.com/d/095b02d ... 4cb4b2d0e7885486003 该手册是专题性质的，涵盖了计算的各个领域，从方法到体系，面面俱到。全书一共180个专题，2000多页，分为A、B两册 该部分是A册，一共75个专题，可能顺序有些不对，不影响阅读，虫虫们可以选择自己感兴趣的部分看即可  [ Last edited by ufoer on 2009-4-14 at 11:29 ] |
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