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[资源] 【分享】【经典巨著】计算系列 II《Handbook of Materials Modeling》 Part A

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