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

图书 Handbook of Materials Modeling Part B
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

共 105 章
1.3-D Mesoscale Plasticity and its Connections to Other Scales
2.A Modern Perspective on Transition State Theory
3.A Perspective of Materials Modeling
4.A Perspective on Dislocation Dynamics
5.An Application Oriented View on Materials Modeling
6.Approximate Quantum Mechanical Methods for Rate Computation in Complex Systems
7.Atomistic Methods for Structure–Property Correlations
8.Atomistic Potentials for Polymers and Organic Materials
9.Atomistic Simulation of Ferroelectric Domain Walls
10.Bridging the Gap between Atomistics and Structural Engineering
11.Bridging the Gap between Quantum Mechanics and Large-Scale Atomistic Simulation
12.Brownian Dynamics Simulations of Polymers and Soft Matter
13.Coarse-Graining Methodologies for Dislocation Energetics and Dynamics
14.Coherent Precipitation – Phase Field Method
15.Commentary on Liquid Simulations and Industrial Applications
16.Computer Simulations of Supercooled Liquids and Glasses
17.Concurrent Lifetime-Design of Emerging High Temperature Materials and Components
18.Crystal Disordering in Melting and Amorphization
19.Dangers of “Common Knowledge” in Materials Simulations
20.Defects and Impurities in Semiconductors
21.Defects and Ion Migration in Complex Oxides
22.Determining Reaction Mechanisms
23.Diffusion in Solids
24.Diffusional Transformations: Microscopic Kinetic Approach
25.Discrete Simulation Automata: Mesoscopic Fluid Models Endowed with Thermal Fluctuations
26.Dislocation Cores and Unconventional Properties of Plastic Behavior
27.Dislocation Dynamics – Phase Field
28.Dislocation-Pressure Interactions
29.Dissipative Particle Dynamics
30.Drowning in Data – A Viewpoint on Strategies for Doing Science with Simulations
31.Elastic Behavior of Interfaces
32.Fast Ion Conductors
33.Ferroic Domain Structures using Ginzburg–LandauMethods
34.Field-Theoretic Simulations
35.Finite Difference, Finite Element and Finite Volume Methods for Partial Differential Equations
36.Grain Boundaries in Nanocrystalline Materials
37.High-Temperature Structure and Properties of Grain Boundaries
38.How Fast Can Cracks Move?
39.Hybrid Atomistic Modelling of Materials Processes
40Hybrid Atomistic–Continuum Formulations for Multiscale Hydrodynamics
41.Interplay between Materials Theory and High-Pressure Experiments
42.Introduction: Microstructure
43.Introduction: Modeling Crystal Interfaces
44.Introduction: Rate Processes
45.Kinetic Monte Carlo Method to Model Diffusion Controlled Phase Transformations in the Solid State
46.Kinetic Monte Carlo Simulation of Non-Equilibrium Lattice-Gas Models: Basic and Refined Algorithms Applied To Surface Adsorption Processes
47.Kinetic Theory and Simulation of Single-Channel Water Transport
48.Lattice Boltzmann Methods for Multiscale Fluid Problems
49.Lattice Gas Automaton Methods
50.Level Set Dislocation Dynamics Method
51.Level Set Methods for Simulation of Thin Film Growth
52.Liquid and Glassy Water: Two Materials of Interdisciplinary Interest
53.Material Science of Carbon
54.Materials by Design
55.Measurements of Interfacial Curvatures and Characterization of 56.Mechanics of Lipid Bilayer Membranes
57.Meshless Methods for Numerical Solution of Partial Differential Equations
58.Mesoscale Models of Fluid Dynamics
59.Microstructural Characterization Associated with Solid–Solid Transformations
60.Microstructure Optimization
61.Modeling at the Speed of Light
62.Modeling Coarsening Dynamics using Interface Tracking Methods
63.Modeling of Complex Polymers and Processes
64.Modeling Soft Matter
65.Modeling the Dynamics of Dislocation Ensembles
66.Monte Carlo Methods for Simulating Thin Film Deposition
67.Monte Carlo Simulation of Chain Molecules
68.Multi-Scale Modeling of Hypersonic Gas Flow
69.Multiscale Modeling of Polymers
70.Order Parameter Approach to Understanding and Quantifying the Physico-Chemical Behavior of Complex Systems
71.Perspectives on Experiments, Modeling and Simulation of Grain Growth
72.Phase-Field Modeling
73.Phase-Field Modeling of Grain Growth
74.Phase-Field Modeling of Solidification
75.Plasticity at the Atomic Scale: Parametric, Atomistic, and Electronic Structure Methods
76.Point Defects
77.Point Defects in Metals
78.Point Defects in Simple Ionic Solids
79.Polymers and Soft Matter
80.Progress in Unifying Condensed Matter Theory
81.Protein Folding: Detailed Models
82.Quantum Rate Theory: A Path Integral Centroid Perspective
83.Quantum Simulations as a Tool for Predictive Nanoscience
84.Quantum Theory of Reactive Scattering and Adsorption at Surfaces
85.Recrystallization Simulation by Use of Cellular Automata
86.Rotational Isomeric State Methods
87.Simple Models for Nanocrystal Growth
88.Simplified Models of Protein Folding
89.Simulating Fluid and Solid Particles and Continua with SPH and SPAM
90.Simulating Reactions that Occur Once in a Blue Moon
91.Simulations of Interfaces between Coexisting Phases: What Do They Tell us?
92.Stochastic Chemical Kinetics
93.Stochastic Equations for Thin Film Morphology
94.Stochastic Theory of Rate Processes
95.Stokesian Dynamics Simulations for Particle Laden Flows
96.Structure and Energy of Grain Boundaries
97.The Bond Fluctuation Model and Other Lattice Models
98.The Direct Simulation Monte Carlo Method: Going Beyond Continuum Hydrodynamics
99.The Fluctuation Theorem and its Implications for Materials Processing and Modeling
100.The Future of Simulations in Materials Science
101.The Limits of Strength
102.The Role of Theory and Modeling in the Development of Materials for Fusion Energy
103.Towards a Coherent Treatment of the Self-Consistency and the Environment-Dependency in a Semi-Empirical Hamiltonian for Materials Simulation
104.Transition Path Sampling
105.Where are the Gaps?

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