Computational Materials System Design

Computational Materials System Design

Saal, James; Shin, Dongwon

Springer International Publishing AG

09/2018

233

Mole

Inglês

9783319885759

15 a 20 dias

454

Descrição não disponível.
Chapter 1. Computational Materials Design, Chapter 2.Hierarchical Materials System Design, Chapter 3. Computational thermodynamics.- Chapter 4.High-Temperature Thermochemistry.- Chapter 5.HHigh-Throughput First-Principles Thermodynamics.- Chapter 6.Phase-Field Simulations.- Chapter 7.Diffusion Kinetics in Multicomponent System.- Chapter 8.Mechanical modeling.- Chapter 9.Solidifcation modeling for casting.- Chapter 10.Ab inito Molecular Dynamics.- chapter 11.Materials Database and Informatics.- Chapter 12. Functional Materials.
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CALPHAD;Computational Thermodynamics;Density Functional Theory (DFT);Diffusion Kinetics;First-principles Calculations;Integrative Computational Materials Design