Computational Materials System Design

Provides a comprehensive guide for utilizing computational tools for materials design and processing

Covers the fundamentals of thermodynamics and kinetics

Explains how thermodynamics and kinetics can be integrated and can supplement each other

Autorentext

Dr. Dongwon Shin is a Research and Development staff member at Oak Ridge National Laboratory.

Dr. James Saal is the Manager of Technology at QuesTek Innovation, LLC.

Inhalt
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.