Computational Materials System Design

This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.

List of contents

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.

About the author

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.

Summary

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

Product details

• Assisted by: Saal (Editor), Saal (Editor), James Saal (Editor), Dongwo Shin (Editor), Dongwon Shin (Editor)
• Publisher: Springer, Berlin
• Languages: English
• Product format: Hardback
• Released: 30.11.2017
• EAN: 9783319682785
• ISBN: 978-3-31-968278-5
• No. of pages: 233
• Dimensions: 161 mm x 19 mm x 243 mm
• Weight: 518 g
• Illustrations: VIII, 233 p. 88 illus., 67 illus. in color.
• Subjects: Natural sciences, medicine, IT, technology > Technology > Mechanical engineering, production engineering; B, Chemistry and Materials Science, Thermodynamics, Engineering Thermodynamics, Heat and Mass Transfer, Characterization and Analytical Technique, Materials science, Characterization and Evaluation of Materials, Thermodynamics & heat, Quantum & theoretical chemistry, Theoretical and Computational Chemistry, Chemistry, Physical and theoretical, Theoretical Chemistry, Engineering thermodynamics, Heat engineering, Heat transfer, Mass transfer