Computational Materials System Design

Buch | Hardcover

VIII, 233 Seiten

2017 | 1st ed. 2018
Springer International Publishing (Verlag)
978-3-319-68278-5 (ISBN)

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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.

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.

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.

Erscheinungsdatum	29.11.2017
Zusatzinfo	VIII, 233 p. 88 illus., 67 illus. in color.
Verlagsort	Cham
Sprache	englisch
Maße	155 x 235 mm
Gewicht	532 g
Themenwelt	Technik ► Maschinenbau
Schlagworte	CALPHAD • Characterization and Evaluation of Materials • Chemistry and Materials Science • Computational Thermodynamics • Density Functional Theory (DFT) • Diffusion Kinetics • engineering thermodynamics • Engineering Thermodynamics, Heat and Mass Transfer • First-principles Calculations • Integrative Computational Materials Design • Materials Science • Quantum & theoretical chemistry • Quantum & theoretical chemistry • Testing of materials • theoretical and computational chemistry • thermodynamics • Thermodynamics & heat • Thermodynamics & heat
ISBN-10	3-319-68278-4 / 3319682784
ISBN-13	978-3-319-68278-5 / 9783319682785
Zustand	Neuware