Computational thermodynamics of materials

• Main Author: Liu, Zi-Kui
• Other Authors: Wang, Yi (Writer on thermodynamics)
• Format: Electronic eBook
• Language: English
• Published: Cambridge : Cambridge University Press, 2016.
• Subjects: Materials > Thermal properties.; Thermodynamics.; Heat > Transmission > Mathematical models.; elektronické knihy; electronic books
• ISBN: 9781523103515; 1523103515; 9781139018265; 1139018264; 9780521198967; 0521198968
• Physical Description: 1 online resource (vii, 251 pages) : illustrations

Includes worked examples, case studies, and end-of-chapter problems, this unique book offers an unrivalled and in-depth understanding of the computational-based thermodynamic approach and how it can be used to guide the design of materials for robust performances. --

Table of Contents:

• Laws of thermodynamics
• Gibbs energy function
• Phase equilibria in heterogeneous systems
• Experimental data for thermodynamic modeling
• First-principles calculations and theory
• CALPHAD modeling of thermodynamics
• Applications to chemical reactions
• Applications of electrochemical systems
• Critical phenomena, thermal expansion, and Materials Genome®
• Appendix A : YPHON
• Appendix B : SQS templates.