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This book provides a comprehensive exploration of the fundamental principles of thermodynamics and kinetics in materials science, offering a balanced integration of theoretical frameworks, computational methodologies, and real-world applications. Covering both equilibrium and non-equilibrium thermodynamics, it introduces key concepts such as thermodynamic laws, phase diagrams, reaction kinetics, and transport phenomena.
A distinctive feature of this book is its dedicated coverage of computational thermodynamics and kinetics, including CALPHAD modeling, Monte Carlo simulations, phase-field methods, and coupled thermodynamics-kinetics approaches. These topics are critical for understanding the behavior of materials in complex, real-world conditions. Additionally, the book examines capillarity-driven morphological evolution, microstructural coarsening, and diffusion mechanisms, all of which are fundamental to material design and processing.
Designed as a textbook for undergraduate and graduate students, as well as a reference for researchers and professionals, this book provides a structured approach to mastering thermodynamics and kinetics in materials science. The integration of theoretical foundations with computational techniques ensures that readers develop a robust, application-oriented understanding of the subject.
List of contents
Thermodynamics.- Introduction.- The Laws of Thermodynamics.- Thermodynamics of Reactions.- Some Thermodynamic Equations Needed for Kinetics of Materials.- Kinetics.- Diffusion Equation.- Diffusion in Multicomponent Systems.- Influence of Crystal Imperfections on Diffusion.- Diffusion in Non-Crystalline Materials.- Motion of Dislocations and Interfaces.- Crystals, Boundaries Between Crystals and their Motion.- Evolution of Surface and Volume Morphology: The Role of Capillary and Mechanical Forces.- Coarsening of Microstructures Due to Capillary Forces.- Phase Diagrams and Phase Transformations.- Computational Thermodynamics and Kinetics.- Non-Equilibrium Thermodynamics and Kinetics.
About the author
Dr. B.P. Gautham
is currently Chief Scientist in the Knowledge Engineering and Engineering Decision Platforms group at TCS Research, Tata Consultancy Services Ltd., Pune, where he has been contributing to research and innovation advances since 1994. His work focuses on transformational research and next- generation digital solutions for engineering decision-making. He integrates simulation tools, artificial intelligence, and experiments to solve complex industrial problems in product design and manufacturing, with a focus on enhancing performance and optimizing processes. His research interests include knowledge modeling and reasoning for engineering decisions, computational techniques for multi-physics problems, and the application of AI and data science in materials and mechanical engineering.
Dr. Gautham earned his Ph.D. (1994) and B.Tech. (1990) in mechanical engineering from the Indian Institute of Technology, Madras. He has published two books, three book chapters, and over ninety research papers spanning mechanical engineering, materials science, and computer science.
Professor S. Balasivanandha Prabu
is Professor in the Department of Mechanical Engineering at Anna University, Chennai, where he also served as Head of Department from 2021 to 2025. He earned his M.E. from the College of Engineering, Guindy, and completed his Ph.D. at Anna University in 2005. With over two decades of teaching and research experience, his work spans composite materials, nanostructured metals, severe plastic deformation, and advanced manufacturing processes, with a focus on the materials aspects of production engineering. He has published more than 150 research papers, contributed to several books and chapters, and co-authored the acclaimed volume Superplasticity: Common Basis for a Near-Ubiquitous Phenomenon (Springer, 2018). Prof. Prabu’s research and leadership have significantly advanced materials engineering education and industry collaboration in India. He is Inventor of three Indian patents.
Akash Bhattacharjee
is Innovative Computational Materials Scientist with over a decade of experience in alloy design, computational thermodynamics, and integrated computational materials engineering (ICME). His expertise spans microstructure modeling, additive manufacturing, and the application of AI/ML in advanced materials design. At TCS Research, Tata Consultancy Services, he focuses on optimizing digital manufacturing processes for sustainability and energy efficiency. He has extensive experience working with steels, Ni-based superalloys, and aluminum alloys. Akash holds an M.Tech. in materials engineering from the Indian Institute of Science (IISc), Bangalore (2013–2015). He was part of the award-winning team that secured the First Prize in the AM-Bench 2018 international benchmarking competition, organized by NIST, USA, for accurately predicting microstructure evolution during additive manufacturing.
Summary
This book provides a comprehensive exploration of the fundamental principles of thermodynamics and kinetics in materials science, offering a balanced integration of theoretical frameworks, computational methodologies, and real-world applications. Covering both equilibrium and non-equilibrium thermodynamics, it introduces key concepts such as thermodynamic laws, phase diagrams, reaction kinetics, and transport phenomena.
A distinctive feature of this book is its dedicated coverage of computational thermodynamics and kinetics, including CALPHAD modeling, Monte Carlo simulations, phase-field methods, and coupled thermodynamics-kinetics approaches. These topics are critical for understanding the behavior of materials in complex, real-world conditions. Additionally, the book examines capillarity-driven morphological evolution, microstructural coarsening, and diffusion mechanisms, all of which are fundamental to material design and processing.
Designed as a textbook for undergraduate and graduate students, as well as a reference for researchers and professionals, this book provides a structured approach to mastering thermodynamics and kinetics in materials science. The integration of theoretical foundations with computational techniques ensures that readers develop a robust, application-oriented understanding of the subject.
