Add to Cart

Thermodynamics, Kinetics and Microstructure Modelling

Simon Gill


This course text provides a practical hands-on introduction to the essentials of kinetics, thermodynamics and microstructure modelling of materials. It provides concise practical descriptions of kinetics and microstructure modelling, condensing the essential information into an engaging and accessible text. Class tested by graduate students, the book includes worked examples throughout and is supplemented with phase diagram calculation software to aid learning. This book is ideal as a practical course for final year undergraduates and masters students in materials science and engineering, and is a core text for courses on thermodynamics, phase diagrams, kinetics and microstructure modelling.

About Editors

Professor Simon P A Gill is the Chair in Theoretical Mechanics at the University of Leicester, UK. His research has largely focused on the development and application of novel numerical techniques for modelling the mechanics and evolution of material systems. His papers cover a wide variety of problems, material systems and numerical methods.

Table of Contents

1. Definition of Gibbs free energy
a. Enthalpy
b. Entropy
c. Gibbs free energy
2. Two phase system with one component
3. One phase system with two components
a. Entropy of mixing
b. Energy of mixing
c. Total Gibbs free energy
d. A simple phase diagram
e. Chemical potential
4. Two phase system with two components
a. Phase diagram for case with zero excess energy
b. Equilibrium conditions in two phase regions
c. Effect of excess (mixing) energies on phase diagrams (Exercise)
5. Sub-lattice models and stoichiometric phases
a. Sub-lattice model
b. Phase diagrams and stoichiometric phases
6. Real binary systems
7. Energy change for nucleation of new phases in binary systems
a. Relation to classical nucleation theory
8. Ternary systems and beyond
a. How to read a ternary phase diagram
b. A simple ABC ternary system
c. A real ternary system (Ga – Sb – Zn)
9. A real multicomponent system (Inconel 617)
10. Microstructure and material properties
a. Yield stress
b. Creep
11. Kinetic processes
a. Constitutive law for diffusion
b. Rate of change of composition
c. TDB files and mobility databases
12. Nucleation energy
a. Homogeneous nucleation
b. Heterogeneous nucleation
13. Nucleation rate
14. Precipitate growth
a. Interface-controlled growth
b. Diffusion-controlled growth
15. Coarsening
a. A macroscopic model of coarsening
b. A microscopic view of coarsening (Gibbs-Thomson relationship)
16. Putting it altogether
a. A two-particle model
b. Population balance (or KWN) models
17. Massive transformations
a. Avrami equation
b. A fast, single variable model for phase transformations
c. Metastable phases


Hardback ISBN: 9780750331456

Ebook ISBN: 9780750331470

DOI: 10.1088/978-0-7503-3147-0

Publisher: Institute of Physics Publishing


« Back