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# Thermodynamics and Kinetics of Materials

IIT Hyderabad and NPTEL via Swayam

### Overview

ABOUT THE COURSE: This course introduces the fundamental concepts of thermodynamics and kinetics to students of Metallurgy and Materials Engineering. Major topics covered by this course are laws of thermodynamics, thermodynamic potentials, principles of phase equilibria, theory of solutions, thermodynamics of chemical reactions, thermodynamics of surfaces, rates of reactions, principles of irreversible thermodynamics, phenomenology of diffusion and atomic mechanisms of diffusion in solids. At the end of this course, a student learns how to apply thermodynamic principles to assess the feasibility of processes, calculate phase equilibrium conditions in multicomponent, multiphase materials, construct phase diagrams, calculate thermodynamic driving force for phase change, understand the principles of kinetics of irreversible processes such as rates of reactions and diffusion processes in materials. The course also includes a virtual laboratory where the student learns to compute phase equilibria and phase diagrams of unary, binary, and ternary systems and perform simulations of diffusion using the free ThermoCalc education package and open source Pycalphad and FiPy.INTENDED AUDIENCE: Undergraduate Students and First Year PG studentsINDUSTRY SUPPORT: Tata Steel, JSW, General Electric, Eaton, Kennametal India, TCS-Engineering, Hindalco, MIDHANI. In general, all Materials and Manufacturing Industries that engage in materials processing and design

### Syllabus

Module 1:Thermodynamic systems and variables, state of a system. Laws of thermodynamics – first law and thermodynamic processes – definitions of internal energy, enthalpy, specific heat, applications in thermochemistry; second law – reversible and irreversible processes – concept of entropy and its statistical interpretation; third law – absolute scale of temperature and absolute entropy. Reservoirs and thermodynamic potentials - Helmholtz free energy, Gibbs free energy, chemical potential. Thermodynamic relations. Maxwell’s relations and their applications – relations between directly measurable and not directly measurable thermodynamic quantities
Module 2:Thermodynamic equilibrium and stability, Gibbs phase rule, Clausius-Clapeyron equation; Thermodynamics of solutions: partial molar quantities, Gibbs-Duhem relation, boiling and freezing points, ideal and non-ideal solutions, activity, quasichemical solution models, applications in clustering and ordering transformations.
Module 3:Gibbs free energy-composition diagrams in binary systems – construction of binary phase diagrams; Thermodynamics of reactions; Thermodynamics of surfaces. CALPHAD method – computer calculations of phase stability and phase diagrams
Module 4:Kinetics of reactions, Thermodynamics of irreversible processes - concepts of forces and fluxes; Phenomenology of diffusion - Fick's laws; Solutions to diffusion equation. Atomic mechanisms of diffusion – random walk process -interstitial and substitutional diffusion. Interdiffusion – Kirkendall effect, Darken relations. Diffusion in multicomponent and multiphase systems – numerical examples.

### Taught by

Prof. Saswata Bhattacharya

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