C8965 Equilibrium states and phase transformations of materials

Faculty of Science
Autumn 2024
Extent and Intensity
2/0/0. 2 credit(s) (plus extra credits for completion). Type of Completion: zk (examination).
In-person direct teaching
Teacher(s)
prof. RNDr. Jiří Sopoušek, CSc. (lecturer)
Guaranteed by
prof. RNDr. Jiří Sopoušek, CSc.
Department of Chemistry – Chemistry Section – Faculty of Science
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science
Prerequisites
Knowledge corresponding to basic subjects for specialisation in Material chemistry. Successful completion of lecture C6730 Phase Equilibria or its equivalent on other university.
Course Enrolment Limitations
The course is also offered to the students of the fields other than those the course is directly associated with.
fields of study / plans the course is directly associated with
Course objectives
After completing this course, the student should manage problem-solving of equilibrium states and kinetic of phase transformations in materials. At the same time, students will learn about how they work   software for calculations of equilibrium states (phase diagrams) and kinetics of phase transformations of materials based on metals and alloys.
Learning outcomes
Students will learn how to solve problems of equilibrium states and kinetics of phase changes in materials. At the same time students will gain knowledge about how SW works for equilibrium states and kinetics of phase transformations of materials based on metals and alloys.
Syllabus
  • 1. Thermodynamic of phases of pure substances and several component mixtures. Standard state. Phase nomenclature. Gibbs-Duhem equation. Gibbs energy of real system. Excess functions. 2. Phase structures and their crystallography. Lattice defects. Thermodynamics of stoichiometry and non-stoichiometry phases and chemical compounds. Conservation laws of mass, charge, and stoichiometry in thermodynamic systems. Phase rule and phase stability. 3. Gibbs energy of system. Chemical potential and activity. Differential equations of phase equilibrium, integral equation of phase equilibrium. Phase equilibrium formation. 4. Mathematical solution of phase equilibrium. Calculations and predictions of phase diagrams. Methods, programs and thermodynamic databases for phase equilibrium calculations. CALPHAD approach. 5. Phase diagrams. Fundamental types of phase diagrams, visualization, possible phase boundaries, and phase diagram cross-sections. Use of phase diagrams. 6. Experimental methods of phase equilibria study. Gain of phase data and thermodynamic data. Measurements of thermodynamic functions. Thermal analysis (cooling curves, DTA, DSC, ...). Data sources and their accuracy. 7. Real phase equilibria. Unary systems, binary systems (coexistence of gas, liquid, and solid phases; mixture of volatile liquids; distillation; sublimation; dissolutions). Phase diagrams of several component systems (coexistence of solid phases; extraction; purification; chemical compounds inside phase diagram; intermetallics). 8. Examples of phase equilibrium and phase diagram calculations for systems. Relationship between phase, physical, and mechanical properties. 9. Phase transformations. Stable and metastable phase equilibria. Diffusion-less phase transformations. Role of diffusion and nucleation at equilibrium establishing. 10. Diffusion. Essentials. Atomic mechanisms of diffusion. Fick's laws of diffusion. Boundary conditions. Analytical and numerical solutions of diffusion equations. 11. Diffusion in real systems. Atomic mobility. Mass fluxes. Kinetic and thermodynamic factors of diffusion. 12. Diffusion controlled phase transformations. Heterogeneous real systems. Diffusion and equilibrium at high and low temperatures. Simulation programs (DICTRA). 13. Phase equilibria and diffusion controlled processes in chemical laboratory and technology. Coarsening and dissolving of phases, optimization of material technology treatment, homogenization, nitriding, weld stability, protective layers, transformation diagrams, ...
Literature
  • GASKELL, David R. Introduction to the thermodynamics of materials. 5th ed. New York: Taylor & Francis, 2008, xv, 618. ISBN 9781591690436. info
  • SAUNDERS, Nigel and Peter A. MIODOWNIK. Calphad :calculation of phase diagrams : a comprehensive guide. Oxford: Pergamon, 1998, xvi, 479 s. ISBN 0-08-042129-6. info
  • PORTER, David A. Phase Transfformations in Metal and Alloys. New York: Van Nostrand Reinhol, 1981, 445 s. ISBN 0-442-30439-0. info
  • ROQUE-MALHERBE, Rolando M. A. The physical chemistry of materials : energy and environmental applications. Boca Raton: CRC Press, 2010, xxi, 500. ISBN 9781420082722. info
  • SMALLMAN, R. E. and R. J. BISHOP. Modern physical metallurgy and materials engineering : science, process, applications. 6th ed. Oxford: Butterworth-Heinemann, 1999, ix, 438. ISBN 0750645644. info
Teaching methods
Lectures. Group discussion.
Assessment methods
Oral exam. Final assessment - oral examination.
Language of instruction
Czech
Further comments (probably available only in Czech)
Study Materials
The course is also listed under the following terms Autumn 2015, Autumn 2016, autumn 2017, Autumn 2018, Autumn 2019, Autumn 2020, autumn 2021, Autumn 2022, Autumn 2023.
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