PEM5102 - Thermodynamic Modelling of Phase Diagrams
Form professor
Prof. Dr. Luiz Tadeu Fernandes Eleno,
Prof. Dr. Carlos Angelo Nunes,
Prof. Dr. Gilberto Carvalho Coelho
Workload
| Theoretical |
Practical |
Study |
Duration |
Total |
Credits |
| 4 hours/week |
2 hours/week |
6 hours/week |
15 weeks |
180 hours |
12 |
See on Janus (pt-br)
Concentration area
97135 - Conventional and Advanced Materials
Objectives
Introduce students to the fundamentals of thermodynamic calculation of phase diagrams based on the CALPHAD method. The most important experimental techniques for the determination of phase equilibrium and experimental measurements of thermodynamic quantities are reviewed as well as the thermodynamic grounds on which the phase diagrams are based.
Motivation
To enable students in techniques of Computational Thermodynamics, comprising the generation of thermodynamic databases and their applications in Materials Science and Engineering.
Syllabus
- Experimental Methods of Phase Diagram Investigation:
- Optical and electron microscopy;
- Quantitative Metallography;
- Thermal analysis;
- X-ray diffraction;
- colorimetric methods;
- emf measurements.
- Modeling of Gibbs free energy for phases description:
- Ideal solution;
- Regular solution;
- Sublattice model, Compound Energy Formalism.
- Thermodynamic Calculation of Phase Diagrams (CALPHAD method):
- Generation of thermodynamic databases: Optimization of binary systems;
- Use of thermodynamic databases in Materials Science and Engineering.
Evaluation criteria
The grades are assigned by evaluating homework and seminars to be done individually and/or in group.
Observations
References
- O. Kubaschewski; E. L. Evans; C.B. Alcock. Metallurgical Thermochemistry. Pergamon Press, Oxford, 1967.
- L. Darken; R. Gurry. Physical Chemistry of Metals. McGraw-Hill, New York, 1953.
- L.H. Bennett, editor. Computer Modelling of Phase Diagrams. The Metallurgical Society of AIME, Warendale, PA, 1986.
- K. Hack, editor. The SGTE casebook – Thermodynamics at work. The Institut of metals, london, 1996.
- B. Sundman, J. Ågren. A regular Solution Model for Phases with several Components and Sublattices, Suitable for Computer Applications. J. Phys. Chem. Sol., 42 (1981) 297-302.
- B. Sundman. Review of Alloys Modeling. Anales de Física B, 86 (1990) 69-82.
- P.J. Spencer. Development of Thermodynamic Databases and their elevancefor the Solution of Technical Problems. Zeitschrift für Metallkunde, 87 (1996) 535-539.
- L. Kaufman, editor. User Applications of Alloy Phase Diagrams. Proceedoings of an International Conference on User Applications of Alloy Phase Diagrams, Materials Week´86, ASM, 1986.
- H.L. Lukas. Manual of the ComputerPrograms BINGSS, BINFKT, TERGSS and TERFKT. Max-Planck-Institut für Metallforschung, PML, Stuttgart, 1992.
- B. Sundman. Thermo-Calc-User’s Guide and Examples. Royal Institute of Technology, Stockolm, 1993.