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Terminated in academic year 2019/2020

Computer simulation and modelling in materials engineering

Type of study Follow-up Master
Language of instruction Czech
Code 637-3004/01
Abbreviation PSMMI
Course title Computer simulation and modelling in materials engineering
Credits 6
Coordinating department Department of Non-ferrous Metals, Refining and Recycling
Course coordinator prof. Ing. Jaromír Drápala, CSc.

Subject syllabus

1. Role of mathematical modelling and simulation in modern materials engineering.
2. Use of computer technology at control of technological processes in metal-lurgy, prediction of properties and structure of metallic materials. Database systems in the field of materials engineering.
3. Examples of software applications at teaching of materials engineering and at research metallic materials (database MAT.DB, software Solder Alloys, Soft-ware for Materials Science, software Materials Selector, Digimat MSC Soft-ware).
4. Method CALPHAD - calculation of thermodynamic equilibrium with use of the software THERMOCALC (phase diagrams - binary, ternary, isothermal sections).
5. Thermodynamic properties of components and phases, chemical reactions, equilibrium and non-equilibrium solidification of alloys, meta-stable equilib-ria, para-equilibrium state.
6. Driving force at nucleation, oxidation processes, Pourbaix diagrams, arrange-ment of alloys at a great distance.
7. Simulation of process kinetics using the software DICTRA - diffusion con-trolled transformations in alloys, theory of multi-component diffusion.
8-9. Application of the software DICTRA at heat treatment of alloys: homogeni-sation of alloys, cementation, nitriding, phase transformations in real systems. Evolution of micro-structure - nucleation, growth and coarsening of phases, precipitation sequences.
10. Interdiffusion in multi-component materials.
11. Simulation of welding process - software SYSWELD (prediction of micro-structural changes, hardness, internal stresses and strains during welding).
12. Modelling and simulation of crystallisation processes and refining of metals and semiconductors.
13-14. Software for prediction of the properties of metals and their alloys on the basis of heat treatment parameters.

E-learning

Not available.

Literature

http://katedry.fmmi.vsb.cz/Opory_FMMI_ENG/AEM/Computer%20simmulations.pdf.
JANSSENS, K.G.F. Computational materials engineering: an introduction to microstructure evolution. Burlington: Elsevier/Academic Press, 2007. ISBN 978-0-12-369468-3.
HILLERT, M. Phase equilibria, phase diagrams and phase transformations: their thermodynamic basis. 2nd ed. Cambridge: Cambridge University Press, 2008. ISBN 978-0-521-85351-4.

Advised literature

ANDERSSON, J.-O., T. HELANDER, L. HÖGLUND, S. PINGFANG and B. SUNDMAN. Thermo-Calc & Dictra. Computational Tools For Materials Science. Calphad, 2002, 26 (2), 273-312. ISSN 0364-5916 .
DICTRA User Guide, Version 27
DICTRA Examples Thermo-Calc Software AB. Version 27. Dostupné z: http://www.thermocalc.se.
BRÉCHET, Y., ed. Microstructures, mechanical properties and processes - computer simulation and modelling. Hoboken: Wiley, 2005. ISBN 3-527-60615-7 .