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Computer simulation and modelling in materials engineering

Type of study Follow-up Master
Language of instruction Czech
Code 653-3304/01
Abbreviation PSMMI
Course title Computer simulation and modelling in materials engineering
Credits 6
Coordinating department Department of Materials Engineering and Recycling
Course coordinator Ing. Josef Hlinka, PhD.

Subject syllabus

- Role of mathematical modelling and simulation in modern materials engineering.
- Use of computer technology at control of technological processes in metallurgy, prediction of properties and structure of metallic materials.
- Database systems in the field of materials engineering and research metallic materials (database MAT.DB, software CASTI, software JMatPro, software for Materials Science, software Materials Selector).
- Method CALPHAD - calculation of thermodynamic equilibrium with use of the software THERMOCALC (phase diagrams - binary, ternary, isothermal sections).
- Thermodynamic properties of components and phases, chemical reactions, equilibrium and nonequilibrium solidification of alloys, metastable equilib-ria, paraequilibrium state.
- Driving force at nucleation, oxidation processes, Pourbaix diagrams, arrangement of alloys at a great distance.
- Simulation of process kinetics using the software DICTRA - diffusion controlled transformations in alloys, theory of multicomponent diffusion.
- Application of the software DICTRA at heat treatment of alloys: homogenisation of alloys, cementation, nitriding, phase transformations in real systems.
- Evolution of microstructure - nucleation, growth and coarsening of phases, precipitation sequences.
- Interdiffusion in multicomponent materials.
- Simulation of welding process - software SYSWELD (prediction of microstructural changes, hardness, internal stresses and strains during welding).
- Modelling and simulation of crystallisation processes and refining of metals and semiconductors.
- Software Digimat for prediction of the properties of metals and their alloys.

E-learning

DRÁPALA, J., VODÁREK, V. and VÁŇOVÁ, P. Computer Simulation and Modelling in Materials Engineering. Study Support, VSB – TU Ostrava, 2015, 74 p.

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 .