Computer simulation and modelling in materials engineering

Type of study	Doctoral
Language of instruction	English
Code	653-0916/02
Abbreviation	PoSiMoM
Course title	Computer simulation and modelling in materials engineering
Credits	10
Coordinating department	Department of Materials Engineering and Recycling
Course coordinator	prof. Ing. Vlastimil Vodárek, CSc.

Subject syllabus

Mathematical modelling and simulation in modern materials engineering.
Usage of computer technology at the proceeding of technological processes in metallurgy, prediction of properties and structure of metallic materials.
Database systems in materials engineering and research of metallic materials (database MAT.DB, software JMatPro, software Materials Science, software Materials Selector, software CASTI, software Metals).
CALPHAD – calculation if thermodynamic equilibria by the help of software THERMOCALC (phase diagram – binary, ternary, isothermal cuts).
Thermodynamic properties of components and phases, chemical reactions, equilibrium and non-equilibrium solidification of alloys, metastable equilibrium,para-equiliibrium state.
Driving force at nucleation, oxidizing processes, Pourbaix diagrams.
Simulation of kinetics prpcesses by means of software DICTRA, application DICTRA in the area of heat treatment of alloys: homogenization of alloys, cementation, nitriding, phase transformations in real systems. Microstructure evolution– nucleation, growth and coarsening of phases, precipitation sequences.
Interdiffusion in multicomponent materials.
Simulation of the welding process – software SYSWELD
Modelling and simulation of crystallization processes and purification of metals and semiconductor materials.
Software Digimat for prediction of properties of metallic alloys and composite materials.

E-learning

DRÁPALA, J., V. VODÁREK and P. VÁŇOVÁ. Computer Simulation and Modelling in Materials Science. Study support. Ostrava: VŠB – TU Ostrava, 2015.

Literature

DRÁPALA, J., V. VODÁREK, P. VÁŇOVÁ.Computer simulation and modelling in materials engineering. Study Support. Ostrava: VŠB – TU Ostrava, 2015.
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. .
DICTRA User Guide, Version 27. DICTRA Examples Thermo-Calc Software AB. Version 27.
BRÉCHET, Y., ed. Microstructures, mechanical properties and processes - computer simulation and modelling. Hoboken: Wiley, 2005.

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