637-0916/01 – Computer simulation and modelling in materials engineering (PoSiMoM)
| Gurantor department | Department of Non-ferrous Metals, Refining and Recycling | Credits | 10 |
| Subject guarantor | prof. Ing. Jaromír Drápala, CSc. | Subject version guarantor | prof. Ing. Jaromír Drápala, CSc. |
| Study level | postgraduate | Requirement | Choice-compulsory type B |
| Year | | Semester | winter + summer |
| | Study language | Czech |
| Year of introduction | 2019/2020 | Year of cancellation | |
| Intended for the faculties | FMT | Intended for study types | Doctoral |
Subject aims expressed by acquired skills and competences
The aim of the subject is to introduce students to modern methods of simulation and modelling of microstructure and properties of metallic materials.
To demonstrate application of basic thermodynamic laws for prediction of thermodynamic equilibrium and multicomponent diffusion theory for a simulation of microstructural evolution in diffusion con-trolled processes. To introduce students to tools allowing prediction of properties of metals and alloys, depending on parameters of their technological processing.
Teaching methods
Lectures
Seminars
Individual consultations
Tutorials
Summary
The aim of the course is to acquaint the students with modern methods of simulation and modelling of the structure and properties of metallic materials, to demonstrate the use of basic laws of thermo-dynamics at prediction, and of thermodynamic equilibrium and multicomponent diffusion theory at simulation of the of microstructure evolution by the diffusion-controlled processes, and to acquaint the students with the tools enabling prediction of the properties of metals and alloys in dependence on the parameters of their technological processing.
Compulsory literature:
Recommended 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.
BRÉCHET, Y., ed. Microstructures, mechanical properties and processes - computer simulation and modelling. Hoboken: Wiley, 2005.
Way of continuous check of knowledge in the course of semester
Writing exam, active working at the practical teaching on PC.
E-learning
DRÁPALA, J., V. VODÁREK and P. VÁŇOVÁ. Computer Simulation and Modelling in Materials Science. Study support. Ostrava: VŠB – TU Ostrava, 2015.
Other requirements
Active application of the software for prediction of structure and properties of metallic materials (THERMOCALC, DICTRA, DIGIMAT, MAT.DB, SYSWELD, JMatPro...)
Minimal 60 % of succes at the writing exam.
Prerequisities
Subject has no prerequisities.
Co-requisities
Subject has no co-requisities.
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.
Conditions for subject completion
Occurrence in study plans
Occurrence in special blocks
Assessment of instruction
Předmět neobsahuje žádné hodnocení.