637-0916/02 – Computer simulation and modelling in materials engineering (PoSiMoM)

Gurantor departmentDepartment of Non-ferrous Metals, Refining and RecyclingCredits10
Subject guarantorprof. Ing. Jaromír Drápala, CSc.Subject version guarantorprof. Ing. Jaromír Drápala, CSc.
Study levelpostgraduateRequirementChoice-compulsory type B
YearSemesterwinter + summer
Study languageEnglish
Year of introduction2019/2020Year of cancellation
Intended for the facultiesFMTIntended for study typesDoctoral
Instruction secured by
LoginNameTuitorTeacher giving lectures
DRA30 prof. Ing. Jaromír Drápala, CSc.
VOD37 prof. Ing. Vlastimil Vodárek, CSc.
Extent of instruction for forms of study
Form of studyWay of compl.Extent
Full-time Examination 20+0
Part-time Examination 20+0

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:

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.

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

Full-time form (validity from: 2019/2020 Winter semester)
Task nameType of taskMax. number of points
(act. for subtasks)
Min. number of points
Examination Examination  
Mandatory attendence parzicipation:

Show history

Occurrence in study plans

Academic yearProgrammeField of studySpec.ZaměřeníFormStudy language Tut. centreYearWSType of duty
2021/2022 (P0719D270003) Nanotechnology P English Ostrava Choice-compulsory type B study plan
2021/2022 (P0719D270003) Nanotechnology K English Ostrava Choice-compulsory type B study plan
2021/2022 (P0788D270004) Material sciece and Engineering P English Ostrava Choice-compulsory type B study plan
2021/2022 (P0788D270004) Material sciece and Engineering K English Ostrava Choice-compulsory type B study plan
2020/2021 (P0788D270004) Material sciece and Engineering K English Ostrava Choice-compulsory type B study plan
2020/2021 (P0788D270004) Material sciece and Engineering P English Ostrava Choice-compulsory type B study plan
2020/2021 (P0719D270003) Nanotechnology P English Ostrava Choice-compulsory type B study plan
2020/2021 (P0719D270003) Nanotechnology K English Ostrava Choice-compulsory type B study plan

Occurrence in special blocks

Block nameAcademic yearForm of studyStudy language YearWSType of blockBlock owner