637-3004/03 – Computer simulation and modelling in materials engineering (PSMMI)

Gurantor departmentDepartment of Non-ferrous Metals, Refining and RecyclingCredits6
Subject guarantorprof. Ing. Jaromír Drápala, CSc.Subject version guarantorprof. Ing. Jaromír Drápala, CSc.
Study levelundergraduate or graduateRequirementCompulsory
Year1Semestersummer
Study languageCzech
Year of introduction2019/2020Year of cancellation
Intended for the facultiesFMTIntended for study typesFollow-up Master
Instruction secured by
LoginNameTuitorTeacher giving lectures
DRA30 prof. Ing. Jaromír Drápala, CSc.
HLI055 Ing. Josef Hlinka, PhD.
BET37 doc. Ing. Petra Váňová, Ph.D.
VOD37 prof. Ing. Vlastimil Vodárek, CSc.
Extent of instruction for forms of study
Form of studyWay of compl.Extent
Full-time Credit and Examination 2+3
Part-time Credit and Examination 14+0

Subject aims expressed by acquired skills and competences

Students will acquire knowledge about different approaches to modelling and prediction of the structure and properties of metallic materials, which find increasingly broader applications in materials engineering. Students will acquire the knowledge necessary for selection of the optimum computer software for solution of particular problems. Students will acquire knowledge about database systems in the field of materials engineering. Student will be able to use the most widely used software for prediction of the structure and properties of metallic materials (programs THERMOCALC, DICTRA, DIGIMAT, MAT.DB, SYSWELD, etc.) Student will be able to predict the structure and properties of metals and alloys, in dependence on the parameters of their technological processing.

Teaching methods

Lectures
Individual consultations
Tutorials
Project work

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:

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.

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. 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.

Way of continuous check of knowledge in the course of semester

Continuous verification of learning outcomes: • full-time study form - 2 written tests, application of software in materials engineering; • combined study form - 1 semestral project. Final verification of study results: • oral exam

E-learning

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

Other requirements

Four computional programs and simulation project of processing technology.

Prerequisities

Subject has no prerequisities.

Co-requisities

Subject has no co-requisities.

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. 3. 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). 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 nonequilibrium solidification of alloys, metastable equilib-ria, paraequilibrium state. 6. Driving force at nucleation, oxidation processes, Pourbaix diagrams, arrangement of alloys at a great distance. 7. Simulation of process kinetics using the software DICTRA - diffusion controlled transformations in alloys, theory of multicomponent diffusion. 8-9. 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. 10. Interdiffusion in multicomponent materials. 11. Simulation of welding process - software SYSWELD (prediction of microstructural changes, hardness, internal stresses and strains during welding). 12. Modelling and simulation of crystallisation processes and refining of metals and semiconductors. 13-14. Software Digimat for prediction of the properties of metals and their alloys.

Conditions for subject completion

Conditions for completion are defined only for particular subject version and form of study

Occurrence in study plans

Academic yearProgrammeField of studySpec.ZaměřeníFormStudy language Tut. centreYearWSType of duty
2020/2021 (N0715A270002) Materials Engineering P Czech Ostrava 1 Compulsory study plan
2020/2021 (N0715A270002) Materials Engineering K Czech Ostrava 1 Compulsory study plan
2019/2020 (N0715A270002) Materials Engineering P Czech Ostrava 1 Compulsory study plan
2019/2020 (N0715A270002) Materials Engineering K Czech Ostrava 1 Compulsory study plan

Occurrence in special blocks

Block nameAcademic yearForm of studyStudy language YearWSType of blockBlock owner