637-3004/01 – Computer simulation and modelling in materials engineering (PSMMI)
| Gurantor department | Department of Non-ferrous Metals, Refining and Recycling | Credits | 6 |
| Subject guarantor | prof. Ing. Jaromír Drápala, CSc. | Subject version guarantor | prof. Ing. Jaromír Drápala, CSc. |
| Study level | undergraduate or graduate | Requirement | Compulsory |
| Year | 1 | Semester | summer |
| | Study language | Czech |
| Year of introduction | 2014/2015 | Year of cancellation | 2019/2020 |
| Intended for the faculties | FMT | Intended for study types | Follow-up Master |
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:
Recommended literature:
Additional study materials
Way of continuous check of knowledge in the course of semester
Two check tests. Application of software in materials endineering.
E-learning
Not available.
Other requirements
Three 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. Database systems in the field of materials engineering.
3. Examples of software applications at teaching of materials engineering and at research metallic materials (database MAT.DB, software Solder Alloys, Soft-ware for Materials Science, software Materials Selector, Digimat MSC Soft-ware).
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 non-equilibrium solidification of alloys, meta-stable equilib-ria, para-equilibrium state.
6. Driving force at nucleation, oxidation processes, Pourbaix diagrams, arrange-ment of alloys at a great distance.
7. Simulation of process kinetics using the software DICTRA - diffusion con-trolled transformations in alloys, theory of multi-component diffusion.
8-9. Application of the software DICTRA at heat treatment of alloys: homogeni-sation of alloys, cementation, nitriding, phase transformations in real systems. Evolution of micro-structure - nucleation, growth and coarsening of phases, precipitation sequences.
10. Interdiffusion in multi-component materials.
11. Simulation of welding process - software SYSWELD (prediction of micro-structural changes, hardness, internal stresses and strains during welding).
12. Modelling and simulation of crystallisation processes and refining of metals and semiconductors.
13-14. Software for prediction of the properties of metals and their alloys on the basis of heat treatment parameters.
Conditions for subject completion
Occurrence in study plans
Occurrence in special blocks
Assessment of instruction