After successful completion of the course, students are able to operate established computer programs for calculations of physico-chemical and thermodynamic properties of inorganic materials. Further, students are then able to simulate precipitation processes during different, technologically relevant thermo-mechanical trearments.
Moreover, students are then able to citically assess and interprete computed data.
-) Presentation of ThermoCalc, MatCalc and JMat Pro
-) Learning and practicing of program handling by simple examples
-) Insight into the functionality of databases
-) Critical formulation of input parameters for simulations
-) Validation and critical interpretation of acquired results
-) Simulations in real alloys for high temperature applications
Notebook is required!
Introduction into the software-modules and -fucntionalities
Overview of comptable materials properties
Introduction to software commands
Computations of exercise examples
Joint performance of technological case studies
Notebook required!
1) Report containing the exercises carried out and discussion of the results
2) Home exercise case study: Each student develops a computational materials engineering computation based on a scientific article provided
E. Kozeschnik and B. Buchmayr: MatCalc – A simulation tool for multicomponent thermodynamics, diffusion and phase transformations, in: H. Cerjak, H.K.D.H. Bhadeshia (Eds.), Mathematical Modelling of Weld Phenomena 5 book 738, (2001).
K.G.F. Janssens, D. Raabe, E. Kozeschnik, M.A. Miodownik, B. Nestler: Computational Materials Engineering. An Introduction to Microstructure Evolution. London: Elsevier Academic Press; 2007.
N. Saunders and A.P. Miodownik, Calphad Calculation of Phase Diagrams, Pergamon Materials Series, Vol. 1. Elsevier Science Ltd., 1998, p 94-96
http://www.sentesoftware.co.uk/home.aspx
http://www.thermocalc.com/
http://www.matcalc.at
Understanding and reading / interpreting of simple equilibrium phase diagrams
basic knowledge: What is a phase?
What is a crystallograpic structure
Structures of alloy matrix phases (fcc. bcc, ..)