The scientific tool box for enjoyable computational materials engineering © MatCalc (2011)
 
 
 
 
 
 
 
 
   
 
   

Course 2007

This year's MatCalc course 'Thermodynamic and kinetic simulations with MatCalc' was held from 4th to 7th September in Graz at the Graz University of Technology. A group of 19 people from France, Italy, Germany and Austria were participating.

 

 

 

Time scedule of the this year's MatCalc training course:

Tuesday, Sept 4, 2007; 9:00 to 17:00

- Welcome, History, field of application …

- Introduction to MatCalc: GUI and first steps/calculations

- Theory: thermodynamic equilibrium, driving forces, databases, ...

 

Break

 

- Practical training: How to create a workspace, simple equilibrium calculations


Break

 

- Theory: thermodynamic equilibrium, driving forces, databases, ... (continued)

- Practical training: Stepped calculations, graphical representation of results, data export

 

Break

 

- Theory: thermodynamic equilibrium, driving forces, databases, ... (continued)

- Practical training: Calculation of Phase boundaries (‘How to find …’)

 

 

Wednesday, Sept 5, 2007; 9:00 to 17:00

- Practical training: Calculation of Phase diagrams (orthoequilibrium)

 

Break

 

- Theory: Ortho- and paraequilibrium

- Practical training: Calculation of Phase diagrams (paraequilibrium)

 

Break

 

- T0- temperature (theory and practice)

 

Break

 

- Scheil-Gulliver type calculations (theory and practice)

 

 

Thursday, Sept 6, 2007; 9:00 to 17:00

- Theory: Phase transformation and precipitation: Comparison of popular models (KJMA, parabolic growth, DICTRA, ...)


Break


- Practice: How to set up precipitation kinetics simulations (precipitation of cementite in ferrite)

 

Break

 

- Theory: Nucleation theory and implementation into MatCalc
- Practice: Changing nucleation conditions: Ortho- / paraequilibrium nucleus composition, nucleation sites, etc.

 

Break

 

- Using scripts in MatCalc (precipitation of cementite in ferrite)

 

Friday, Sept 7, 2007; 9:00 to 15:00

- Theory: Introduction to the SFFK Model: evolution equations
- Discussion of an example (scripts) to simulate a complex heat treatment for a high alloyed steel

 

Break

 

- Theory: Introduction to the SFFK Model: treatment of interfacial energies
- Calculation of TTP-diagrams (theory and example)

 

Break

 

- Calculation of TTP-diagrams (theory and example)
- Discussion / analysis of practical examples of users