MatCalc Basic Thermokinetic Simulations

This 4-days course gives an introduction to modeling and simulation of stable and metastable phase equilibria and the kinetics of phase transformations in solid-state materials. It covers basic equilibrium thermodynamics and precipitation kinetics modeling, discussing both the theoretical approaches as well as practical examples. Approximately 50% of the time is spend directly on the computer to solve typical examples of phase stability, microstructure evolution and precipitation kinetics. The computational exercises are carried out with the software MatCalc.

For successful attendance of this course, basic knowledge in the fields of solution thermodynamics, diffusional phase transformations and precipitation is advantageous, but not required.

Final Degree

Certificate of attendance granted by TU Wien

Language of Instruction

English

Duration/Location

August, 08 - 11 (Tue - Fri), 2023

Getreidemarkt 9,1060 Vienna,        
Building BD, 7th floor, BD07B33

Application Deadline

July 24, 2023

Academic Director

Univ.Prof. Dr. Ernst Kozeschnik

Additional Information

www.matcalc.at, öffnet eine externe URL in einem neuen Fenster (section Training Courses)

Program

1st day

  • Welcome
  • Introduction in MatCalc: GUI and first steps
  • Theory: thermodynamic equilibrium, driving forces, databases, ...
  • Practical training: How to create a workspace, simple equilibrium calculations, stepped calculations ... 
  • Practical training: Graphical representation of results, data export, ...

2nd day

  • Scheil-Gulliver type calculations (theory and practice)
  • T0- temperature (theory and practice)
  • Using scripts in MatCalc (examples)
  • Theory: Phase transformation and precipitation: Comparison of popular models (KJMA, parabolic growth, DICTRA, ...)
  • Practice: How to set up precipitation kinetics simulations
  • Theory: Introduction to the SFFK Model 

3rd day 

  • Theory: Nucleation theory and implementation into MatCalc
  • Practice: Changing nucleation conditions: Ortho- / paraequilibrium nucleus composition, nucleation sites, etc.
  • Theory: Treatment of interfacial energies.
  • Theory and practice: Grain boundary precipitation versus random distribution: the importance of the correct diffusion field geometry
  • Examples

4th day

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

Target Group

Materials Scientists, Physicists, Chemists from research and academia working on the modeling and simulation of phase equilibria and phase transformations / precipitation kinetics in solid-state materials.

Course fee

EUR 1.250.- (free of VAT)