1MatCalc examples

The example documents of this sections are aimed at introducing you to typical simulation problems that can be solved with MatCalc. The examples demonstrate how these problems can be treated and which issues need to be accounted for to obtain reasonable simulation results.

If you are a newbie to MatCalc, you can benefit from this section because it also demonstrated the various simulation approaches that are implemented in MatCalc and how these are utilized to solve your problems. For practical use, we recommend, however, that you make yourself familiar also with the software using the tutorials.

The MatCalc examples provide complementary material to the How-To Manual. Typical examples of thermodynamic analysis, precipitation kinetics, long-range diffusion analysis, as well as Monte Carlo simulations are listed below. The following links will bring you to the example documents.

Equilibrium and non-equilibrium analysis

The examples provided in this section demonstrate the functionality of MatCalc for thermodynamic equilibrium analysis. The first examples demonstrate basic features and give instructions on how to perform typical calculations. These are the generation of stable and metastable phase fraction diagrams, as well as chemical driving forces. The later examples show how to use this module of MatCalc to retrieve estimates of how the microstructure of a material could look like and which precipitates one can expect to see in experiments. This type of analysis is often applied for temperature cycles with low to moderate temperature gradients.

  • E1 - Stable and meta-stable phase fraction diagram of Fe-C-Mn - Evaluate ortho-equilibrium and para-equilibrium phase fraction diagrams.
  • E20 - Thermodynamic equilibrium analysis for continuous casting simulation of micro-alloyed Fe-Al-C-N-Nb-Ti steel. This analysis is a recommended step before carrying out precipitation kinetics simulations in inhomogeneous, segregated primary solidification microstructure.

Multi-component multi-phase precipitation

The precipitation kinetics module of MatCalc provides a powerful means of evaluating the evolution of precipitates during thermal and thermo-mechanical treatment.

Microstructure - property relationship

In the following examples, the results of the precipitation kinetics simulations within MatCalc are used for predictions of mechanical properties of materials.

Long-range diffusion, and diffusion coupled with precipitation

These simulations provide some examples of the long-range diffusion and precipitation module of Matcalc (mc_sim). Try it out…

Single-phase problems

Diffusion in dispersed systems - Local equilibrium approach

Simultaneous long-range diffusion and precipitation

Moving phase boundary problems

These simulations use the moving phase boundary capabilities of MatCalc. They are presently limited to binary systems and local equilibrium at the phase boundary. It is more or less still research in progress in a rather early stage. Still, if you feel like, try it out…

  • M1 - Austenite to ferrite transformation during continuous cooling (Fe-C). Makes use of Local Equilibrium (LE) hypothesis.
  • M2 - Peritectic transformation in Fe-C. Makes use of Local Equilibrium (LE) hypothesis.
  • M5 - Austenite to ferrite transformation during continuous cooling (Fe-C-Mn). Makes use of Thermodynamic Extremal Principle (TEP).
  • M6 - Peritectic transformation in Fe-C-Mn. Makes use of Thermodynamic Extremal Principle (TEP).

Thermal simulations

'Thermal simulations' help files contain some examples of the thermal treatment module of Matcalc. Try it out…

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examples/index.txt · Last modified: 2019/12/04 14:24 by pwarczok
 
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