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

MatCalc Example Collection

A kind of How-To Manual. Typical examples of thermodynamic analysis, precipitation kinetics, diffusion, as well as Monte Carlo simulations.

Equilibrium calculations

'Equilibrium Calculations' help files contain some examples of the Equilibrium and non-equilibrium thermodynamics module of Matcalc. Try it out...

 

E1 - Thermodynamic equilibrium analysis of a steel Fe-Al-C-N-Nb (part 1, part 2, part 3, part 4, part 5)

E2 - ...

 


Multi-component multi-phase precipitation

The 'Precipitation Simulation' help files contain some examples of the Kinetic part of Matcalc. Try it out...

P1 - Ortho- and para-equilibrium precipitation in a Fe-Cr-C alloy

 

P5 - AlN and VN precipitation in low-alloy steel (scripts). Precipitation at grain boundaries and dislocations.

P5a - AlN precipitation in austenite (Leslie et al. Trans. ASM 46 (1954) 1470-97)

P5b - AlN precipitation in ferrite (V. Massardieret al. Mat. Sci. Eng. A 355 (2003) 299-310)

P5c - Concurrent precipitation of VN and AlN (P. König et al. Archiv für das Eisenhüttenwesen, 32(8) (1961) 541-556)

P5d - TTP diagram for AlN precipitation in austenite (R. Radis et al. Model. Simul. Mater. Sci. Eng. 18 (2010) 055003, 16 pages)

 

P8 - Continuous cooling of low-alloy steel (script). AlN precipitation at grain boundaries and dislocations, others on dislocations.

P8a - sample script for MatCalc 5.41: Precipitation in Fe-C-Mn-Si-Nb-Ti-Al-N-S system.

 


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...

 

D1 - Diffusion couple - carbon diffusion in austenite

D2 - Simple carburization treatment

D3 - The famous Darken uphill diffusion experiment

 

D6 - Simultaneous long-range diffusion and precipitation (local equilibrium approach)

 


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...

 

H1 - Heating a block of metal

H2 - Quenching a block of metal

H3 - Temperature profile in the Gleeble thermo-dynamical-testing machine