Computational Thermodynamics and Kinetics
Computational Thermodynamics
Computational Thermodynamics provides information on the phase equilibrium in alloys. The technique is based on the CALPHAD method. Calculations are performed with software for thermodynamic calculations, with relevant thermodynamic databases. The results of any calculation depends critically on the thermodynamic data that is used, and in many cases it is important to assess the reliability of underlying data (for example the available experimental data and the assessment procedure used in the development of the thermodynamic data). Databases for use in software for computational thermodynamics calculations are provied.
Computational Kinetics
Computational kinetics are applied to include the effect of time dependent processes in alloy and process development.
Examples of applications:
Precipitation processes, particle coarsening, micro-segregation on solidification, interface reaction in compound materials.
Material Types
Metallic materials, Steel, Hardmetals, Powder metallurgical materials.