Modelling of phase diagrams and thermodynamic properties using Calphad method – Development of thermodynamic databases

0386269 - ÚFM 2013 RIV NL eng J - Journal Article
Kroupa, Aleš
Modelling of phase diagrams and thermodynamic properties using Calphad method – Development of thermodynamic databases.
Computational Materials Science. Roč. 66, JAN (2013), s. 3-13. ISSN 0927-0256. E-ISSN 1879-0801
R&D Projects: GA MŠMT(CZ) OC08053
Institutional support: RVO:68081723
Keywords : Calphad method * phase diagram modelling * thermodynamic database development
Subject RIV: BJ - Thermodynamics
Impact factor: 1.879, year: 2013

The Calphad method is very important method for the modelling of thermodynamic properties and phase diagrams of multicomponent systems. The method is based on a semi-empirical approach and sequential modelling from simpler to more complicated systems. Therefore reliable experimental data are necessary for the description of the thermodynamic and phase properties of unary and binary systems. Basic principles of the method will be described in this paper, especially from the point of view of preparing the reliable theoretical thermodynamic description of simpler systems, which allow reliable prediction and assessment of higher order systems. The thermodynamic data, describing assessed binary and ternary systems are collected in the form of the thermodynamic databases, which allow (together with proper software) the prediction of properties for multicomponent systems corresponding to real materials. The software packages, based on Calphad method, are currently the only theoretical tools, applicable for complex materials as steels, superalloys, etc.
Permanent Link: http://hdl.handle.net/11104/0215638