CVM calculation of the b.c.c. Co–Cr–Al phase diagram

The cluster variation method (CVM) has been used as a tool for modelling the thermodynamics of the b.c.c. Co–Cr–Al system within the irregular tetrahedron approximation. The interaction parameters (nearest and next-nearest neighbour pairs, as well as tetrahedron interactions) for the three binary su...

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Bibliographic Details
Published in:Calphad 2003-09, Vol.27 (3), p.335-342
Main Authors: Eleno, Luiz Tadeu Fernandes, Geraldo Schön, Cláudio
Format: Article
Language:English
Subjects:
Chemical thermodynamics
Chemistry
Exact sciences and technology
General and physical chemistry
Metals and alloys
Order/disorder transformations
Ordering energies
Phase diagram prediction
Ternary alloy systems
Thermodynamic and thermochemical properties
Thermodynamic properties
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Summary:The cluster variation method (CVM) has been used as a tool for modelling the thermodynamics of the b.c.c. Co–Cr–Al system within the irregular tetrahedron approximation. The interaction parameters (nearest and next-nearest neighbour pairs, as well as tetrahedron interactions) for the three binary sub-systems have been derived following the so-called phenomenological approach, i.e. the interaction parameters have been fitted to experimental phase diagram and/or thermochemical data. As a result, the three binary phase diagrams of the system and four isothermal sections of the ternary phase diagram have been obtained. The results show that the CVM is thermodynamically self-consistent.
ISSN:0364-5916
1873-2984
DOI:10.1016/j.calphad.2003.11.003