Ternary Interaction Parameters in Calphad Solution Models

Autor(es)

Eleno, Luiz T. F. ^[1] ; Schoen, Claudio G. ^[2]

Afiliação do(s) autor(es)

^[1] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo - Brazil

^[2] Univ Sao Paulo, Dept Met & Mat Engn, Computat Mat Sci Lab, Escola Politecn, BR-05509900 Sao Paulo - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Brazilian Journal of Physics; v. 44, n. 2-3, p. 208-214, JUN 2014.
• Citações Web of Science: 2

Resumo

For random, diluted, multicomponent solutions, the excess chemical potentials can be expanded in power series of the composition, with coefficients that are pressure- and temperature-dependent. For a binary system, this approach is equivalent to using polynomial truncated expansions, such as the Redlich-Kister series for describing integral thermodynamic quantities. For ternary systems, an equivalent expansion of the excess chemical potentials clearly justifies the inclusion of ternary interaction parameters, which arise naturally in the form of correction terms in higher-order power expansions. To demonstrate this, we carry out truncated polynomial expansions of the excess chemical potential up to the sixth power of the composition variables. (AU)

• Processo FAPESP: 09/14532-9 - Modelamento termodinâmico dos sistemas quaternários Fe-Cr-Mo-C e Ni-Nb-Si-C
• Beneficiário: Luiz Tadeu Fernandes Eleno
• Modalidade de apoio: Bolsas no Brasil - Doutorado
• Processo FAPESP: 12/04023-2 - Diagrama de fases do sistema ternário Pb-Bi-Po (chumbo-bismuto-polônio) através de cálculos ab-initio
• Beneficiário: Luiz Tadeu Fernandes Eleno
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado