| Texto completo | |
| Autor(es): |
Pereira dos Santos, Julio Cesar
[1]
;
Araujo Pinto da Silva, Antonio Augusto
[2]
;
Ferreira, Pedro Pires
[1]
;
Dorini, Thiago Trevizam
[3]
;
de Barros, Denis Felipe
[1]
;
de Abreu, Danilo Alencar
[1]
;
Fernandes Eleno, Luiz Tadeu
[1]
;
Nunes, Carlos Angelo
[1]
;
Coelho, Gilberto Carvalho
[1]
Número total de Autores: 9
|
| Afiliação do(s) autor(es): | [1] Univ Sao Paulo, Escola Engn Lorena EEL, Sao Paulo - Brazil
[2] Univ Fed Itajuba UNIFEI, Inst Engn Mecan IEM, Itajuba, MG - Brazil
[3] Univ Lorraine UL, Inst Jean Lamour IJL, CNRS, Nancy, Lorraine - France
Número total de Afiliações: 3
|
| Tipo de documento: | Artigo Científico |
| Fonte: | CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY; v. 74, SEP 2021. |
| Citações Web of Science: | 0 |
| Resumo | |
In the present work, the Al-Nb-V ternary system was thermodynamically modeled using the compound energy formalism (CEF) within the framework of the CALPHAD method and supported by ab initio calculations, which we report here for the first time. The thermodynamic descriptions of the Al-Nb, Al-V and Nb-V binary systems were taken from literature. Since it is not clear which is the best Al-V assessment available in the literature, three sets of thermodynamic parameters with three different thermodynamic descriptions of the Al-V system are proposed. End-member energies of Nb3Al and Nb2Al were obtained from first-principles electronic-structure calculations following the density functional theory (DFT). The optimized ternary parameters were based on experimental isothermal sections and liquidus projections data. The three sets of thermodynamic parameters show good agreement with experimental data. The new assessments successfully describe the miscibility gap between NbAl3 and VAl3 close to the Al-Nb system, the V solubility in Nb3Al, the tie-triangles Nb2Al-NbAl3-BCC and NbAl3-BCC-V5Al8, and the tie-lines between Nb3Al and BCC. In this sense, our work provides self-consistent thermodynamic descriptions of the Al-Nb-V system which can be used for the development of thermodynamic databases of higher order systems for refractory high-entropy alloys (RHEAs). (AU) | |
| Processo FAPESP: | 20/08258-0 - Estudo ab initio de sistemas supercondutores e topológicos |
| Beneficiário: | Pedro Nunes Ferreira |
| Modalidade de apoio: | Bolsas no Brasil - Doutorado |
| Processo FAPESP: | 17/14853-6 - Modelagem termodinâmica e experimentos críticos no sistema Al-Nb-V |
| Beneficiário: | Gilberto Carvalho Coelho |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |
| Processo FAPESP: | 18/13966-4 - Investigação experimental e modelagem termodinâmica do sistema Al-Nb-V |
| Beneficiário: | Júlio César Pereira dos Santos |
| Modalidade de apoio: | Bolsas no Brasil - Doutorado |