Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 1 de 1
Filtrar
Mais filtros

Base de dados
Ano de publicação
Tipo de documento
Intervalo de ano de publicação
1.
J Mol Model ; 27(3): 99, 2021 Mar 02.
Artigo em Inglês | MEDLINE | ID: mdl-33651175

RESUMO

The formation enthalpies and the dilute heats of HCP-HCP disordered binary alloys were evaluated by employing the improved ones of the modified analytic embedded atom method (EAM) potentials for HCP metals. We calculated the formation enthalpies according to the concentration of alloy elements for 36 kinds of HCP-HCP disordered binary alloys by using the modified ones of embedded atom method potentials for HCP metals proposed by Jin et al. (Appl. Phys. A120, 2015, 189), Johnson's alloy potential model, and Vegard's law. We derived the formulas to calculate the dilute heats of HCP-HCP binary alloys and evaluated the dilute heats for 56 kinds of HCP-HCP disordered binary alloys. The present results of the formation enthalpies and the dilute heats for HCP-HCP binary alloys are basically consistent with the experimental data, the first principle calculations, and the calculations by Miedema theory. Our results agree with the available experimental results better than the modified analytic EAM calculation results.

SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA