Titre :

Understanding phase equilibria in high-entropy alloys: II. Atomic-scale study of incorporation of metallic elements in Cr carbides – Application to equilibrium with AlCrFeMnMo

Auteur(s) :

Besson, Rémy [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]

Titre de la revue :

Journal of Alloys and Compounds

Numéro :

874

Pagination :

159959

Éditeur :

Elsevier

Date de publication :

2021-04-16

ISSN :

0925-8388

Mot(s)-clé(s) en anglais :

Density functional theory
Carbides
Phase equilibria
Multiprincipal metallic solid solutions

Discipline(s) HAL :

Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]
Chimie/Matériaux

Résumé en anglais : [en]

Using atomic-scale first-principles energy calculations, we describe a methodology allowing to investigate the effect of metallic elements in frequently encountered Cr23C6 carbides, and its application to the equilibrium ...
Lire la suite >Using atomic-scale first-principles energy calculations, we describe a methodology allowing to investigate the effect of metallic elements in frequently encountered Cr23C6 carbides, and its application to the equilibrium between Cr23C6 and AlCrFeMnMo high-entropy solid solutions. Our study reveals the importance of taking properly into account the effect of interstitial C in Cr23C6, since the latter is found to have a key-influence on the thermodynamics of the compound. Moreover, it emphasizes clear-cut trends as regards the propensity of the various metallic elements to penetrate the carbide. Finally, it illustrates the role of the chemical potentials in the high-entropy solid solution, since the latter are the key-quantities controlling the composition of Cr23C6. The tractability of the approach described here should allow easy applications to similar cases, including other chemically complex solid solutions, as well as various second-phase particles (carbides, nitrides, oxides, borides…) unavoidably formed during elaboration processes.Lire moins >

Langue :

Anglais

Comité de lecture :

Oui

Audience :

Internationale

Vulgarisation :

Non

Établissement(s) :

Université de Lille
CNRS
INRA
ENSCL

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Équipe(s) de recherche :

Métallurgie Physique et Génie des Matériaux

Date de dépôt :

2021-06-25T09:58:32Z
2021-06-28T07:31:21Z
2021-10-07T10:01:08Z