Revealing the Epitaxial Interface between Al13Fe4 and Al5Fe2 Enabling Atomic Al Interdiffusion - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue ACS Applied Materials & Interfaces Année : 2023

Revealing the Epitaxial Interface between Al13Fe4 and Al5Fe2 Enabling Atomic Al Interdiffusion

Corentin Chatelier
Marie-Cécile de Weerd
  • Fonction : Auteur
  • PersonId : 877005
Julian Ledieu
Vincent Fournée
Andrea Resta
Alina Vlad
Alessandro Coati
Connectez-vous pour contacter l'auteur
Émilie Gaudry
Connectez-vous pour contacter l'auteur

Résumé

Steel is the most commonly manufactured material in the world. Its performances can be improved by hot-dip coating with the low weight aluminum metal. The structure of the Al∥Fe interface, which is known to contain a buffer layer made of complex intermetallic compounds such as Al 5 Fe 2 and Al 13 Fe 4 , is crucial for the properties. On the basis of surface X-ray diffraction, combined with theoretical calculations, we derive in this work a consistent model at the atomic scale for the complex Al 13 Fe 4 (010)∥Al 5 Fe 2 (001) interface. The epitaxial relationships are found to be [130] Ald 5 Fed 2 ∥[010] Ald 13 Fed 4 and [1 1̅ 0] Ald 5 Fed 2 ∥[100] Ald 13 Fed 4. Interfacial and constrained energies, as well as works of adhesion, calculated for several structural models based on density functional theory, identify the lattice mismatch and the interfacial chemical composition as main factors for the stability of the interface. Molecular dynamics simulations suggest a mechanism of Al diffusion to explain the formation of the complex Al 13 Fe 4 and Al 5 Fe 2 phases at the Al∥Fe interface.
Fichier principal
Vignette du fichier
main-v4resub.pdf (37.24 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-04102028 , version 1 (13-10-2023)

Identifiants

Citer

Corentin Chatelier, Kanika Anand, Peter Gille, Marie-Cécile de Weerd, Julian Ledieu, et al.. Revealing the Epitaxial Interface between Al13Fe4 and Al5Fe2 Enabling Atomic Al Interdiffusion. ACS Applied Materials & Interfaces, 2023, 15 (15), pp.19593-19603. ⟨10.1021/acsami.2c22886⟩. ⟨hal-04102028⟩
31 Consultations
2 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More