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http://dspace1.univ-tlemcen.dz/handle/112/1808| Titre: | Effects of rhenium alloying on adhesion of Mo/HfC and Mo/ZrC interfaces: A first-principles study |
| Auteur(s): | SI ABDELKADER, H. FARAOUN, H. I. ESLING, C. |
| Mots-clés: | ab initio calculations adhesion ceramics density functional theory electronic density of states Fermi level hafnium compounds metal-insulator boundaries molybdenum molybdenum alloys rhenium alloys |
| Date de publication: | 15-aoû-2011 |
| Résumé: | Adhesion and electronic structure of Mo/HfC and Mo/ZrC interfaces with and without Re impurity are investigated using first-principles density functional calculations. For Re free interface, results show that Mo atoms bind preferentially on top of C atoms, forming covalent bonds. The presence of Re alloying at the interface improves the adhesion, but does not affect the nature of interfacial Mo-C bonds. |
| Description: | JOURNAL OF APPLIED PHYSICS, ISSN : 0021-8979, DOI: 10.1063/1.3624580, Issue : 4, Volume :110, pp. 44901-44906, 15 AOUT 2011. |
| URI/URL: | http://dspace.univ-tlemcen.dz/handle/112/1808 |
| ISSN: | 0021-8979 |
| Collection(s) : | Articles internationaux |
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| Fichier | Description | Taille | Format | |
|---|---|---|---|---|
| Effects-of-rhenium-alloying-on-adhesion-of-Mo-HfC-and-Mo-ZrC-interfaces.pdf | 13,81 kB | Adobe PDF | Voir/Ouvrir |
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