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http://dspace1.univ-tlemcen.dz/handle/112/1894| Titre: | Ab initio investigation of Al/Mo2B interfacial adhesion |
| Auteur(s): | Si Abdelkader, H Faraoun, HI |
| Mots-clés: | Ab initio calculations Adhesion Surface and interface Aluminum Molybdenum borides |
| Date de publication: | jan-2011 |
| Editeur: | University of Tlemcen |
| Résumé: | First-principles calculations were performed to study the adhesion and the interfacial electronic structure of aluminum/molybdenum semi-boride (Al/Mo2B) interface. The work of adhesion (Wad) was calculated for both terminations of the Mo2B surface and it was found that Mo-terminated has larger Wad than the B-terminated one. It was shown that interfacial Al and B atoms form polar covalent bonds, while bonding of interfacial Al and Mo atoms mainly presents metallic character. |
| Description: | Computational Materials Science, ISSN : 0927-0256, DOI : 10.1016/j.commatsci.2010.10.025, Issue : 3, Volume : 50, pp. 880–885, January 2011. |
| URI/URL: | http://dspace.univ-tlemcen.dz/handle/112/1894 |
| ISSN: | 0927-0256 |
| Collection(s) : | Articles internationaux |
Fichier(s) constituant ce document :
| Fichier | Description | Taille | Format | |
|---|---|---|---|---|
| Ab-initio-investigation-of-Al-Mo2B-interfacial-adhesion.pdf | 25,34 kB | Adobe PDF | Voir/Ouvrir |
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