| DOI | Trouver le DOI : https://doi.org/10.1103/PhysRevB.73.140102 |
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| Auteur | Rechercher : Tse, John S.; Rechercher : Klug, Dennis D.1; Rechercher : Gao, Faming1 |
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| Affiliation | - Conseil national de recherches du Canada. Institut Steacie des sciences moléculaires du CNRC
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| Format | Texte, Article |
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| Sujet | ab initio calculations; diamond; hardness; nanostructured materials |
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| Résumé | The predicted static and dynamical properties of a recently reported 6H polymorph of diamond based on first-principles electronic structure calculations are reported. Although 6H diamond is less stable than the cubic 3C phase, it is found to exhibit similar mechanical properties. The hardness predicted using a semiempirical theory developed recently is found to be comparable to cubic diamond. This theory, extended to nanocrystals by including quantum confinement effects, elucidates the superhardness recently reported in nano 3C and 6H diamond crystallites that were shown to exceed that of the bulk diamond. The method provides a theoretical tool for the characterization and design of other nanohardened materials. |
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| Date de publication | 2006-04-24 |
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| Maison d’édition | American Physical Society |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Numéro NPARC | 12329023 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | 0a44cc34-993c-464f-8fda-9e84a7074992 |
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| Enregistrement créé | 2009-09-10 |
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| Enregistrement modifié | 2023-06-23 |
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