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Mechanical properties of vanadium carbide and a ternary vanadium tungsten carbide
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
2010 (English)In: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 150, no 15-16, 697-700 p.Article in journal (Refereed) Published
Abstract [en]

Ab initio total energy calculations are performed on non-stoichiometric vanadium carbide with supercells representing vacancy concentrations of VC0.875 and VC0.75. The VC0.875 supercell retains a cubic symmetry whilst in the case of the VC0.75 supercell C vacancies located in close proximity have the lowest energy configuration and the cubic lattice slightly distorts to a monoclinic symmetry. Using a stress strain calculational procedure, the elastic constants of both the cubic and the monoclinic systems are deduced. In all cases C vacancies decrease the elastic moduli. A similar analysis is then applied to consider when W is incorporated into VC. In this case it is found that the elastic moduli increase with W content suggesting that a V-W-C alloy could have significant potential as a novel hard material. (C) 2010 Elsevier Ltd. All rights reserved.

Place, publisher, year, edition, pages
2010. Vol. 150, no 15-16, 697-700 p.
Keyword [en]
Metals, Elasticity, Electronic band structure, Mechanical properties
National Category
Physical Sciences Engineering and Technology
Identifiers
URN: urn:nbn:se:uu:diva-136595DOI: 10.1016/j.ssc.2010.01.043ISI: 000276669300002OAI: oai:DiVA.org:uu-136595DiVA: diva2:377335
Available from: 2010-12-14 Created: 2010-12-13 Last updated: 2017-12-11Bibliographically approved

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Ahuja, Rajeev

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