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首页> 外文期刊>Solid State Communications >Mechanical properties of vanadium carbide and a ternary vanadium tungsten carbide
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Mechanical properties of vanadium carbide and a ternary vanadium tungsten carbide

机译：Mechanical properties of vanadium carbide and a ternary vanadium tungsten carbide

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摘要

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.

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