کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1594889 | 1515659 | 2010 | 4 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Mechanical properties of vanadium carbide and a ternary vanadium tungsten carbide Mechanical properties of vanadium carbide and a ternary vanadium tungsten carbide](/preview/png/1594889.png)
Ab initio total energy calculations are performed on non-stoichiometric vanadium carbide with supercells representing vacancy concentrations of V C0.875 and V C0.75. The V C0.875 supercell retains a cubic symmetry whilst in the case of the V C0.75 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.
Journal: Solid State Communications - Volume 150, Issues 15–16, April 2010, Pages 697–700