The effect of vanadium-carbon monolayer on the adsorption of tungsten and carbon atoms on tungsten-carbide (0001) surface

Science of Sintering

卷:43

关键词: sintering;    tungsten carbide;    vanadium carbide;    grain growth inhibition;   

DOI  :  10.2298/SOS1102153M

来源: DOAJ

【 摘 要 】

We report a first-principles calculations to study the effect of avanadium-carbon (VC) monolayer on the adsorption process of tungsten (W) andcarbon (C) atoms onto tungsten-carbide (WC) (0001) surface. The essentialconfiguration for the study is a supercell of hexagonal WC with a (0001)surface. When adding the VC monolayer, we employed the lowest energyconfiguration by examining various configurations. The total energy of thesystem is computed as a function of the W or C adatoms’ height from thesurface. The adsorption of a W and C adatom on a clean WC (0001) surface iscompared with that of a W and C adatom on a WC (0001) surface with VCmonolayer. The calculations show that the adsorption energy increased forboth W and C adatoms in presence of the VC monolayer. Our results provide afundamental understanding that can explain the experimentally observedphenomena of inhibited grain growth during sintering of WC or WC-Co powdersin presence of VC.

【 授权许可】

Unknown