A computational study of thin cubic carbide films in WC/Co interfaces
Artikel i vetenskaplig tidskrift, 2011
We examine the propensity for the formation of thin films of cubic TiC, VC, CrC, ZrC, NbC, MoC, HfC, TaC and WC in the metal ceramic interface between simple hexagonal WC and Co using density functional theory Films of TiC, VC, CrC and MoC are predicted to be stable, of which VC and MoC show the strongest propensity for formation The results provide an explanation for the experimen tally observed WC grain growth inhibition effect and alteration of WC grain shape attained in VC-doped WC Co.
augmented-wave method
Cermets
cermets
grain shape
1st-principles
segregation
cr3c2
microscopy
Density functional
Interfaces
wc-co alloys
vanadium
Grain growth
vc
Författare
Sven Johansson
Chalmers, Teknisk fysik, Material- och ytteori
Göran Wahnström
Chalmers, Teknisk fysik, Material- och ytteori
Acta Materialia
1359-6454 (ISSN)
Vol. 59 1 171-181Styrkeområden
Nanovetenskap och nanoteknik
Materialvetenskap
Ämneskategorier
Materialteknik
DOI
10.1016/j.actamat.2010.09.021