Morphology of WC grains in WC–Co alloys: Theoretical determination of grain shape

A theoretical approach to predict grain morphology from interface energies computed using density-functional theory is presented and applied to the WC–Co system. The dependences of the WC grain shape on the geometrical misfit at the Co/WC metal–ceramic interface, and on the carbon chemical potential...

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Bibliographic Details
Published in:Acta materialia 2007-03, Vol.55 (5), p.1515-1521
Main Authors: Christensen, M., Wahnström, G., Lay, S., Allibert, C.H.
Format: Article
Language:English
Subjects:
Ab initio calculation
Alloys
Applied sciences
Carbon
Cemented carbides
Cermets
Chemical and Process Engineering
Chemical Sciences
Cobalt
Engineering Sciences
Exact sciences and technology
Grains
Interfaces
Material chemistry
Metals. Metallurgy
Microstructure
Morphology
Prisms
Tungsten carbide
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Summary:A theoretical approach to predict grain morphology from interface energies computed using density-functional theory is presented and applied to the WC–Co system. The dependences of the WC grain shape on the geometrical misfit at the Co/WC metal–ceramic interface, and on the carbon chemical potential are investigated. The WC grains are predicted to be hexagonal when the interfaces are assumed to be coherent, and change to a truncated triangular shape where the long prism side lengths are five times longer than the short side lengths, when the interfaces are assumed to be incoherent.
ISSN:1359-6454
1873-2453
DOI:10.1016/j.actamat.2006.10.013