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

Mikael Christensen ; Göran Wahnström (Institutionen för teknisk fysik, Material- och ytteori) ; S. Lay ; C.H. Allibert
Acta Mater. Vol. 55 (2007), p. 1515.
[Artikel, refereegranskad vetenskaplig]

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.

Nyckelord: Ab initio calculation; Interfaces; Cermets; Microstructure



Denna post skapades 2007-12-20.
CPL Pubid: 63589

 

Institutioner (Chalmers)

Institutionen för teknisk fysik, Material- och ytteori (1900-2015)

Ämnesområden

Den kondenserade materiens fysik

Chalmers infrastruktur