Morphology of WC grains in WC–Co alloys: Theoretical determination of grain shape |
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Affiliation: | 1. Materials Design, Inc., Angel Fire, New Mexico and Le Mans, France;2. Department of Applied Physics, Chalmers University of Technology, Sweden;3. Laboratoire de Thermodynamique et de physicochimie métallurgiques (UMR CNRS/INPG/UJF 5614), BP75, 38402, St-Martin d’Hères, France |
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Abstract: | 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. |
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