Ab intio study of inhibitors influence on growth of WC crystallites in WC/Co hard alloys
Source abstract
Abstract
Abstract The density functional theory and pseudopotential method are used to study the energy barrier for migration of W and C atoms from one carbide grain to another through the cobalt binder. Calculations show that the pair WC migration is more preferable energetically than the separate migration of W and C atoms. Addition of metals (V, Cr, Ti) which segregate at the WC–Co interface, increases the energy barrier for the WC migration decreasing the WC flow responsible for growth of carbide grains. Vanadium was considered the most effective inhibitor of all atoms studied, titanium has proved as the worst one.
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