Abstract: Based on the first-principles method, the interfacial adhesion work and fracture toughness of WC(0001)-Co, WC(0001)-Co/sGR and WC(0001)-Co/dGR crystalline phases were calculated. The results show that WC(0001)/Co(sGR) interface has the largest adhesion work of 6.355 1 J·m-2 in WC(0001)-Co/sGR and the maximum fracture toughness of 6.437 6 J·m-2 in WC phase, so the structure is the most stable and interface bonding properties is the best. The interfacial adhesion work of GR/GR in WC(0001)-Co/dGR is only 0.005 7 J·m-2, and fracture toughness of dGR phase is 0.006 4 J·m-2. The crack is most likely to be generated here. In order to verify results of interface bonding, the electronic structure and density of states of the three crystalline phases were analyzed. The results show that doping GR enhances charges distribution of atoms at the interface. W-Co has more charges transfer and attract, so bonding effect becomes enhanced. Compared with doped dGR, Co-C(sGR) bond after sGR doping is enhanced, so Co-C(sGR) bond is stronger than Co-C(dGR) bond. The sGR doping improves interface bonding properties of hard phase WC and binder phase Co in WC(0001)-Co cemented carbide.
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2020, Vol. 34 
