Effects of Cu, Cu3Sn, Cu6Sn5 on Interfacial Properties between Cu-Sn Alloys and Diamond

The interfacial properties of the Cu-based intermetallic compounds and diamond abrasives remain a challenging task in fabricating high-performance Cu-based diamond-grinding wheels and, herein, the effects of Cu, Cu3Sn, and Cu6Sn5 on interfacial properties between Cu-Sn alloys and diamond (111) are aimed to be investigated. The stable three-layer slab models are established based on density-functional theory (DFT). The interface energy, electronic density, electronic localization function (ELF), and density of state (DOS) are calculated and analyzed. It is shown that Cu6Sn5 is a critical intermetallic compound to affect interfacial properties. The degree of hybridization of the Cu6Sn5 (100)/diamond (111) model is the strongest among all models, which leads to lower interface energy and better wettability. Herein, theoretical guidance for fabricating Cu-based diamond-grinding wheels by adjusting the sintering temperature and formula of the Cu-based binder to achieve the proper interface strength are provided.

Automated summary

In this study, the interfacial properties between Cu-Sn alloys and diamond surfaces were investigated using density-functional theory (DFT). The results showed that Cu6Sn5 is a crucial compound in determining the interfacial properties. Adjusting the formula and sintering temperature of the Cu-based binder can improve the interface strength.