| Affiliation: | 1. National Engineering Research Center for High-Efficiency Grinding, Hunan University, Changsha, 410082 China;2. National Engineering Research Center for High-Efficiency Grinding, Hunan University, Changsha, 410082 China School of Mechanical Engineering, Hunan University of Technology, Zhuzhou, 412007 China;3. College of Mechanical and Electrical Engineering, Central South University of Forestry and Technology, Changsha, 410004 China;4. College of Materials Science and Engineering, Hunan University, Changsha, 410082 China |
| Abstract: | The modulation mechanism of iron (Fe) and manganese (Mn) in transition-metal elements on the interface bonding and mechanical properties of bronze (Cu3Sn)-based/diamond composites is investigated through first-principles calculations. Transition-elements-doping scenarios are investigated employing six-layer slab models. It is revealed that the doping of Fe or Mn can make the Cu3Sn/diamond interface more stable, which effectively improves the wettability of the Cu3Sn/diamond interface based on the calculation results and analysis of interface energy, differential charge density model, and density of states. However, co-doping with both Fe and Mn weakens the wettability of the Cu3Sn/diamond interface. Finally, wettability tests and microstructure characterizations demonstrate that the doping of Fe and Mn represents an effective approach to controlling the interface bonding performance of bronze/diamond composites. |
