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Jingchao Wang Jianwu Yu Liang Huang Hong Luo Xiaopan Liu Zhentao Shang 《固体物理学:研究快报》2024,18(3):2300385
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. 相似文献
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