铜
材料科学
电阻率和电导率
合金
电导率
相(物质)
固溶体
冶金
兴奋剂
复合材料
物理化学
化学
光电子学
电气工程
有机化学
工程类
作者
Cheng Li,Wei He,Zulai Li
出处
期刊:Vacuum
[Elsevier]
日期:2024-04-01
卷期号:222: 112973-112973
被引量:1
标识
DOI:10.1016/j.vacuum.2024.112973
摘要
In order to investigate the effects of matrix solid solution, precipitate phases, and microscale interfaces on the mechanical and electrical properties of copper alloys, we employed first-principles calculations based on density functional theory study aimed to understand how alloying elements enhance the strength and conductivity of copper. The results demonstrated that doping Co atoms into the copper matrix using the Dop2 structure model exhibited the most significant improvement in both mechanical and electrical properties. The Young's modulus was doubled compared to pure copper, and the hardness increased several times. The electrical conductivity reached 59.8 % of the International Annealed Copper Standard (IACS), showing a 6.6 % enhancement compared to Si doping. To validate computational results, we conducted experiments that confirmed the accuracy of the predicted mechanical and electrical properties. Furthermore, the introduction of Co effectively reduced electron losses at the interface between the precipitate phase and the copper matrix. The electron transmission rate through the Co2Si (211)/Cu (111) interface reached 78.6 %, representing a 94.1 % improvement compared to the Ni2Si (111)/Cu (111) interface. In conclusion, Co can simultaneously enhance the mechanical and electrical properties of Cu–Ni–Si alloys, providing theoretical guidance for the design and fabrication of high-strength and high-conductivity copper alloys.
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