调整氧气不纯度的结构和Cu/SiO2接口的粘附性质
Mengdie Lan1, Gaosheng Yan1, Wenshan Yu1
1State Key Laboratory for Strength and Vibration of Mechanical Structures, Shaanxi Engineering Laboratory for Vibration Control of Aerospace Structures, School of Aerospace Engineering, Xi'an Jiaotong University, Xi'an 710049, People's Republic of China.
ACS applied materials & interfaces
|April 20, 2024
概括
氧杂质通过破坏键,降低Cu/SiO2接口的强度. 在间隙部位引入氧气可以增强接口强度和附着性,改善材料在恶劣环境中的性能.
科学领域:
- 材料科学 材料科学 材料科学
- 表面科学是一门学科.
- 计算材料科学科学 计算材料科学
背景情况:
- /SiO2接口的特性在大气环境中降解,限制了工程应用.
- 由氧杂质造成的界面氧化会破坏结构并削弱界面.
研究的目的:
- 研究氧杂质对Cu/SiO2接口机械行为的影响.
- 探索增强Cu/SiO2接口的粘合性能和粘合力的方法.
主要方法:
- 使用了反应性分子动力学模拟.
- 在氧相互作用下分析界面结构,粘合和机械性能.
主要成果:
- 氧气的透破坏了接口,通过破坏Cu-O-Si键,降低了拉力和剪切强度.
- 在Cu间位点引入氧气形成O-Cu-O键,显著增强接口强度和保持结构.
- 接口氧化将故障点从氧化物内部转移到氧化物-接口.
结论:
- 氧杂质对Cu/SiO2接口有双重影响,在高度下降性能,但在战略性地引入时增强性能.
- 优化氧杂质的放置对于改善金属/氧化物接口的粘附性和机械稳定性至关重要.
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