During operation in environments containing hydrogen sulfide (H2S), such as in offshore and coastal environments, sintered nanoCu in power electronics is susceptible to degradation caused by corrosion. In this study, experimental and molecular dynamics (MD) simulation analyses were conducted to investigate the evolution and mechanism of H2S-induced corrosion of sintered nanoCu, and bulk Cu was used as the reference. The following results are obtained: (1) Both sintered nanoCu and bulk Cu reacted with O2 prior to reacting with H2S, forming Cu2O, Cu2S, CuO, and CuS. In addition, sintered nanoCu exhibited more severe corrosion. (2) For both sintered nanoCu and bulk Cu, H2S-induced corrosion resulted in the deterioration of electrical, thermal, and mechanical properties, and sintered nanoCu experienced a greater extent of deterioration. (3) As was ascertained through Reactive Force Field (ReaxFF) MD simulations, the penetration of H2S and O2 combined with the upward migration of Cu resulted in the formation of a corrosion film. In addition, compared to bulk Cu, the H2S and O2 penetration in the sintered nanoCu structure was observed to occur to a greater depth, accounting for the more pronounced performance degradation.

中文翻译：

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揭示电力电子封装中使用的烧结纳米铜互连的电-热-机械性能退化的硫化氢老化机制


在含有硫化氢 （H2S） 的环境中运行时，例如海上和沿海环境，电力电子设备中的烧结纳米铜容易因腐蚀而降解。本研究进行了实验和分子动力学 （MD） 模拟分析，研究了 H2S 诱导烧结纳米铜腐蚀的演变和机理，并以块体 Cu 为参考。得到以下结果：（1） 烧结的纳米铜和块体铜在与 H2S 反应之前都与 O2 反应，形成 Cu2O、Cu2S、CuO 和 CuS。此外，烧结纳米铜表现出更严重的腐蚀。（2） 对于烧结纳米铜和块状铜，H2S 诱导的腐蚀导致电、热和机械性能恶化，烧结纳米铜经历了更大程度的恶化。（3） 通过反作用力场 （ReaxFF） MD 模拟确定，H2S 和 O2 的渗透与 Cu 的向上迁移相结合，导致腐蚀膜的形成。此外，与块状 Cu 相比，观察到烧结纳米铜结构中的 H2S 和 O2 渗透发生在更深的地方，这是更明显的性能下降的原因。