Revisiting the Dissolution Behavior of Interfacial Oxides in Hot-Compression Bonding of a Fe-Cr-Ni Stainless Steel

Honglin Zhang, Gang Zhou, Ming-yue Sun, Bin Xu, Dianzhong Li, Yiyi Li
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Abstract

Interfacial oxides can be removed by thermodynamic decomposition in the metallic solid-state bonding. Despite adequate observations, the dissolution behavior is not yet well understood. Based on the hot-compression bonding experiments of a Fe-Cr-Ni stainless steel, first-principles calculations are adopted to reveal the diffusion of oxygen in the Cr2O3/FCC-Fe heterostructure to identify the dissolution process. The results show that the heterogeneous interface favors the formation of oxygen vacancies, and the oxygen prefers to diffuse through the facet of coordination tetrahedron of Cr atoms than their bridge-site. The dissolution of the oxides is dominated by the diffusion of dissociated oxygen to the interface due to its high activation energy of 720 kJ·mol-1, while the heterogeneous interface provides a favorable transport channel to allow the oxygen diffuse into iron matrix.
Fe-Cr-Ni不锈钢热压键合界面氧化物的溶解行为研究
在金属固相键合中,界面氧化物可通过热力学分解去除。尽管进行了充分的观察,但溶解行为尚未得到很好的理解。基于Fe-Cr-Ni不锈钢的热压结合实验,采用第一性原理计算揭示了氧在Cr2O3/FCC-Fe异质结构中的扩散,以确定其溶解过程。结果表明,非均相界面有利于氧空位的形成,并且氧更倾向于通过配位四面体的面而不是它们的桥位扩散。由于解离氧具有720 kJ·mol-1的高活化能,因此其溶解主要由向界面扩散的氧主导,而非均相界面为氧向铁基体扩散提供了有利的输运通道。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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