First Principle Calculation of Stabilities of Cu/γ-Al2O3 Composites Interfaces
Journal Title: 河南科技大学学报（自然科学版） - Year 2017, Vol 38, Issue 4
Abstract
The stability of interfaces between Cu and γ-Al2O3 was investigated by first principle calculation.The separation work of interfaces with the lower index crystal planes of copper and aluminum oxide was calculated, and then the most stable interface was decided. The calculation results were compared with the high resolution transmission electron microscopy observations. The results show that the Cu (011) /γ-Al2O3 (110) interface has the highest separation work and is the most stable. The values of first principle calculation are consistent with the experiment observations.
Authors and Affiliations
Tinghui CAO, Fengzhang REN, Jianghang YOU, Yi XIONG, Juanhua SU
Keywords
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