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First-principles study on the adhesion nature of the α-Al 2 O 3 (0001)/Ni(111) interface

✍ Scribed by Shi, Siqi; Tanaka, Shingo; Kohyama, Masanori


Book ID
126305969
Publisher
Institute of Physics
Year
2006
Tongue
English
Weight
489 KB
Volume
14
Category
Article
ISSN
0965-0393

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First-principles calculation on adhesion
✍ Xiaoping Han; Yao Zhang; Huibin Xu 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 173 KB

The effects of S impurities, both interstitial and substitutional, on adhesions at Al 2 O 3 /Ni and ZrO 2 /Ni interfaces were investigated with the first-principles method. The effects of S impurities on the adhesion of the Ni/Al 2 O 3 interfaces are quite obvious, and changes in equilibrium adhesiv