First-principles calculation on adhesions of Ni/Al2O3 and Ni/ZrO2 interfaces
β Scribed by Xiaoping Han; Yao Zhang; Huibin Xu
- Publisher
- Elsevier Science
- Year
- 2003
- Tongue
- English
- Weight
- 173 KB
- Volume
- 378
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
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 adhesive energies evidently range with the type of impurities. The effects of S impurities on the adhesion of the Ni/ZrO 2 interface are very slight. For the two interfaces considered, both interstitial and substitutional S impurities will increase their equilibrium interfacial distances.
π SIMILAR VOLUMES
The effect of AI additions on the wetting and adhesion of Ni on an ~-AI20a single crystal was studied. Contact angles were measured by the sessile drop technique under vacuum or in He atmosphere. The morphological and chemical features of metal-vapour and metal-oxide interfaces were determined by sc