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First-principles investigation of the site preference and alloying effect of Mo, Ta and platinum group metals in (Al, W)

✍ Scribed by Min Chen; Chong-Yu Wang


Book ID
113897724
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
325 KB
Volume
60
Category
Article
ISSN
1359-6462

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First-principles investigation of the st
✍ Lipeng Sun; Douglas L. Irving; Mohammed A. Zikry; D.W. Brenner πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 599 KB

Density functional theory was used to characterize the atomic structure and bonding of the Al | X interface in a Al-Cu-Mg-Ag alloy. The most stable interfacial structure was found to be connected by Al-Al bonds with a hexagonal Al lattice on the surface of the X phase sitting on the vacant hollow si