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Effects of 3d Transition Metal Elements in the B2-FeAl Structure

✍ Scribed by P.-H. Chen; T. Tang; Y. Long


Book ID
107447135
Publisher
The Minerals, Metals & Materials Society
Year
2011
Tongue
English
Weight
645 KB
Volume
43
Category
Article
ISSN
1073-5623

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Site preference of transition-metal elem
✍ Chao Jiang πŸ“‚ Article πŸ“… 2007 πŸ› Elsevier Science 🌐 English βš– 614 KB

First-principles supercell calculations based on density functional theory were performed to study the T = 0 K site preference of 3d (Ti-Cu), 4d (Zr-Ag) and 5d (Hf-Au) transition-metal elements in B2 NiAl. By adopting a statistical-mechanical Wagner-Schottky model within the canonical ensemble, the