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A theoretical model for site preference of transition metal solutes in Fe3Si

โœ Scribed by A.C. Swintendick

Book ID
118361472
Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
493 KB
Volume
19
Category
Article
ISSN
0038-1098

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Site preference of transition-metal elem
Site preference of transition-metal elements in B2 NiAl: A comprehensive study
โœ Chao Jiang ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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