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Structural properties of BCC and FCC iron: LMTO-ASA-Stoner calculations

✍ Scribed by Genrich L. Krasko


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
439 KB
Volume
70
Category
Article
ISSN
0038-1098

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The thermodynamic properties of solid solutions with body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) structures in the Al-TM (TM = Ti, Zr and Hf) systems are calculated from first-principles using cluster expansion (CE), Monte-Carlo simulation and supercell meth