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Thermodynamic properties and heat capacity of Ru metal in HCP, FCC, BCC and liquid state

✍ Scribed by Hong-jian PENG; Jiao-lian ZHOU; You-qing XIE


Book ID
117694099
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
992 KB
Volume
20
Category
Article
ISSN
1003-6326

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First-principles calculations of the str
✍ G. Ghosh; A. van de Walle; M. Asta πŸ“‚ Article πŸ“… 2008 πŸ› Elsevier Science 🌐 English βš– 971 KB

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