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First-principles calculations of finite-temperature elastic properties of Ti2AlX (X=C or N)

✍ Scribed by Duong, Thien Chi; Singh, Navdeep; Arróyave, Raymundo

Book ID
120544832
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
536 KB
Volume
79
Category
Article
ISSN
0927-0256

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✍ A. Djedid; S. Méçabih; O. Abbes; B. Abbar 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 513 KB

We have carried out a first-principles total-energy calculations of the structural and the electronic properties for the series of H-phases compounds Ti 2 AlC and Ti 2 AlN. We have applied the full-potential linearized augmented plane waves (FP-LAPW) method based on the density functional theory (DF