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Effects of alloying elements on elastic properties of Ni by first-principles calculations

โœ Scribed by DongEung Kim; Shun-Li Shang; Zi-Kui Liu


Book ID
116375474
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
649 KB
Volume
47
Category
Article
ISSN
0927-0256

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We employ all-electron full-potential linearized muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT) to calculate the equilibrium lattice parameters, five independent elastic constants and Debye temperature of LiBC. The equilibrium lattice parameters obtained are