Effects of alloying elements on elastic properties of Ni by first-principles calculations
โ 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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๐ SIMILAR VOLUMES
The influence of different alloying elements on the lattice parameters and elastic properties of Mg solid solution has been studied using first-principles calculations within the generalized gradient approximation. The solute atoms employed herein are Al, Ba, Ca, Cu, -Ge, K, Li, Ni, Pb, Si, Y and Zn
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