𝔖 Bobbio Scriptorium
✦   LIBER   ✦

First-Principles Study on the Stabilities of the Intermetallic Compounds in Mg-Nd Alloys

✍ Scribed by Wang Can; Han Peide; Zhang Lu; Zhang Caili; Xu Bingshe


Publisher
Elsevier
Year
2011
Weight
121 KB
Volume
40
Category
Article
ISSN
1875-5372

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


First-principles study of structural sta
✍ J.Z. Peng; Y.F. Wang; M.F. Gray πŸ“‚ Article πŸ“… 2008 πŸ› Elsevier Science 🌐 English βš– 243 KB

In this work, the structural stabilities and electronic properties of Mg-Nd intermetallic compounds were investigated using firstprinciples calculations based on density functional theory. The present results showed that lattice constants for all intermetallics considered are very close to the corre

Effect of alloying elements on the elast
✍ S. Ganeshan; S.L. Shang; Y. Wang; Z.-K. Liu πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 757 KB

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

First-principles study of the nucleation
✍ Z. Mao; W. Chen; D.N. Seidman; C. Wolverton πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 413 KB

First-principles density functional calculations are used to study the nucleation and stability of L1 2 -ordered precipitates in Al-Sc-Li alloys. For dilute Al alloys, there are three possible ordered L1 2 precipitates: Al 3 Sc, Al 3 Li and an Al 3 Sc/Al 3 Li core/shell structure. To calculate the n

The effect of alloying elements on the d
✍ Xiao-Xiang Yu; Chong-Yu Wang πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 568 KB

By using density functional theory calculations in conjunction with the climbing images nudged elastic band method, the effects of alloying elements Re, W, Mo, Cr, Co and Ru on the velocity of dislocation climbing in gamma Ni were studied. The results shed a light on the mechanism of these elements