Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1601551 | Intermetallics | 2009 | 8 Pages |
Abstract
An energetics database of binary magnesium compounds has been developed from first-principles calculations. The systems investigated include Mg–X (X = As, Ba, Ca, Cd, Cu, Dy, Ga, Ge, La, Lu, Ni, Pb, Sb, Si, Sn and Y). The calculated lattice parameters and enthalpies of formation of binary compounds in these systems are compared with both experimental data and thermodynamic databases.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Hui Zhang, Shunli Shang, James E. Saal, Arkapol Saengdeejing, Yi Wang, Long-Qing Chen, Zi-Kui Liu,