Phase stability, electronic, elastic and thermodynamic properties of Al-RE intermetallics in Mg-Al-RE alloy: A first principles study

Phase stability, electronic, elastic and thermodynamic properties of Al-RE intermetallics in Mg-Al-RE alloy: A first principles study

Electronic structure and elastic properties of Al2Y, Al3Y, Al2Gd and Al3Gd phases were investigated by means of first-principles calculations from CASTEP program based on density functional theory (DFT). The ground state energy and elastic constants of each phase were calculated, the formation entha...

Full description

Bibliographic Details
Main Authors: H.L. Chen, L. Lin, P.L. Mao, Z. Liu
Format: Article
Language:English
Published: KeAi Communications Co., Ltd. 2015-09-01
Series:Journal of Magnesium and Alloys
Subjects:
First-principles calculation
Phase stability
Electronic structure
Elastic properties
Thermodynamic properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2213956715000596

Internet

http://www.sciencedirect.com/science/article/pii/S2213956715000596

Similar Items