title: Transformation of the θ-phase in Mg-Li-Al alloys: a density functional theory study.
abstract: In Mg-Li-Al alloys, θ-phase MgAlLi(2) is a strengthening and metastable phase which is liable to be transformed to the equilibrium phase AlLi on overaging. While the structural details of the θ-phase MgAlLi(2) and the microscopic transformation are still unknown. In this paper, the structure of MgAlLi(2) unit cell was determined through X-ray powder diffraction simulation. Microscopic transformation process of θ-phase MgAlLi(2) was discussed in detail using first principles method.
authors.affiliation: Key laboratory of Interface Science and Engineering in Advanced Materials, Ministry of Education, Taiyuan University of Technology, Taiyuan 030024, People's Republic of China.
authors.forename: Caili
authors.initials: C
authors.lastname: Zhang
authors.forename: Peide
authors.initials: P
authors.lastname: Han
authors.forename: Zhuxia
authors.initials: Z
authors.lastname: Zhang
authors.forename: Minghui
authors.initials: M
authors.lastname: Dong
authors.forename: Lili
authors.initials: L
authors.lastname: Zhang
authors.forename: Xiangyang
authors.initials: X
authors.lastname: Gu
authors.forename: Yanqing
authors.initials: Y
authors.lastname: Yang
authors.forename: Bingshe
authors.initials: B
authors.lastname: Xu
mesh_terms: D000497:Alloys / Q000737:chemistry*; D000535:Aluminum; D008094:Lithium; D008274:Magnesium; D008958:Models, Molecular; D015394:Molecular Structure; D011208:Powders; D014961:X-Ray Diffraction
chemical_list: D000497:Alloys; D011208:Powders; D008094:Lithium; D000535:Aluminum; D008274:Magnesium