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An ab initio study of the crystal structure of the Tau-phase in Al-Mg-Zn alloys
An ab initio study of the crystal structure of the Tau-phase in Al-Mg-Zn alloys
2009
Laalitha Liyanage
J. Houze
Sungho Kim
M.F. Horstemeyer
Seong-Gon Kim
Keywords:
Projector augmented wave method
Computational chemistry
Ab initio
Classical mechanics
Crystal structure
Bulk modulus
Chemistry
Density functional theory
Molecular physics
Materials science
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