Link between structural and mechanical stablility of fcc- and bcc-based ordered Mg-Li alloys

The first principles pseudopotential calculations based on the Perdew-Burke-Ernzerhof (PBE) form of generalized gradient approximation (GGA) within density functional theory (DFT) have been utilized to investigate the structural and elastic properties of cubic-based Mg-Li alloys. The heats of format...

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Hlavní autoři: Phasha, M, Ngoepe, P, Chauke, H, Pettifor, D, Nguyen-Mann, D
Médium: Journal article
Jazyk:English
Vydáno: Elsevier 2010
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