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