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• W3166133607 abstract "We recently proposed a new, low-energy atomic structure of the Al2CuLi (T1) phase using first-principles calculations based on density functional theory [Acta Mater. 145 (2018) 337-346]. Here, we refine the Li positions in the proposed T1 structure and find that the T1 phase has a tie-line with Al at finite-temperature by vibrational entropic stabilization on the Gibbs triangle of the ternary Al-Cu-Li system. We also derive a low-energy T1/Al coherent interfacial structure and find that Ag and Mg solutes are predicted to segregate to the coherent interface, which is in agreement with recent experimental observations by atom probe tomography." @default.
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• W3166133607 date "2021-09-01" @default.
• W3166133607 modified "2023-10-06" @default.
• W3166133607 title "First-principles Calculations of Bulk and Interfacial Thermodynamic Properties of the T1 phase in Al-Cu-Li alloys" @default.
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• W3166133607 doi "https://doi.org/10.1016/j.scriptamat.2021.114009" @default.
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