First-principles Calculations of Bulk and Interfacial Thermodynamic Properties of the T1 phase in Al-Cu-Li alloys
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DOI: 10.1016/j.scriptamat.2021.114009
Abstract: 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… read more here.
Keywords: principles calculations; interfacial thermodynamic; first principles; bulk interfacial ... See more keywords