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• W2560382284 abstract "Abstract We have calculated surface segregation energies of 41 impurities by means of density functional theory calculations. An interesting periodical variation tendency was found for surface segregation energies derived. For the majority of main group elements, segregation energies are negative which means solute elements enrichment at Al surface is energetically more favorable than uniformly dissolution. Half of transition elements possess positive segregation energies and the energies are sensitive to surface crystallographic orientations. A strong correlation is found between the segregation energies at the Al surface and the surface energ of solute elements." @default.
• W2560382284 created "2016-12-16" @default.
• W2560382284 creator A5001534809 @default.
• W2560382284 creator A5046253614 @default.
• W2560382284 date "2017-03-01" @default.
• W2560382284 modified "2023-09-24" @default.
• W2560382284 title "Ab-initio study of surface segregation in aluminum alloys" @default.
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• W2560382284 doi "https://doi.org/10.1016/j.apsusc.2016.12.055" @default.
• W2560382284 hasPublicationYear "2017" @default.
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