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• W637665747 abstract "Abstract Using the evolutionary optimization algorithm, as implemented in the USPEX crystal predictor program and first principles total energy calculations, the compositional phase diagrams for Al-Sc and Al-Ta alloy systems at zero temperature and pressure have been calculated. In addition to the known binary intermetallic phases, new potentially stable alloys, AlSc 3 and AlTa 7 , have been identified in the Al-poor region of the phase diagram. The dynamic and thermal stability of their lattices has been confirmed from the calculated vibrational normal mode spectra in the harmonic approximation." @default.
• W637665747 created "2016-06-24" @default.
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• W637665747 date "2015-05-07" @default.
• W637665747 modified "2023-10-07" @default.
• W637665747 title "Prediction of novel alloy phases of Al with Sc or Ta" @default.
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• W637665747 doi "https://doi.org/10.1038/srep09909" @default.
• W637665747 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4423498" @default.
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• W637665747 hasPublicationYear "2015" @default.
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