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Discovery of a meta-stable Al-Sm phase with unknown stoichiometry using a genetic algorithm

TitleDiscovery of a meta-stable Al-Sm phase with unknown stoichiometry using a genetic algorithm
Publication TypeJournal Article
Year of Publication2014
AuthorsZhang, F, McBrearty, I, Ott, RT, Park, E, Mendelev, MI, Kramer, MJ, Wang, CZ, Ho, KM
JournalScripta Materialia
Volume81
Pagination32-35
Date Published06
Type of ArticleArticle
ISBN Number1359-6462
Accession NumberWOS:000335622900009
Keywordsalloys, aluminum, Bulk metallic glass, calculation, First-principles, Genetic algorithm, Melt spinning, total-energy calculations, transition, wave basis-set, X-ray diffraction
Abstract

Unknown crystalline phases observed during the devitrification process of glassy metal alloys significantly limit our ability to understand and control phase selection in these systems driven far from equilibrium. Here, we report a new meta-stable Al5Sm phase identified by simultaneously searching Al-rich compositions of the Al-Sm system, using an efficient genetic algorithm. The excellent match between calculated and experimental X-ray diffraction patterns confirms that this new phase appeared in the crystallization of melt-spun Al90Sm10 alloys. Published by Elsevier Ltd. on behalf of Acta Materialia Inc.

DOI10.1016/j.scriptamat.2014.02.019
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Structures and Dynamics