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

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.
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Publication Date:
OSTI Identifier:
Report Number(s):
IS-J 8327
Journal ID: ISSN 1359-6462
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Scripta Materialia; Journal Volume: 81
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
36 MATERIALS SCIENCE alloys, aluminum, bulk metallic glass, calculation, first-principles, genetic algorithm, melt spinning, total-energy calculations, transition, wave basis-set, x-ray diffraction