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Title: Discovery of a metastable Al20Sm4 phase

Journal Article · · Applied Physics Letters
DOI:https://doi.org/10.1063/1.4914399· OSTI ID:1227222
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  1. Ames Lab., Ames, IA (United States)
  2. Ames Lab., Ames, IA (United States); Univ. of Science and Technology of China, Anhui (China)
  3. Univ. of Science and Technology of China, Anhui (China)
  4. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States); Univ. of Science and Technology of China, Anhui (China)

In this study, we present an efficient genetic algorithm, integrated with experimental diffraction data, to solve a nanoscale metastable Al20Sm4 phase that evolves during crystallization of an amorphous magnetron sputtered Al90Sm10 alloy. The excellent match between calculated and experimental X-ray diffraction patterns confirms an accurate description of this metastable phase. Molecular dynamic simulations of crystal growth from the liquid phase predict the formation of disordered defects in the devitrified crystal.

Research Organization:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-06CH11357; AC02-07CH11358
OSTI ID:
1227222
Alternate ID(s):
OSTI ID: 1226718
Report Number(s):
IS-J-8578; APPLAB
Journal Information:
Applied Physics Letters, Vol. 106, Issue 10; ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 18 works
Citation information provided by
Web of Science

References (14)

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Mechanical properties of partially crystallized aluminum based amorphous alloys journal March 1999
Unique metallic glass formability and ultra-high tensile strength in AlNiFeGd alloys journal February 1993
Crystallization behavior of Al100 − xSmx (x = 8–14 at%) amorphous alloys journal June 1995
Initial crystallization in a nanostructured Al–Sm rare earth alloy journal June 2010
Recent progress in bulk glassy, nanoquasicrystalline and nanocrystalline alloys journal July 2004
Molecular Geometry Optimization with a Genetic Algorithm journal July 1995
Comparing efficiencies of genetic and minima hopping algorithms for crystal structure prediction journal January 2010
Ultrahigh-pressure phases of H 2 O ice predicted using an adaptive genetic algorithm journal December 2011
New Layered Structures of Cuprous Chalcogenides as Thin Film Solar Cell Materials: Cu 2 Te and Cu 2 Se journal October 2013
Discovery of a meta-stable Al–Sm phase with unknown stoichiometry using a genetic algorithm journal June 2014
A simple empirical N -body potential for transition metals journal July 1984
Development of interatomic potentials appropriate for simulation of devitrification of Al 90 Sm 10 alloy journal April 2015
Three-Dimensional Visualization in Powder Diffraction journal December 2007

Cited By (5)

Experimental Determination of the Allotropic Transition Temperature Between Tetragonal and Orthorhombic Al4Sm Metastable Phases journal January 2019
Observation of η-Al41Sm5 reveals motif-aware structural evolution in Al-Sm alloys journal April 2019
‘Crystal Genes’ in Metallic Liquids and Glasses journal March 2016
A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases journal January 2018
Structural hierarchy as a key to complex phase selection in Al-Sm journal October 2017

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