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Title: Observation of η-Al41Sm5 reveals motif-aware structural evolution in Al-Sm alloys

Journal Article · · Scientific Reports
ORCiD logo [1];  [1];  [1]; ORCiD logo [2];  [1];  [1];  [3];  [1];  [1]; ORCiD logo [1];  [1];  [4]
  1. Ames Lab., Ames, IA (United States)
  2. Ames Lab., Ames, IA (United States); Univ. of Science and Technology of China, Hefei (China). Hefei National Lab. for Physical Sciences at the Microscale, Dept. of Physics
  3. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Materials Science and Engineering
  4. Ames Lab., Ames, IA (United States); Univ. of Science and Technology of China, Hefei (China). Hefei National Lab. for Physical Sciences at the Microscale, Dept. of Physics; Iowa State Univ., Ames, IA (United States). Dept. of Physics

Using an effective genetic algorithm, we uncover the structure of a metastable Al41Sm5 phase that supplements its family sharing similar short-range orders. The phase evolves upon heating an amorphous Al-9.7 at.% Sm ribbon, produced by melt-spinning. The dynamical phase selection is discussed with respect to the structural connections between the short-range packing motifs in the amorphous precursor and those observed in the selected phases. Furthermore, the phase elucidated here is one of several newly discovered large-unit-cell phases found to form during devitrification from the glass in this binary system, further illustrating the power and efficiency of our approach, the important role of structural hierarchy in phase selection, and the richness of the metastable phase landscape accessible from the glassy structure.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE
Grant/Contract Number:
AC02-07CH11358; AC02-06CH11357
OSTI ID:
1542879
Alternate ID(s):
OSTI ID: 1514869; OSTI ID: 1515002
Report Number(s):
IS-J-9813; IS-J-9828
Journal Information:
Scientific Reports, Vol. 9, Issue 1; ISSN 2045-2322
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

References (29)

‘Crystal Genes’ in Metallic Liquids and Glasses journal March 2016
Unexpected short- and medium-range atomic structure of sputtered amorphous silicon upon thermal annealing journal November 2011
Generalized Gradient Approximation Made Simple journal October 1996
Development of interatomic potentials appropriate for simulation of devitrification of Al 90 Sm 10 alloy journal April 2015
Nanoscale Structure and Structural Relaxation in Zr 50 Cu 45 Al 5 Bulk Metallic Glass journal May 2012
A simple empirical N -body potential for transition metals journal July 1984
Discovery of a meta-stable Al–Sm phase with unknown stoichiometry using a genetic algorithm journal June 2014
Crystallization behavior of Al100 − xSmx (x = 8–14 at%) amorphous alloys journal June 1995
Projector augmented-wave method journal December 1994
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Observation of the Role of Subcritical Nuclei in Crystallization of a Glassy Solid journal November 2009
Crystallization behavior in a highly driven marginal glass forming alloy journal May 2008
EXPGUI , a graphical user interface for GSAS journal April 2001
Structural hierarchy as a key to complex phase selection in Al-Sm journal October 2017
Discovery of a metastable Al20Sm4 phase journal March 2015
Three-Dimensional Visualization in Powder Diffraction journal December 2007
Initial crystallization in a nanostructured Al–Sm rare earth alloy journal June 2010
Crystallization behaviour of AlSm amorphous alloys journal May 1994
First principles phonon calculations in materials science journal November 2015
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Fast Parallel Algorithms for Short-Range Molecular Dynamics journal March 1995
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
Phase selection in Al–TM–RE alloys: nanocrystalline Al versus intermetallics journal May 2001
Al-Sm (Aluminum-Samarium) journal March 2012
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets journal May 2021
High-resolution X-ray luminescence extension imaging journal February 2021
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect journal February 2020
Al-Sm (Aluminum-Samarium) journal February 2008
First principles phonon calculations in materials science preprint January 2015

Figures / Tables (8)