skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

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. 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.

Authors:
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
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE
OSTI Identifier:
1542879
Alternate Identifier(s):
OSTI ID: 1514869; OSTI ID: 1515002
Report Number(s):
IS-J-9813; IS-J-9828
Journal ID: ISSN 2045-2322
Grant/Contract Number:  
AC02-07CH11358; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Ye, Z., Meng, F., Zhang, F., Sun, Y., Yang, L., Zhou, S. H., Napolitano, R. E., Mendelev, M. I., Ott, R. T., Kramer, M. J., Wang, C. Z., and Ho, K. M. Observation of η-Al41Sm5 reveals motif-aware structural evolution in Al-Sm alloys. United States: N. p., 2019. Web. doi:10.1038/s41598-019-43079-9.
Ye, Z., Meng, F., Zhang, F., Sun, Y., Yang, L., Zhou, S. H., Napolitano, R. E., Mendelev, M. I., Ott, R. T., Kramer, M. J., Wang, C. Z., & Ho, K. M. Observation of η-Al41Sm5 reveals motif-aware structural evolution in Al-Sm alloys. United States. doi:10.1038/s41598-019-43079-9.
Ye, Z., Meng, F., Zhang, F., Sun, Y., Yang, L., Zhou, S. H., Napolitano, R. E., Mendelev, M. I., Ott, R. T., Kramer, M. J., Wang, C. Z., and Ho, K. M. Tue . "Observation of η-Al41Sm5 reveals motif-aware structural evolution in Al-Sm alloys". United States. doi:10.1038/s41598-019-43079-9. https://www.osti.gov/servlets/purl/1542879.
@article{osti_1542879,
title = {Observation of η-Al41Sm5 reveals motif-aware structural evolution in Al-Sm alloys},
author = {Ye, Z. and Meng, F. and Zhang, F. and Sun, Y. and Yang, L. and Zhou, S. H. and Napolitano, R. E. and Mendelev, M. I. and Ott, R. T. and Kramer, M. J. and Wang, C. Z. and Ho, K. M.},
abstractNote = {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. 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.},
doi = {10.1038/s41598-019-43079-9},
journal = {Scientific Reports},
number = 1,
volume = 9,
place = {United States},
year = {2019},
month = {4}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

‘Crystal Genes’ in Metallic Liquids and Glasses
journal, March 2016

  • Sun, Yang; Zhang, Feng; Ye, Zhuo
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep23734

Unexpected short- and medium-range atomic structure of sputtered amorphous silicon upon thermal annealing
journal, November 2011

  • Haberl, B.; Bogle, S. N.; Li, T.
  • Journal of Applied Physics, Vol. 110, Issue 9
  • DOI: 10.1063/1.3658628

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Development of interatomic potentials appropriate for simulation of devitrification of Al 90 Sm 10 alloy
journal, April 2015

  • Mendelev, M. I.; Zhang, F.; Ye, Z.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 23, Issue 4
  • DOI: 10.1088/0965-0393/23/4/045013

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

  • Ye, Z.; Zhang, F.; Sun, Y.
  • Applied Physics Letters, Vol. 106, Issue 10
  • DOI: 10.1063/1.4914399

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