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

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.

doi:10.1038/s41598-019-43079-9

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

Authors:

^[1]; Meng, F. ^[1]; Zhang, F. ^[1];

^[2]; Yang, L. ^[1]; Zhou, S. H. ^[1]; Napolitano, R. E. ^[3]; Mendelev, M. I. ^[1]; Ott, R. T. ^[1];

^[1]; Wang, C. Z. ^[1]; Ho, K. M. ^[4]

Ames Lab., Ames, IA (United States)
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
Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Materials Science and Engineering
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:: Tue Apr 30 00:00:00 EDT 2019

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Ames Lab., 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.

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                    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.  https://doi.org/10.1038/s41598-019-43079-9

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                    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.  https://doi.org/10.1038/s41598-019-43079-9.  https://www.osti.gov/servlets/purl/1542879.

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@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 = {},

  doi          = {10.1038/s41598-019-43079-9},

  journal      = {Scientific Reports},

  number       = 1,

  volume       = 9,

  place        = {United States},

  year         = {Tue Apr 30 00:00:00 EDT 2019},

  month        = {Tue Apr 30 00:00:00 EDT 2019}

}

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https://doi.org/10.1038/s41598-019-43079-9

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Figure 1: XRD patterns where (a) the unknown phase begins to appear, and (b) the unknown phase grows after an isothermal hold. Inset of (a): Amplified view of the low Q region, showing the peaks of the unknown phase. Black lines show the XRD pattern, while red lines show themore »

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

Citation Formats

Figures / Tables:

‘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

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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

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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

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

‘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
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Structural hierarchy as a key to complex phase selection in Al-Sm
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Discovery of a metastable Al20Sm4 phase
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Three-Dimensional Visualization in Powder Diffraction
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Initial crystallization in a nanostructured Al–Sm rare earth alloy
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Crystallization behaviour of AlSm amorphous alloys
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First principles phonon calculations in materials science
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From ultrasoft pseudopotentials to the projector augmented-wave method
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Fast Parallel Algorithms for Short-Range Molecular Dynamics
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