Discovery of a metastable Al20Sm4 phase

Ye, Z.; Zhang, F.; Sun, Y.; Mendelev, M. I.; Ott, R. T.; Park, E.; Besser, M. F.; Kramer, M. J.; Ding, Z.; Wang, C. -Z.; Ho, K. -M.

doi:10.1063/1.4914399

Title: Discovery of a metastable Al₂₀Sm₄ phase

Abstract

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.

Authors:

Ye, Z. ^[1]; Zhang, F. ^[1]; Sun, Y. ^[2]; Mendelev, M. I. ^[1]; Ott, R. T. ^[1];

^[1]; Besser, M. F. ^[1]; Kramer, M. J. ^[1]; Ding, Z. ^[3]; 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, Anhui (China)
Univ. of Science and Technology of China, Anhui (China)
Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States); Univ. of Science and Technology of China, Anhui (China)

Publication Date:: Mon Mar 09 00:00:00 EDT 2015

Research Org.:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1227222

Alternate Identifier(s):: OSTI ID: 1226718

Report Number(s):: IS-J-8578
Journal ID: ISSN 0003-6951; APPLAB

Grant/Contract Number:: AC02-06CH11357; AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: Applied Physics Letters

Additional Journal Information:: Journal Volume: 106; Journal Issue: 10; Journal ID: ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; aluminum; crystal structure; X-ray diffraction; crystal defects; Rietveld refinement

Citation Formats


                    Ye, Z., Zhang, F., Sun, Y., Mendelev, M. I., Ott, R. T., Park, E., Besser, M. F., Kramer, M. J., Ding, Z., Wang, C. -Z., and Ho, K. -M. Discovery of a metastable Al20Sm4 phase.  United States: N. p., 2015. 
Web.  doi:10.1063/1.4914399.

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                    Ye, Z., Zhang, F., Sun, Y., Mendelev, M. I., Ott, R. T., Park, E., Besser, M. F., Kramer, M. J., Ding, Z., Wang, C. -Z., & Ho, K. -M. Discovery of a metastable Al20Sm4 phase.  United States.  https://doi.org/10.1063/1.4914399

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                    Ye, Z., Zhang, F., Sun, Y., Mendelev, M. I., Ott, R. T., Park, E., Besser, M. F., Kramer, M. J., Ding, Z., Wang, C. -Z., and Ho, K. -M. Mon .  
"Discovery of a metastable Al20Sm4 phase".  United States.  https://doi.org/10.1063/1.4914399.  https://www.osti.gov/servlets/purl/1227222.

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@article{osti_1227222,

  title        = {Discovery of a metastable Al20Sm4 phase},

  author       = {Ye, Z. and Zhang, F. and Sun, Y. and Mendelev, M. I. and Ott, R. T. and Park, E. and Besser, M. F. and Kramer, M. J. and Ding, Z. and Wang, C. -Z. and Ho, K. -M.},

  abstractNote = {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.},

  doi          = {10.1063/1.4914399},

  journal      = {Applied Physics Letters},

  number       = 10,

  volume       = 106,

  place        = {United States},

  year         = {Mon Mar 09 00:00:00 EDT 2015},

  month        = {Mon Mar 09 00:00:00 EDT 2015}

}

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Works referenced in this record:

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Nanostructured Materials, Vol. 11, Issue 2
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Unique metallic glass formability and ultra-high tensile strength in AlNiFeGd alloys
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He, Y.; Dougherty, G. M.; Shiflet, G. J.
Acta Metallurgica et Materialia, Vol. 41, Issue 2
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Crystallization behavior of Al100 − xSmx (x = 8–14 at%) amorphous alloys
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Guo, J. Q.; Ohtera, K.; Kita, K.
Materials Letters, Vol. 24, Issue 1-3
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Initial crystallization in a nanostructured Al–Sm rare earth alloy
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Kalay, Y. E.; Yeager, C.; Chumbley, L. S.
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Ji, Min; Wang, Cai-Zhuang; Ho, Kai-Ming
Physical Chemistry Chemical Physics, Vol. 12, Issue 37
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Ultrahigh-pressure phases of H $_{2}$ O ice predicted using an adaptive genetic algorithm
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Ji, Min; Umemoto, Koichiro; Wang, Cai-Zhuang
Physical Review B, Vol. 84, Issue 22
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New Layered Structures of Cuprous Chalcogenides as Thin Film Solar Cell Materials: ${Cu}_{2} Te$ and ${Cu}_{2} Se$
journal, October 2013

Nguyen, Manh Cuong; Choi, Jin-Ho; Zhao, Xin
Physical Review Letters, Vol. 111, Issue 16
DOI: 10.1103/PhysRevLett.111.165502

Discovery of a meta-stable Al–Sm phase with unknown stoichiometry using a genetic algorithm
journal, June 2014

Zhang, Feng; McBrearty, Ian; Ott, R. T.
Scripta Materialia, Vol. 81
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A simple empirical N -body potential for transition metals
journal, July 1984

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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
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Three-Dimensional Visualization in Powder Diffraction
journal, December 2007

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Works referencing / citing this record:

Experimental Determination of the Allotropic Transition Temperature Between Tetragonal and Orthorhombic Al4Sm Metastable Phases
journal, January 2019

Napolitano, R. E.; Zhou, S. H.; Yang, X.
Metallurgical and Materials Transactions A, Vol. 50, Issue 3
DOI: 10.1007/s11661-018-5064-7

Observation of η-Al41Sm5 reveals motif-aware structural evolution in Al-Sm alloys
journal, April 2019

Ye, Z.; Meng, F.; Zhang, F.
Scientific Reports, Vol. 9, Issue 1
DOI: 10.1038/s41598-019-43079-9

‘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

A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases
journal, January 2018

Lv, Xiaobao; Ye, Zhuo; Sun, Yang
Philosophical Magazine Letters, Vol. 98, Issue 1
DOI: 10.1080/09500839.2018.1447157

Structural hierarchy as a key to complex phase selection in Al-Sm
journal, October 2017

Ye, Z.; Zhang, F.; Sun, Y.
Physical Review Materials, Vol. 1, Issue 5
DOI: 10.1103/physrevmaterials.1.055601

‘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

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Similar Records

Title: Discovery of a metastable Al20Sm4 phase

Abstract

Citation Formats

Synthesis and Properties of Metallic Glasses That Contain Aluminum journal, September 1988

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

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

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

Title: Discovery of a metastable Al₂₀Sm₄ phase

Synthesis and Properties of Metallic Glasses That Contain Aluminum
journal, September 1988

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

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

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