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Title: High-entropy functional materials

Abstract

While most papers on high-entropy alloys (HEAs) focus on the microstructure and mechanical properties for structural materials applications, there has been growing interest in developing high-entropy functional materials. The objective of this paper is to provide a brief, timely review on select functional properties of HEAs, including soft magnetic, magnetocaloric, physical, thermoelectric, superconducting, and hydrogen storage. Comparisons of functional properties between HEAs and conventional low- and medium-entropy materials are provided, and examples are illustrated using computational modeling and tuning the composition of existing functional materials through substitutional or interstitial mixing. Extending the concept of high configurational entropy to a wide range of materials such as intermetallics, ceramics, and semiconductors through the isostructural design approach is discussed. As a result, perspectives are offered in designing future high-performance functional materials utilizing the high-entropy concepts and high-throughput predictive computational modeling.

Authors:
 [1];  [2];  [3];  [4];  [4];  [3]
  1. National Energy Technology Lab. (NETL), Albany, OR (United States); AECOM, Albany, OR (United States)
  2. AF Research Lab, Wright-Patterson AFB, OH (United States)
  3. National Energy Technology Lab. (NETL), Albany, OR (United States)
  4. Univ. of Science and Technology Beijing, Beijing (People's Republic of China)
Publication Date:
Research Org.:
National Energy Technology Lab. (NETL), Albany, OR (United States)
Sponsoring Org.:
FE; USDOE
OSTI Identifier:
1509730
Grant/Contract Number:  
FE0004000
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Materials Research
Additional Journal Information:
Journal Volume: 33; Journal Issue: 19; Journal ID: ISSN 0884-2914
Publisher:
Materials Research Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Gao, Michael C., Miracle, Daniel B., Maurice, David, Yan, Xuehui, Zhang, Yong, and Hawk, Jeffrey A. High-entropy functional materials. United States: N. p., 2018. Web. doi:10.1557/jmr.2018.323.
Gao, Michael C., Miracle, Daniel B., Maurice, David, Yan, Xuehui, Zhang, Yong, & Hawk, Jeffrey A. High-entropy functional materials. United States. doi:10.1557/jmr.2018.323.
Gao, Michael C., Miracle, Daniel B., Maurice, David, Yan, Xuehui, Zhang, Yong, and Hawk, Jeffrey A. Thu . "High-entropy functional materials". United States. doi:10.1557/jmr.2018.323. https://www.osti.gov/servlets/purl/1509730.
@article{osti_1509730,
title = {High-entropy functional materials},
author = {Gao, Michael C. and Miracle, Daniel B. and Maurice, David and Yan, Xuehui and Zhang, Yong and Hawk, Jeffrey A.},
abstractNote = {While most papers on high-entropy alloys (HEAs) focus on the microstructure and mechanical properties for structural materials applications, there has been growing interest in developing high-entropy functional materials. The objective of this paper is to provide a brief, timely review on select functional properties of HEAs, including soft magnetic, magnetocaloric, physical, thermoelectric, superconducting, and hydrogen storage. Comparisons of functional properties between HEAs and conventional low- and medium-entropy materials are provided, and examples are illustrated using computational modeling and tuning the composition of existing functional materials through substitutional or interstitial mixing. Extending the concept of high configurational entropy to a wide range of materials such as intermetallics, ceramics, and semiconductors through the isostructural design approach is discussed. As a result, perspectives are offered in designing future high-performance functional materials utilizing the high-entropy concepts and high-throughput predictive computational modeling.},
doi = {10.1557/jmr.2018.323},
journal = {Journal of Materials Research},
number = 19,
volume = 33,
place = {United States},
year = {2018},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 18 works
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Figures / Tables:

Table I: Part 1 Table I: Part 1: Measured saturation magnetization (Ms, T) versus coercivity (Hc, A/m) for high entropy alloys reported in the literature.

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Works referenced in this record:

Hydrogen-induced nanohardness variations in a CoCrFeMnNi high-entropy alloy
journal, April 2017


Effect of substrate bias on the structure and properties of multi-element (AlCrTaTiZr)N coatings
journal, October 2006


Empirical Relation between Superconductivity and the Number of Valence Electrons per Atom
journal, January 1955


Valence Band Modification and High Thermoelectric Performance in SnTe Heavily Alloyed with MnTe
journal, August 2015

  • Tan, Gangjian; Shi, Fengyuan; Hao, Shiqiang
  • Journal of the American Chemical Society, Vol. 137, Issue 35
  • DOI: 10.1021/jacs.5b07284

Phase evolution and magnetic characteristics of TiFeNiCr and TiFeNiCrM (M = Mn, Co) high entropy alloys
journal, November 2017


Microstructural development in equiatomic multicomponent alloys
journal, July 2004


Ultralow Lattice Thermal Conductivity and Enhanced Thermoelectric Performance in SnTe:Ga Materials
journal, December 2016


The effects of phase constitution on magnetic and mechanical properties of FeCoNi(CuAl) (x = 0–1.2) high-entropy alloys
journal, February 2017


Processing effects on the magnetic and mechanical properties of FeCoNiAl0.2Si0.2 high entropy alloy
journal, June 2013

  • Zuo, Ting-ting; Ren, Song-bo; Liaw, Peter K.
  • International Journal of Minerals, Metallurgy, and Materials, Vol. 20, Issue 6
  • DOI: 10.1007/s12613-013-0764-x

A Combinatorial Approach to Materials Discovery
journal, June 1995


Resistance of CoCrFeMnNi high-entropy alloy to gaseous hydrogen embrittlement
journal, July 2017


Convergence of electronic bands for high performance bulk thermoelectrics
journal, May 2011

  • Pei, Yanzhong; Shi, Xiaoya; LaLonde, Aaron
  • Nature, Vol. 473, Issue 7345, p. 66-69
  • DOI: 10.1038/nature09996

Thermoelectric high-entropy alloys with low lattice thermal conductivity
journal, January 2016


Magnetic properties of the CrMnFeCoNi high-entropy alloy
journal, July 2017


Annealing on the structure and properties evolution of the CoCrFeNiCuAl high-entropy alloy
journal, July 2010


Electrical, magnetic, and Hall properties of AlxCoCrFeNi high-entropy alloys
journal, February 2011


Isoelectronic substitutions and aluminium alloying in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor
journal, March 2018


Superconductivity in "Amorphous" Transition-Metal Alloy Films
journal, January 1973


The Role of Compositional Tuning of the Distributed Exchange on Magnetocaloric Properties of High-Entropy Alloys
journal, August 2017


Applications of high throughput (combinatorial) methodologies to electronic, magnetic, optical, and energy-related materials
journal, June 2013

  • Green, Martin L.; Takeuchi, Ichiro; Hattrick-Simpers, Jason R.
  • Journal of Applied Physics, Vol. 113, Issue 23
  • DOI: 10.1063/1.4803530

Structure and magnetic properties of a multi-principal element Ni–Fe–Cr–Co–Zn–Mn alloy
journal, January 2016


Computational modeling of high-entropy alloys: Structures, thermodynamics and elasticity
journal, October 2017

  • Gao, Michael C.; Gao, Pan; Hawk, Jeffrey A.
  • Journal of Materials Research, Vol. 32, Issue 19
  • DOI: 10.1557/jmr.2017.366

Tunable magnetocaloric effect in transition metal alloys
journal, October 2015

  • Belyea, Dustin D.; Lucas, M. S.; Michel, E.
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep15755

Microstructure and hydrogen storage properties of a TiZrNbMoV high entropy alloy synthesized using Laser Engineered Net Shaping (LENS)
journal, June 2014


Development of vanadium based hydrogen storage material: A review
journal, May 2017


Tailoring magnetic behavior of CoFeMnNiX (X = Al, Cr, Ga, and Sn) high entropy alloys by metal doping
journal, May 2017


Superconductivity in thermally annealed Ta-Nb-Hf-Zr-Ti high-entropy alloys
journal, February 2017


Colossal dielectric constant in high entropy oxides
journal, March 2016

  • Bérardan, David; Franger, Sylvain; Dragoe, Diana
  • physica status solidi (RRL) - Rapid Research Letters, Vol. 10, Issue 4
  • DOI: 10.1002/pssr.201600043

Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomistic simulation study
journal, January 2018


Effects of Al and Si addition on the structure and properties of CoFeNi equal atomic ratio alloy
journal, December 2014


Thermodynamics of concentrated solid solution alloys
journal, October 2017


Hydrogen storage properties of multi-principal-component CoFeMnTixVyZrz alloys
journal, September 2010


Thermomagnetic analysis of FeCoCr x Ni alloys: Magnetic entropy of high-entropy alloys
journal, May 2013

  • Lucas, M. S.; Belyea, D.; Bauer, C.
  • Journal of Applied Physics, Vol. 113, Issue 17
  • DOI: 10.1063/1.4798340

Phase stability and distortion in high-entropy oxides
journal, March 2018


Alloy Design Strategies and Future Trends in High-Entropy Alloys
journal, October 2013


High-Entropy Alloys in Hexagonal Close-Packed Structure
journal, August 2015

  • Gao, M. C.; Zhang, B.; Guo, S. M.
  • Metallurgical and Materials Transactions A, Vol. 47, Issue 7
  • DOI: 10.1007/s11661-015-3091-1

Nanostructured thermoelectric materials: Current research and future challenge
journal, December 2012

  • Chen, Zhi-Gang; Han, Guang; Yang, Lei
  • Progress in Natural Science: Materials International, Vol. 22, Issue 6
  • DOI: 10.1016/j.pnsc.2012.11.011

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes
journal, May 2004

  • Yeh, J.-W.; Chen, S.-K.; Lin, S.-J.
  • Advanced Engineering Materials, Vol. 6, Issue 5, p. 299-303
  • DOI: 10.1002/adem.200300567

Robust zero resistance in a superconducting high-entropy alloy at pressures up to 190 GPa
journal, November 2017

  • Guo, Jing; Wang, Honghong; von Rohr, Fabian
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 50
  • DOI: 10.1073/pnas.1716981114

A new class of high-entropy perovskite oxides
journal, January 2018


Soft magnetic Fe 25 Co 25 Ni 25 (B, Si) 25 high entropy bulk metallic glasses
journal, November 2015


Alloy design for high-entropy alloys based on Pettifor map for binary compounds with 1:1 stoichiometry
journal, November 2015


Rare-earth high-entropy alloys with giant magnetocaloric effect
journal, February 2017


Mechanism of magnetic transition in FeCrCoNi-based high entropy alloys
journal, August 2016


Prediction of A2 to B2 Phase Transition in the High-Entropy Alloy Mo-Nb-Ta-W
journal, October 2013


Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity
journal, February 2016

  • Jin, K.; Sales, B. C.; Stocks, G. M.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep20159

Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys
journal, October 2015

  • Zhang, Yanwen; Stocks, G. Malcolm; Jin, Ke
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms9736

Soft Magnetic Properties of High-Entropy Fe-Co-Ni-Cr-Al-Si Thin Films
journal, August 2016

  • Lin, Pei-Chung; Cheng, Chun-Yang; Yeh, Jien-Wei
  • Entropy, Vol. 18, Issue 8
  • DOI: 10.3390/e18080308

Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor
journal, November 2016

  • von Rohr, Fabian; Winiarski, Michał J.; Tao, Jing
  • Proceedings of the National Academy of Sciences, Vol. 113, Issue 46
  • DOI: 10.1073/pnas.1615926113

Entropy as a Gene-Like Performance Indicator Promoting Thermoelectric Materials
journal, August 2017


High-Entropy Metal Diborides: A New Class of High-Entropy Materials and a New Type of Ultrahigh Temperature Ceramics
journal, November 2016

  • Gild, Joshua; Zhang, Yuanyao; Harrington, Tyler
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep37946

Electrochemical preparation and magnetic study of Bi–Fe–Co–Ni–Mn high entropy alloy
journal, November 2008


Magnetic Materials and Devices for the 21st Century: Stronger, Lighter, and More Energy Efficient
journal, December 2010

  • Gutfleisch, Oliver; Willard, Matthew A.; Brück, Ekkes
  • Advanced Materials, Vol. 23, Issue 7
  • DOI: 10.1002/adma.201002180

Nanocrystalline high-entropy alloys
journal, August 2017


Microstructures and hydrogen storage properties of La Ni Fe V Mn alloys
journal, November 2017


Recent Advances in Nanostructured Thermoelectric Half-Heusler Compounds
journal, November 2012

  • Xie, Wenjie; Weidenkaff, Anke; Tang, Xinfeng
  • Nanomaterials, Vol. 2, Issue 4
  • DOI: 10.3390/nano2040379

Effects of nitrogen content on structure and mechanical properties of multi-element (AlCrNbSiTiV)N coating
journal, March 2009


Effects of nitrogen flow ratio on the structure and properties of reactively sputtered (AlMoNbSiTaTiVZr)N x coatings
journal, November 2008


Modern soft magnets: Amorphous and nanocrystalline materials
journal, February 2013


Nanocrystalline multicomponent entropy stabilised transition metal oxides
journal, February 2017


Thermally stable amorphous (AlMoNbSiTaTiVZr)50N50 nitride film as diffusion barrier in copper metallization
journal, February 2008

  • Tsai, Ming-Hung; Wang, Chun-Wen; Lai, Chia-Han
  • Applied Physics Letters, Vol. 92, Issue 5
  • DOI: 10.1063/1.2841810

Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys
journal, April 2013


Structure and hydrogen storage properties of a high entropy ZrTiVCrFeNi alloy synthesized using Laser Engineered Net Shaping (LENS)
journal, September 2013


Corrosion-Resistant High-Entropy Alloys: A Review
journal, February 2017


Superior hydrogen storage in high entropy alloys
journal, November 2016

  • Sahlberg, Martin; Karlsson, Dennis; Zlotea, Claudia
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep36770

Hydrogen enhances strength and ductility of an equiatomic high-entropy alloy
journal, August 2017


Multicomponent equiatomic rare earth oxides
journal, August 2016


Effect of Nb addition on the microstructure and properties of AlCoCrFeNi high-entropy alloy
journal, January 2012


Mapping the world of complex concentrated alloys
journal, August 2017


Complex thermoelectric materials
journal, February 2008

  • Snyder, G. Jeffrey; Toberer, Eric S.
  • Nature Materials, Vol. 7, Issue 2, p. 105-114
  • DOI: 10.1038/nmat2090

“Treasure maps” for magnetic high-entropy-alloys from theory and experiment
journal, October 2015

  • Körmann, F.; Ma, D.; Belyea, D. D.
  • Applied Physics Letters, Vol. 107, Issue 14
  • DOI: 10.1063/1.4932571

Corrosion of high entropy alloys
journal, August 2017


Microstructures and properties of high-entropy alloys
journal, April 2014


Hybrid Monte Carlo/Molecular Dynamics Simulation of a Refractory Metal High Entropy Alloy
journal, October 2013

  • Widom, Michael; Huhn, W. P.; Maiti, S.
  • Metallurgical and Materials Transactions A, Vol. 45, Issue 1
  • DOI: 10.1007/s11661-013-2000-8

Band Engineering of Thermoelectric Materials
journal, October 2012


Microstructure and Magnetic Properties of FeNiCuMnTiSn x High Entropy Alloys
journal, August 2012

  • Liu, Liang; Zhu, Jian Bo; Li, Jian Chen
  • Advanced Engineering Materials, Vol. 14, Issue 10
  • DOI: 10.1002/adem.201200104

Influence of magnetic excitations on the phase stability of metals and steels
journal, April 2016

  • Körmann, F.; Hickel, T.; Neugebauer, J.
  • Current Opinion in Solid State and Materials Science, Vol. 20, Issue 2
  • DOI: 10.1016/j.cossms.2015.06.001

Mechanical and tribological properties of multi-element (AlCrTaTiZr)N coatings
journal, April 2008


Searching for Next Single-Phase High-Entropy Alloy Compositions
journal, October 2013


Magnetic and vibrational properties of high-entropy alloys
journal, April 2011

  • Lucas, M. S.; Mauger, L.; Muñoz, J. A.
  • Journal of Applied Physics, Vol. 109, Issue 7
  • DOI: 10.1063/1.3538936

Microstructure, thermophysical and electrical properties in AlxCoCrFeNi (0≤x≤2) high-entropy alloys
journal, July 2009

  • Chou, Hsuan-Ping; Chang, Yee-Shyi; Chen, Swe-Kai
  • Materials Science and Engineering: B, Vol. 163, Issue 3
  • DOI: 10.1016/j.mseb.2009.05.024

Epilogue: Superconducting materials past, present and future
journal, July 2015

  • Chu, C. W.; Canfield, P. C.; Dynes, R. C.
  • Physica C: Superconductivity and its Applications, Vol. 514
  • DOI: 10.1016/j.physc.2015.03.003

First-principles prediction of high-entropy-alloy stability
journal, November 2017


Discovery of a Superconducting High-Entropy Alloy
journal, September 2014


Recent progress in multi-element alloy and nitride coatings sputtered from high-entropy alloy targets
journal, December 2006

  • Cheng, Keng-Hao; Lai, Chia-Han; Lin, Su-Jien
  • Annales de Chimie Science des Matériaux, Vol. 31, Issue 6
  • DOI: 10.3166/acsm.31.723-736

Effect of W and Zr on structural, thermal and magnetic properties of AlCoCrCuFeNi high entropy alloy
journal, April 2013


Microstructure and magnetic properties of mechanically alloyed FeSiBAlNi (Nb) high entropy alloys
journal, April 2014


Entropy-stabilized oxides
journal, September 2015

  • Rost, Christina M.; Sachet, Edward; Borman, Trent
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms9485

Controlled Jahn-Teller distortion in (MgCoNiCuZn)O-based high entropy oxides
journal, May 2017


Effect of cooling rate on the phase structure and magnetic properties of Fe 26.7 Co 28.5 Ni 28.5 Si 4.6 B 8.7 P 3 high entropy alloy
journal, August 2017


Nanoscale thermal transport. II. 2003–2012
journal, March 2014

  • Cahill, David G.; Braun, Paul V.; Chen, Gang
  • Applied Physics Reviews, Vol. 1, Issue 1
  • DOI: 10.1063/1.4832615

Standard enthalpies of formation of selected XYZ half-Heusler compounds
journal, December 2015


Inhibition of grain coarsening up to 1000°C in (AlCrNbSiTiV)N superhard coatings
journal, January 2010


Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy
journal, January 2015

  • Santodonato, Louis J.; Zhang, Yang; Feygenson, Mikhail
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms6964

Hydrogen storage properties of Ti2−xCrVMx (M = Fe, Co, Ni) alloys
journal, October 2013


A critical review of high entropy alloys and related concepts
journal, January 2017


Effects of substrate temperature and post-annealing on microstructure and properties of (AlCrNbSiTiV)N coatings
journal, November 2009


Hydrogen storage and cyclic properties of (VFe)60(TiCrCo)40-xZrx (0 ≤ x ≤ 2) alloys
journal, April 2016


Novel microstructure and properties of multicomponent CoCrCuFeNiTix alloys
journal, March 2007


High-entropy Alloys with High Saturation Magnetization, Electrical Resistivity and Malleability
journal, March 2013

  • Zhang, Yong; Zuo, TingTing; Cheng, YongQiang
  • Scientific Reports, Vol. 3, Issue 1
  • DOI: 10.1038/srep01455

Mapping the magnetic transition temperatures for medium- and high-entropy alloys
journal, April 2018


Exploration and Development of High Entropy Alloys for Structural Applications
journal, January 2014

  • Miracle, Daniel; Miller, Jonathan; Senkov, Oleg
  • Entropy, Vol. 16, Issue 1
  • DOI: 10.3390/e16010494

High-entropy alloys as high-temperature thermoelectric materials
journal, November 2015

  • Shafeie, Samrand; Guo, Sheng; Hu, Qiang
  • Journal of Applied Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.4935489

A ductile high entropy alloy with attractive magnetic properties
journal, February 2017


Accelerated exploration of multi-principal element alloys with solid solution phases
journal, March 2015

  • Senkov, O. N.; Miller, J. D.; Miracle, D. B.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7529

Sc–Zr–Nb–Rh–Pd and Sc–Zr–Nb–Ta–Rh–Pd High-Entropy Alloy Superconductors on a CsCl-Type Lattice
journal, January 2018


Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one
journal, November 2015


Recent Progress in Exploring Magnetocaloric Materials
journal, December 2009