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

Title: Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling

Abstract

Long-term stability of high entropy alloys (HEAs) is a critical consideration for the design and practical application of HEAs. It has long been assumed that many HEAs are a kinetically-stabilized metastable structure, and recent experiments have confirmed this hypothesis by observing HEA ecomposition after long-termequilibration. In the presentwork,we demonstrate the use of the CALculation of PHAse Diagrams (CALPHAD) approach to predict HEA stability and processing parameters, comparing experimental long-term annealing observations to CALPHAD phase diagrams from a commercially-available HEA database. As a result, we find good agreement between single- and multi-phase predictions and experiments.

Authors:
ORCiD logo [1];  [1];  [1];  [2];  [3]
  1. QuesTek Innovations LLC, Evanston, IL (United States)
  2. The Univ. of Tennessee, Knoxville, TN (United States)
  3. QuesTek Innovations LLC, Evanston, IL (United States); Northwestern Univ., Evanston, IL (United States)
Publication Date:
Research Org.:
QuesTek Innovations LLC, Evanston, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1405304
Alternate Identifier(s):
OSTI ID: 1549411
Grant/Contract Number:  
SC0013220
Resource Type:
Accepted Manuscript
Journal Name:
Scripta Materialia
Additional Journal Information:
Journal Volume: 146; Journal Issue: C; Journal ID: ISSN 1359-6462
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CALPHAD; Phase diagram; Metal and alloys; Microstructure

Citation Formats

Saal, James E., Berglund, Ida S., Sebastian, Jason T., Liaw, Peter K., and Olson, Greg B.. Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling. United States: N. p., 2017. Web. https://doi.org/10.1016/j.scriptamat.2017.10.027.
Saal, James E., Berglund, Ida S., Sebastian, Jason T., Liaw, Peter K., & Olson, Greg B.. Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling. United States. https://doi.org/10.1016/j.scriptamat.2017.10.027
Saal, James E., Berglund, Ida S., Sebastian, Jason T., Liaw, Peter K., and Olson, Greg B.. Sun . "Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling". United States. https://doi.org/10.1016/j.scriptamat.2017.10.027. https://www.osti.gov/servlets/purl/1405304.
@article{osti_1405304,
title = {Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling},
author = {Saal, James E. and Berglund, Ida S. and Sebastian, Jason T. and Liaw, Peter K. and Olson, Greg B.},
abstractNote = {Long-term stability of high entropy alloys (HEAs) is a critical consideration for the design and practical application of HEAs. It has long been assumed that many HEAs are a kinetically-stabilized metastable structure, and recent experiments have confirmed this hypothesis by observing HEA ecomposition after long-termequilibration. In the presentwork,we demonstrate the use of the CALculation of PHAse Diagrams (CALPHAD) approach to predict HEA stability and processing parameters, comparing experimental long-term annealing observations to CALPHAD phase diagrams from a commercially-available HEA database. As a result, we find good agreement between single- and multi-phase predictions and experiments.},
doi = {10.1016/j.scriptamat.2017.10.027},
journal = {Scripta Materialia},
number = C,
volume = 146,
place = {United States},
year = {2017},
month = {10}
}

Journal Article:

Citation Metrics:
Cited by: 12 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Metastable high-entropy dual-phase alloys overcome the strength–ductility trade-off
journal, May 2016

  • Li, Zhiming; Pradeep, Konda Gokuldoss; Deng, Yun
  • Nature, Vol. 534, Issue 7606
  • DOI: 10.1038/nature17981

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

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

High pressure synthesis of a hexagonal close-packed phase of the high-entropy alloy CrMnFeCoNi
journal, May 2017

  • Tracy, Cameron L.; Park, Sulgiye; Rittman, Dylan R.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15634

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

Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi
journal, December 2015

  • Zhang, ZiJiao; Mao, M. M.; Wang, Jiangwei
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms10143

Polymorphism in a high-entropy alloy
journal, June 2017

  • Zhang, Fei; Wu, Yuan; Lou, Hongbo
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15687

Ultrastrong ductile and stable high-entropy alloys at small scales
journal, July 2015

  • Zou, Yu; Ma, Huan; Spolenak, Ralph
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms8748

A fracture-resistant high-entropy alloy for cryogenic applications
journal, September 2014


Microstructural development in equiatomic multicomponent alloys
journal, July 2004


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

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


Microstructure and wear behavior of AlxCo1.5CrFeNi1.5Tiy high-entropy alloys
journal, September 2011


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


Alloying and Processing Effects on the Aqueous Corrosion Behavior of High-Entropy Alloys
journal, February 2014


Effect of one-step recrystallization on the grain boundary evolution of CoCrFeMnNi high entropy alloy and its subsystems
journal, February 2016

  • Chen, Bo-Ru; Yeh, An-Chou; Yeh, Jien-Wei
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep22306

Nanostructured nitride films of multi-element high-entropy alloys by reactive DC sputtering
journal, November 2004


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


Recent progress in high-entropy alloys
journal, December 2006


Mechanical performance of the Al x CoCrCuFeNi high-entropy alloy system with multiprincipal elements
journal, May 2005

  • Tong, Chung-Jin; Chen, Min-Rui; Yeh, Jien-Wei
  • Metallurgical and Materials Transactions A, Vol. 36, Issue 5
  • DOI: 10.1007/s11661-005-0218-9

Formation of simple crystal structures in Cu-Co-Ni-Cr-Al-Fe-Ti-V alloys with multiprincipal metallic elements
journal, August 2004

  • Yeh, Jien-Wei; Lin, Su-Jien; Chin, Tsung-Shune
  • Metallurgical and Materials Transactions A, Vol. 35, Issue 8
  • DOI: 10.1007/s11661-006-0234-4

Solid-Solution Phase Formation Rules for Multi-component Alloys
journal, June 2008

  • Zhang, Y.; Zhou, Y. J.; Lin, J. P.
  • Advanced Engineering Materials, Vol. 10, Issue 6, p. 534-538
  • DOI: 10.1002/adem.200700240

Refractory high-entropy alloys
journal, September 2010


Decomposition in multi-component AlCoCrCuFeNi high-entropy alloy
journal, January 2011


Fatigue behavior of Al0.5CoCrCuFeNi high entropy alloys
journal, September 2012


Fracture Toughness and Fatigue Crack Growth Behavior of As-Cast High-Entropy Alloys
journal, August 2015


Fatigue behavior of a wrought Al0.5CoCrCuFeNi two-phase high-entropy alloy
journal, October 2015


Phase Diagrams of High-Entropy Alloy System Al-Co-Cr-Fe-Mo-Ni
journal, October 2013


Wear resistance and high-temperature compression strength of Fcc CuCoNiCrAl0.5Fe alloy with boron addition
journal, May 2004

  • Hsu, Chin-You; Yeh, Jien-Wei; Chen, Swe-Kai
  • Metallurgical and Materials Transactions A, Vol. 35, Issue 5
  • DOI: 10.1007/s11661-004-0254-x

Microstructure and compressive properties of multiprincipal component AlCoCrFeNiCx alloys
journal, February 2011


Solid solution alloys of AlCoCrFeNiTix with excellent room-temperature mechanical properties
journal, April 2007

  • Zhou, Y. J.; Zhang, Y.; Wang, Y. L.
  • Applied Physics Letters, Vol. 90, Issue 18
  • DOI: 10.1063/1.2734517

Microstructure and electrochemical properties of high entropy alloys—a comparison with type-304 stainless steel
journal, September 2005


Phase separation of metastable CoCrFeNi high entropy alloy at intermediate temperatures
journal, January 2017


On the entropic stabilisation of an Al0.5CrFeCoNiCu high entropy alloy
journal, November 2014


Precipitation in the equiatomic high-entropy alloy CrMnFeCoNi
journal, March 2016


The Effect of Electronic Structure on the Phases Present in High Entropy Alloys
journal, January 2017

  • Leong, Zhaoyuan; Wróbel, Jan S.; Dudarev, Sergei L.
  • Scientific Reports, Vol. 7, Issue 1
  • DOI: 10.1038/srep39803

Atomistic clustering-ordering and high-strain deformation of an Al0.1CrCoFeNi high-entropy alloy
journal, August 2016

  • Sharma, Aayush; Singh, Prashant; Johnson, Duane D.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep31028

Evaluation of Calphad Approach and Empirical Rules on the Phase Stability of Multi-principal Element Alloys
journal, July 2017

  • Liang, Song-Mao; Schmid-Fetzer, Rainer
  • Journal of Phase Equilibria and Diffusion, Vol. 38, Issue 4
  • DOI: 10.1007/s11669-017-0577-0

Design of Light-Weight High-Entropy Alloys
journal, September 2016

  • Feng, Rui; Gao, Michael; Lee, Chanho
  • Entropy, Vol. 18, Issue 9
  • DOI: 10.3390/e18090333

Understanding phase stability of Al-Co-Cr-Fe-Ni high entropy alloys
journal, November 2016


Phase Composition of a CrMo0.5NbTa0.5TiZr High Entropy Alloy: Comparison of Experimental and Simulated Data
journal, September 2013

  • Senkov, Oleg; Zhang, Fan; Miller, Jonathan
  • Entropy, Vol. 15, Issue 12
  • DOI: 10.3390/e15093796

    Works referencing / citing this record:

    Science and technology in high-entropy alloys
    journal, January 2018


    Transformation Induced Plasticity Effects of a Non-Equal Molar Co-Cr-Fe-Ni High Entropy Alloy System
    journal, May 2018


    Modeling the structure and thermodynamics of high-entropy alloys
    journal, July 2018


    Combinatorial metallurgical synthesis and processing of high-entropy alloys
    journal, July 2018

    • Li, Zhiming; Ludwig, Alfred; Savan, Alan
    • Journal of Materials Research, Vol. 33, Issue 19
    • DOI: 10.1557/jmr.2018.214

    A Review of Multi-Scale Computational Modeling Tools for Predicting Structures and Properties of Multi-Principal Element Alloys
    journal, February 2019

    • Beyramali Kivi, Mohsen; Hong, Yu; Asle Zaeem, Mohsen
    • Metals, Vol. 9, Issue 2
    • DOI: 10.3390/met9020254