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Title: High-entropy alloys in hexagonal close-packed structure

Abstract

The microstructures and properties of high-entropy alloys (HEAs) based on the face-centered cubic and body-centered cubic structures have been studied extensively in the literature, but reports on HEAs in the hexagonal close-packed (HCP) structure are very limited. Using an efficient strategy in combining phase diagram inspection, CALPHAD modeling, and ab initio molecular dynamics simulations, a variety of new compositions are suggested that may hold great potentials in forming single-phase HCP HEAs that comprise rare earth elements and transition metals, respectively. Lastly, experimental verification was carried out on CoFeReRu and CoReRuV using X-ray diffraction, scanning electron microscopy, and energy dispersion spectroscopy.

Authors:
 [1];  [2];  [2];  [3];  [1]
  1. National Energy Technology Lab. (NETL), Albany, OR (United States)
  2. Louisiana State Univ., Baton Rouge, LA (United States)
  3. Taiyuan Univ. of Technology, Taiyuan (China)
Publication Date:
Research Org.:
National Energy Technology Lab. (NETL), Albany, OR (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1338297
Report Number(s):
CONTR-PUB-146
Journal ID: ISSN 1073-5623; PII: 3091
Grant/Contract Number:  
FE0004000
Resource Type:
Accepted Manuscript
Journal Name:
Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science
Additional Journal Information:
Journal Volume: 47; Journal Issue: 7; Journal ID: ISSN 1073-5623
Publisher:
ASM International
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Gao, Michael C., Zhang, B., Guo, S. M., Qiao, J. W., and Hawk, J. A. High-entropy alloys in hexagonal close-packed structure. United States: N. p., 2015. Web. doi:10.1007/s11661-015-3091-1.
Gao, Michael C., Zhang, B., Guo, S. M., Qiao, J. W., & Hawk, J. A. High-entropy alloys in hexagonal close-packed structure. United States. doi:10.1007/s11661-015-3091-1.
Gao, Michael C., Zhang, B., Guo, S. M., Qiao, J. W., and Hawk, J. A. Fri . "High-entropy alloys in hexagonal close-packed structure". United States. doi:10.1007/s11661-015-3091-1. https://www.osti.gov/servlets/purl/1338297.
@article{osti_1338297,
title = {High-entropy alloys in hexagonal close-packed structure},
author = {Gao, Michael C. and Zhang, B. and Guo, S. M. and Qiao, J. W. and Hawk, J. A.},
abstractNote = {The microstructures and properties of high-entropy alloys (HEAs) based on the face-centered cubic and body-centered cubic structures have been studied extensively in the literature, but reports on HEAs in the hexagonal close-packed (HCP) structure are very limited. Using an efficient strategy in combining phase diagram inspection, CALPHAD modeling, and ab initio molecular dynamics simulations, a variety of new compositions are suggested that may hold great potentials in forming single-phase HCP HEAs that comprise rare earth elements and transition metals, respectively. Lastly, experimental verification was carried out on CoFeReRu and CoReRuV using X-ray diffraction, scanning electron microscopy, and energy dispersion spectroscopy.},
doi = {10.1007/s11661-015-3091-1},
journal = {Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science},
number = 7,
volume = 47,
place = {United States},
year = {2015},
month = {8}
}

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Cited by: 23 works
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Works referenced in this record:

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


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


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


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

Absence of long-range chemical ordering in equimolar FeCoCrNi
journal, June 2012

  • Lucas, M. S.; Wilks, G. B.; Mauger, L.
  • Applied Physics Letters, Vol. 100, Issue 25
  • DOI: 10.1063/1.4730327

Microstructure characterization of Al x CoCrCuFeNi high-entropy alloy system with multiprincipal elements
journal, April 2005

  • Tong, Chung-Jin; Chen, Yu-Liang; Yeh, Jien-Wei
  • Metallurgical and Materials Transactions A, Vol. 36, Issue 4
  • DOI: 10.1007/s11661-005-0283-0

Effects of Al addition on the microstructure and mechanical property of AlxCoCrFeNi high-entropy alloys
journal, July 2012


Aluminum Alloying Effects on Lattice Types, Microstructures, and Mechanical Behavior of High-Entropy Alloys Systems
journal, October 2013


Microstructures and mechanical properties of Al CrFeNiTi0.25 alloys
journal, January 2015


Refractory high-entropy alloys
journal, September 2010


Senary refractory high entropy alloy MoNbTaTiVW
journal, March 2015


Amorphization of equimolar alloys with HCP elements during mechanical alloying
journal, September 2010


A Novel Low-Density, High-Hardness, High-entropy Alloy with Close-packed Single-phase Nanocrystalline Structures
journal, December 2014


Hexagonal High-entropy Alloys
journal, August 2014


The Thermo-Calc databank system
journal, April 1985


Ab initiomolecular dynamics for liquid metals
journal, January 1993


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


A unified formulation of the constant temperature molecular dynamics methods
journal, July 1984

  • Nosé, Shuichi
  • The Journal of Chemical Physics, Vol. 81, Issue 1
  • DOI: 10.1063/1.447334

Projector augmented-wave method
journal, December 1994


Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008


Ab initio simulations of geometrical frustration in supercooled liquid Fe and Fe-based metallic glass
journal, January 2008


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

Structural stability of NiCoFeCrAl x high-entropy alloy from ab initio theory
journal, August 2013


    Works referencing / citing this record:

    Computational characterization of the structural and mechanical properties of Al x CoCrFeNiTi 1− x high entropy alloys
    journal, July 2019


    First-principles investigation of the micromechanical properties of fcc-hcp polymorphic high-entropy alloys
    journal, July 2018