DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Evaluating the grain-scale deformation behavior of a single-phase FCC high entropy alloy using synchrotron high energy diffraction microscopy

Abstract

We report although the deformation behavior of high-entropy alloys (HEAs) has been extensively studied at the macroscale, many important properties have yet to be explored for these alloys at the microscale, thus hampering accurate prediction of damage and failure processes. Synchrotron high-energy diffraction microscopy (HEDM) and fast-Fourier transform-based crystal plasticity modeling was conducted to investigate the three-dimensional (3D) grain-resolved micromechanical response for approximately 1,900 constituent grains within a single-phase FCC HEA up to 1% applied strain. The evolution of grain-resolved elastic strains, lattice reorientations, and maximum resolved shear stresses (mRSS) were evaluated to quantify elastic, yield, and fully plastic behavior. Overall, the initial critical resolved shear stress (CRSS), determined via in situ HEDM and companion modeling, was found to be > 20% higher than estimated using the classical polycrystalline Taylor factor (M = 3.06). However, a descriptive parameter based on the average grain-resolved Taylor factor ($$\overline{M}$$) was found to show excellent agreement with plastic yielding behavior observed within HEDM datasets. Noticeable deviations in HEDM lattice reorientations compared to both EVP-FFT simulations and classical predictions for FCC polycrystals were discovered, highlighting the complexity in correlating local lattice reorientations, Taylor, and Schmid factors with plastic response for this material at the grain-scale. Therefore, it is anticipated that the overall trends and parameter identification of 3D grain-resolved properties in this study can serve as an important foundation for continued mesoscale investigation on both well-established and newly developed Cantor-like HEAs.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [1]
  1. Carnegie Mellon University, Pittsburgh, PA (United States)
  2. Cornell University, Ithaca, NY (United States)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1873344
Alternate Identifier(s):
OSTI ID: 1805067
Report Number(s):
LA-UR-22-20633
Journal ID: ISSN 1359-6454
Grant/Contract Number:  
89233218CNA000001; SC0019096; DMR-1829070; DESC0019096
Resource Type:
Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 215; Journal ID: ISSN 1359-6454
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; high entropy alloys; plasticity; resolved shear stress; residual stress; deformation; 3D-XRD

Citation Formats

Gordon, J. V., Lim, R. E., Wilkin, M. J., Pagan, D. C., Lebensohn, R. A., and Rollett, A. D. Evaluating the grain-scale deformation behavior of a single-phase FCC high entropy alloy using synchrotron high energy diffraction microscopy. United States: N. p., 2021. Web. doi:10.1016/j.actamat.2021.117120.
Gordon, J. V., Lim, R. E., Wilkin, M. J., Pagan, D. C., Lebensohn, R. A., & Rollett, A. D. Evaluating the grain-scale deformation behavior of a single-phase FCC high entropy alloy using synchrotron high energy diffraction microscopy. United States. https://doi.org/10.1016/j.actamat.2021.117120
Gordon, J. V., Lim, R. E., Wilkin, M. J., Pagan, D. C., Lebensohn, R. A., and Rollett, A. D. Thu . "Evaluating the grain-scale deformation behavior of a single-phase FCC high entropy alloy using synchrotron high energy diffraction microscopy". United States. https://doi.org/10.1016/j.actamat.2021.117120. https://www.osti.gov/servlets/purl/1873344.
@article{osti_1873344,
title = {Evaluating the grain-scale deformation behavior of a single-phase FCC high entropy alloy using synchrotron high energy diffraction microscopy},
author = {Gordon, J. V. and Lim, R. E. and Wilkin, M. J. and Pagan, D. C. and Lebensohn, R. A. and Rollett, A. D.},
abstractNote = {We report although the deformation behavior of high-entropy alloys (HEAs) has been extensively studied at the macroscale, many important properties have yet to be explored for these alloys at the microscale, thus hampering accurate prediction of damage and failure processes. Synchrotron high-energy diffraction microscopy (HEDM) and fast-Fourier transform-based crystal plasticity modeling was conducted to investigate the three-dimensional (3D) grain-resolved micromechanical response for approximately 1,900 constituent grains within a single-phase FCC HEA up to 1% applied strain. The evolution of grain-resolved elastic strains, lattice reorientations, and maximum resolved shear stresses (mRSS) were evaluated to quantify elastic, yield, and fully plastic behavior. Overall, the initial critical resolved shear stress (CRSS), determined via in situ HEDM and companion modeling, was found to be > 20% higher than estimated using the classical polycrystalline Taylor factor (M = 3.06). However, a descriptive parameter based on the average grain-resolved Taylor factor ($\overline{M}$) was found to show excellent agreement with plastic yielding behavior observed within HEDM datasets. Noticeable deviations in HEDM lattice reorientations compared to both EVP-FFT simulations and classical predictions for FCC polycrystals were discovered, highlighting the complexity in correlating local lattice reorientations, Taylor, and Schmid factors with plastic response for this material at the grain-scale. Therefore, it is anticipated that the overall trends and parameter identification of 3D grain-resolved properties in this study can serve as an important foundation for continued mesoscale investigation on both well-established and newly developed Cantor-like HEAs.},
doi = {10.1016/j.actamat.2021.117120},
journal = {Acta Materialia},
number = ,
volume = 215,
place = {United States},
year = {Thu Jun 24 00:00:00 EDT 2021},
month = {Thu Jun 24 00:00:00 EDT 2021}
}

Works referenced in this record:

Reasons for the superior mechanical properties of medium-entropy CrCoNi compared to high-entropy CrMnFeCoNi
journal, April 2017


Temperature dependent stacking fault energy of FeCrCoNiMn high entropy alloy
journal, November 2015


Cooperative deformation in high-entropy alloys at ultralow temperatures
journal, March 2020


Vanadium is an optimal element for strengthening in both fcc and bcc high-entropy alloys
journal, April 2020


Irradiation Behavior in High Entropy Alloys
journal, October 2015

  • Xia, Song-qin; Wang, Zhen; Yang, Teng-fei
  • Journal of Iron and Steel Research International, Vol. 22, Issue 10
  • DOI: 10.1016/S1006-706X(15)30084-4

Microstructural development in equiatomic multicomponent alloys
journal, July 2004


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


Microstructure and Mechanical Properties of High-Entropy Alloy Co20Cr26Fe20Mn20Ni14 Processed by High-Pressure Torsion at 77 K and 300 K
journal, July 2018


Plastic strain partitioning in dual phase Al13CoCrFeNi high entropy alloy
journal, March 2018


High entropy alloys: A focused review of mechanical properties and deformation mechanisms
journal, April 2020


X-ray characterization of the micromechanical response ahead of a propagating small fatigue crack in a Ni-based superalloy
journal, October 2019


Fatigue crack initiation, slip localization and twin boundaries in a nickel-based superalloy
journal, August 2014

  • Stein, Clayton A.; Cerrone, Albert; Ozturk, Tugce
  • Current Opinion in Solid State and Materials Science, Vol. 18, Issue 4
  • DOI: 10.1016/j.cossms.2014.06.001

Modeling slip system strength evolution in Ti-7Al informed by in-situ grain stress measurements
journal, April 2017


Study of grain-level deformation and residual stresses in Ti-7Al under combined bending and tension using high energy diffraction microscopy (HEDM)
journal, September 2016


Strong grain neighbour effects in polycrystals
journal, January 2018

  • Abdolvand, Hamidreza; Wright, Jonathan; Wilkinson, Angus J.
  • Nature Communications, Vol. 9, Issue 1
  • DOI: 10.1038/s41467-017-02213-9

Quantification of cyclic twinning-detwinning behavior during low-cycle fatigue of pure magnesium using high energy X-ray diffraction
journal, August 2019


Measured resolved shear stresses and Bishop-Hill stress states in individual grains of austenitic stainless steel
journal, December 2017


In situ tensile study of PM-HIP and wrought 316 L stainless steel and Inconel 625 alloys with high energy diffraction microscopy
journal, December 2018

  • Guillen, Donna Post; Pagan, Darren C.; Getto, Elizabeth M.
  • Materials Science and Engineering: A, Vol. 738
  • DOI: 10.1016/j.msea.2018.09.083

In-situ study of planar slip in a commercial aluminum-lithium alloy using high energy X-ray diffraction microscopy
journal, July 2019


Critical resolved shear stress for slip and twin nucleation in single crystalline FeNiCoCrMn high entropy alloy
journal, July 2017


Slip nucleation in single crystal FeNiCoCrMn high entropy alloy
journal, February 2016


Orientation dependence of twinning in single crystalline CoCrFeMnNi high-entropy alloy
journal, September 2017

  • Kireeva, I. V.; Chumlyakov, Yu. I.; Pobedennaya, Z. V.
  • Materials Science and Engineering: A, Vol. 705
  • DOI: 10.1016/j.msea.2017.08.065

Twinning in [001]-oriented single crystals of CoCrFeMnNi high-entropy alloy at tensile deformation
journal, January 2018

  • Kireeva, I. V.; Chumlyakov, Yu. I.; Pobedennaya, Z. V.
  • Materials Science and Engineering: A, Vol. 713
  • DOI: 10.1016/j.msea.2017.12.059

Size effect, critical resolved shear stress, stacking fault energy, and solid solution strengthening in the CrMnFeCoNi high-entropy alloy
journal, October 2016

  • Okamoto, Norihiko L.; Fujimoto, Shu; Kambara, Yuki
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep35863

The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy
journal, September 2013


Assessment of surface and bulk-dominated methodologies to measure critical resolved shear stresses in hexagonal materials
journal, February 2020


Low-cycle fatigue properties of CoCrFeMnNi high-entropy alloy compared with its conventional counterparts
journal, August 2020


Microstructure evolution and critical stress for twinning in the CrMnFeCoNi high-entropy alloy
journal, October 2016


Exploring new links between crystal plasticity models and high-energy X-ray diffraction microscopy
journal, October 2019

  • Shade, Paul A.; Musinski, William D.; Obstalecki, Mark
  • Current Opinion in Solid State and Materials Science, Vol. 23, Issue 5
  • DOI: 10.1016/j.cossms.2019.07.002

Texture Analysis with MTEX – Free and Open Source Software Toolbox
journal, February 2010


Tensile properties of high- and medium-entropy alloys
journal, August 2013


Far-field high-energy diffraction microscopy: a tool for intergranular orientation and strain analysis
journal, July 2011

  • Bernier, J. V.; Barton, N. R.; Lienert, U.
  • The Journal of Strain Analysis for Engineering Design, Vol. 46, Issue 7
  • DOI: 10.1177/0309324711405761

An elasto-viscoplastic formulation based on fast Fourier transforms for the prediction of micromechanical fields in polycrystalline materials
journal, May 2012

  • Lebensohn, Ricardo A.; Kanjarla, Anand K.; Eisenlohr, Philip
  • International Journal of Plasticity, Vol. 32-33
  • DOI: 10.1016/j.ijplas.2011.12.005

Validation of micro-mechanical FFT-based simulations using High Energy Diffraction Microscopy on Ti-7Al
journal, August 2018


Quantification of location-dependence in a large-scale additively manufactured build through experiments and micromechanical modeling
journal, September 2019


Effect of microstructure on the elasto-viscoplastic deformation of dual phase titanium structures
journal, August 2017


Characterization of metal additive manufacturing surfaces using synchrotron X-ray CT and micromechanical modeling
journal, December 2017


A FFT-based numerical implementation of mesoscale field dislocation mechanics: Application to two-phase laminates
journal, February 2020


Processing, Microstructure and Mechanical Properties of the CrMnFeCoNi High-Entropy Alloy
journal, August 2015


Theory of strengthening in fcc high entropy alloys
journal, October 2016


DREAM.3D: A Digital Representation Environment for the Analysis of Microstructure in 3D
journal, April 2014

  • Groeber, Michael A.; Jackson, Michael A.
  • Integrating Materials and Manufacturing Innovation, Vol. 3, Issue 1
  • DOI: 10.1186/2193-9772-3-5

Modeling the effect of neighboring grains on twin growth in HCP polycrystals
journal, August 2017

  • Kumar, M. Arul; Beyerlein, I. J.; Lebensohn, R. A.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 25, Issue 6
  • DOI: 10.1088/1361-651X/aa7bbb

Determining grain resolved stresses in polycrystalline materials using three-dimensional X-ray diffraction
journal, April 2010

  • Oddershede, Jette; Schmidt, Søren; Poulsen, Henning Friis
  • Journal of Applied Crystallography, Vol. 43, Issue 3
  • DOI: 10.1107/S0021889810012963

Yield Strength Prediction of Titanium Alloys
journal, May 2015


Enhancement in fatigue performance of metastable austenitic stainless steel through directed energy deposition additive manufacturing
journal, April 2019


In-situ high energy X-ray diffraction study of the elastic response of a metastable β-titanium alloy
journal, September 2020


In-situ observation of bulk 3D grain evolution during plastic deformation in polycrystalline Cu
journal, April 2015


Polycrystal Plasticity: Comparison Between Grain - Scale Observations of Deformation and Simulations
journal, March 2014


Average intragranular misorientation trends in polycrystalline materials predicted by a viscoplastic self-consistent approach
journal, February 2016


Investigation of porosity, texture, and deformation behavior using high energy X-rays during in-situ tensile loading in additively manufactured 316L stainless steel
journal, April 2021

  • Murphy-Leonard, Aeriel D.; Pagan, Darren C.; Callahan, Patrick G.
  • Materials Science and Engineering: A, Vol. 810
  • DOI: 10.1016/j.msea.2021.141034

Microstructural effects on damage evolution in shocked copper polycrystals
journal, September 2016


Lattice rotations of individual bulk grains Part II: correlation with initial orientation and model comparison
journal, June 2004


Micromechanical and macromechanical effects in grain scale polycrystal plasticity experimentation and simulation
journal, October 2001