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Title: A comparison study of local lattice distortion in Ni80Pd20 binary alloy and FeCoNiCrPd high-entropy alloy

Abstract

In this paper, the effect of alloying Pd on the local lattice distortion (LLD) in the Ni and FeCoNiCr host matrixes is quantified by integrating local structure characterization and theoretical calculations. The local structure measurements reveal that the mean LLD in the FeCoNiCrPd high-entropy alloy (HEA) is twice as high as the Ni80Pd20 binary alloy though the FeCoNiCr base alloy has a negligible mean LLD. Density functional theory calculations unveil that the unexpected high mean LLD in FeCoNiCrPd is related to the high fluctuation of LLD in the FeCoNiCr matrix. Finally, these observations suggest a synergetic effect of chemical complexity on HEAs' mean LLD.

Authors:
 [1];  [1];  [1];  [1];  [2];  [3];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Division of Materials Science and Technology
  2. Cornell Univ., Ithaca, NY (United States). Cornell High Energy Synchrotron Source
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Division of Materials Science and Technology; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cornell Univ., Ithaca, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1462847
Alternate Identifier(s):
OSTI ID: 1702206
Grant/Contract Number:  
AC05-00OR22725; DMR-1332208
Resource Type:
Accepted Manuscript
Journal Name:
Scripta Materialia
Additional Journal Information:
Journal Volume: 156; Journal ID: ISSN 1359-6462
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; high-entropy alloys; lattice distortion; X-ray diffraction; density functional theory

Citation Formats

Tong, Y., Zhao, S., Jin, K., Bei, H., Ko, J. Y. P., Zhang, Y., and Zhang, F. X. A comparison study of local lattice distortion in Ni80Pd20 binary alloy and FeCoNiCrPd high-entropy alloy. United States: N. p., 2018. Web. https://doi.org/10.1016/j.scriptamat.2018.07.002.
Tong, Y., Zhao, S., Jin, K., Bei, H., Ko, J. Y. P., Zhang, Y., & Zhang, F. X. A comparison study of local lattice distortion in Ni80Pd20 binary alloy and FeCoNiCrPd high-entropy alloy. United States. https://doi.org/10.1016/j.scriptamat.2018.07.002
Tong, Y., Zhao, S., Jin, K., Bei, H., Ko, J. Y. P., Zhang, Y., and Zhang, F. X. Fri . "A comparison study of local lattice distortion in Ni80Pd20 binary alloy and FeCoNiCrPd high-entropy alloy". United States. https://doi.org/10.1016/j.scriptamat.2018.07.002. https://www.osti.gov/servlets/purl/1462847.
@article{osti_1462847,
title = {A comparison study of local lattice distortion in Ni80Pd20 binary alloy and FeCoNiCrPd high-entropy alloy},
author = {Tong, Y. and Zhao, S. and Jin, K. and Bei, H. and Ko, J. Y. P. and Zhang, Y. and Zhang, F. X.},
abstractNote = {In this paper, the effect of alloying Pd on the local lattice distortion (LLD) in the Ni and FeCoNiCr host matrixes is quantified by integrating local structure characterization and theoretical calculations. The local structure measurements reveal that the mean LLD in the FeCoNiCrPd high-entropy alloy (HEA) is twice as high as the Ni80Pd20 binary alloy though the FeCoNiCr base alloy has a negligible mean LLD. Density functional theory calculations unveil that the unexpected high mean LLD in FeCoNiCrPd is related to the high fluctuation of LLD in the FeCoNiCr matrix. Finally, these observations suggest a synergetic effect of chemical complexity on HEAs' mean LLD.},
doi = {10.1016/j.scriptamat.2018.07.002},
journal = {Scripta Materialia},
number = ,
volume = 156,
place = {United States},
year = {2018},
month = {7}
}

Journal Article:

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Cited by: 4 works
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Figures / Tables:

Fig. 1 Fig. 1: A comparison between the experimentally observed PDFs and their fits calculated based on ideal fcc structure for Ni80Pd20 (a) and FeCoNiCrPd (b). For each sample, two types of fitting were conducted: the fitting in the upper panel had the lattice constant as a free parameter; in the lowermore » panel, the lattice constant was pre-determined by fitting only the first peak and then fixed for the whole spectrum fitting. (For interpretation of the references to color in this figure, the reader is referred to the web version of this article.)« less

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Works referencing / citing this record:

Computational characterization of the structural and mechanical properties of Al x CoCrFeNiTi 1− x high entropy alloys
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Computational characterization of the structural and mechanical properties of Al x CoCrFeNiTi 1− x high entropy alloys
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Element Effects on High-Entropy Alloy Vacancy and Heterogeneous Lattice Distortion Subjected to Quasi-equilibrium Heating
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Semiconducting SiGeSn high-entropy alloy: A density functional theory study
journal, December 2019

  • Wang, Duo; Liu, Lei; Huang, Wenjiang
  • Journal of Applied Physics, Vol. 126, Issue 22
  • DOI: 10.1063/1.5135324

Local structure of Ni 80 X 20 (X: Cr, Mn, Pd) solid-solution alloys and its response to ion irradiation
journal, November 2019

  • Zhang, F. X.; Tong, Y.; Velisa, G.
  • Journal of Physics: Condensed Matter, Vol. 32, Issue 7
  • DOI: 10.1088/1361-648x/ab5388

Lattice Distortion and Phase Stability of Pd-Doped NiCoFeCr Solid-Solution Alloys
journal, November 2018

  • Zhang, Fuxiang; Tong, Yang; Jin, Ke
  • Entropy, Vol. 20, Issue 12
  • DOI: 10.3390/e20120900

    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.