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research article

Theory of spontaneous grain boundary roughening in high entropy alloys

Baruffi, C.
•
Curtin, W. A.  
August 1, 2022
Acta Materialia

High Entropy Alloys (HEAs) are a new broad class of near-random solid solution alloys that can possess some impressive mechanical and physical properties including high stability against grain growth (i.e. low grain boundary (GB) mobility). Here, it is shown that an initially flat GB in an HEA can become spontaneously rough, driven by natural local compositional fluctuations. Roughening lowers the total GB energy and thus can inhibit migration. A parameter-free theoretical framework is developed to demonstrate the energetics and size scales of the roughening in terms of solute/GB interaction energies and GB disconnection energies. Above a critical level of solute/GB interactions, a planar GB is predicted to roughen down to the scale of the GB periodic unit. A similar theory for 1D GBs (minimum periodic length in one direction) is also developed since such geometries are common in atomistic simulations. Specific predictions are made for the [100] symmetric tilt boundaries E17100 and E5100 in a model CoCuFeNi alloy and atomistic simulations demonstrate roughening consistent with the theory. Analysis of the stresses needed to drive migration shows how migration can be inhibited or enhanced, rationalizing variations in mobility of GBs in HEAs. (c) 2022 The Author(s). Published by Elsevier Ltd on behalf of Acta Materialia Inc. This is an open access article under the CC BY-NC-ND license ( http://creativecommons.org/licenses/by-nc-nd/4.0/ )

  • Details
  • Metrics
Type
research article
DOI
10.1016/j.actamat.2022.118011
Web of Science ID

WOS:000808464600008

Author(s)
Baruffi, C.
Curtin, W. A.  
Date Issued

2022-08-01

Publisher

PERGAMON-ELSEVIER SCIENCE LTD

Published in
Acta Materialia
Volume

234

Article Number

118011

Subjects

Materials Science, Multidisciplinary

•

Metallurgy & Metallurgical Engineering

•

Materials Science

•

high entropy alloys

•

grain boundaries

•

spontaneous roughening

•

pinning

•

cross-slip

•

fcc

•

growth

•

microstructure

•

dislocations

•

aluminum

•

kinetics

•

mobility

•

coincidence

•

nbmotaw

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LAMMM  
Available on Infoscience
July 4, 2022
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/188831
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