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Solid-solution strengthening is an effective method to increase the mechanical strength of metal alloys. Revealing the solid-solution strengthening mechanism based on the energy profile of dislocation motion is vital for the non-empirical development of high-strength metal alloys. In this study, we provide detailed energy profiles of the edge dislocation gliding motion under the effect of solute atoms and the atomic-scale origin of solute strengthening in face centered cubic (FCC) binary Cu alloys. The maximum shear stress required for the dislocation to leave the solute atoms (Ni, Co, and Mo, all with different sizes and stacking fault effects) was determined by finite temperature molecular dynamics simulations. The nudged elastic band (NEB) analysis reveals the atomistic origin of the energy barrier for the edge dislocation motion and the maximum force required to overcome solute pinning effect (i.e., depinning force, FNEB). FNEB was well precited by the theoretical model based on the size effect, and qualitatively explained the increment in the maximum shear stress by solute atoms. These results should provide atomistic basis for the prediction of the solute strengthening effect correlated with edge dislocation motion in wide FCC systems.

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• Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International
  

  © 2024. This manuscript version is made available under the CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/

Keyword: Cu, edge dislocation, energy profile, solute atoms, atomistic study

Date published: 2024-01-29

Publisher: Elsevier BV

Journal:

• Materials Today Communications (ISSN: 23524928) vol. 38 108242

Funding:

Manuscript type: Author's version (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.5098

First published URL: https://doi.org/10.1016/j.mtcomm.2024.108242

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Updated at: 2026-01-29 16:30:07 +0900

Published on MDR: 2026-01-29 13:54:39 +0900