# Atomistic study on effects of solute atoms on energy profile of edge dislocation mobility in FCC-Cu alloys

https://mdr.nims.go.jp/datasets/4846bc1d-211c-4858-bac1-d12a18822c23

## Files

- [Cu_MaterTodayCommu2024.pdf](https://mdr.nims.go.jp/filesets/844f7c25-32df-452d-9aad-7f817d6dfd34/download) ([Detail](https://mdr.nims.go.jp/filesets/844f7c25-32df-452d-9aad-7f817d6dfd34.md))

## Id

4846bc1d-211c-4858-bac1-d12a18822c23

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-11-20T07:21:57.610674Z

## Updated at

2026-01-29T07:30:07.210581Z

## Published at

2026-01-29T04:54:39.196070Z

## Doi

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

## First published url

https://doi.org/10.1016/j.mtcomm.2024.108242

## Date published

2024-01-29

## Recorded date published

2024-3

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Atomistic study on effects of solute atoms on energy profile of edge dislocation
    mobility in FCC-Cu alloys
  title_type: original
  lang: en

## Description

- description: 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.
  description_type: abstract
  lang: und

## Creator

- name: Chiharu Kura
  role: author
- name: Masato Wakeda
  role: author
  orcid: https://orcid.org/0000-0002-6377-1318
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Kazushi Hayashi
  role: author
- name: Takahito Ohmura
  role: author
  orcid: https://orcid.org/0000-0001-7528-566X
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: Cu
  schema: not_defined
- subject: edge dislocation
  schema: not_defined
- subject: energy profile
  schema: not_defined
- subject: solute atoms
  schema: not_defined
- subject: atomistic study
  schema: not_defined

## Rights

- description: "© 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/"
  identifier: https://creativecommons.org/licenses/by-nc-nd/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo

start_date: 2024-01-29
end_date: 2026-01-29

## Journal

- title: Materials Today Communications
  issn: '23524928'
  volume: '38'
  article_number: '108242'

## Conference



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## Specimen



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## Fileset

- id: 844f7c25-32df-452d-9aad-7f817d6dfd34
  filename: Cu_MaterTodayCommu2024.pdf
  content_type: application/pdf
  size: 3151962
  md5: 91b2774f2c066d17184516397b4c1251

## Thumbnail

fileset_id: 844f7c25-32df-452d-9aad-7f817d6dfd34
filename: Cu_MaterTodayCommu2024.pdf