# Interplay between vacancy-induced hydrogen segregation and stress-induced vacancy redistribution causing embrittlement of alpha-iron

https://mdr.nims.go.jp/datasets/93a1161c-0529-4d46-b61c-ce7f7a5dba10

## Files

- [Interplay between vacancy-induced hydrogen segregation and stress-induced vacancy redistribution causing embrittlement of alpha-iron.pdf](https://mdr.nims.go.jp/filesets/3d3e7d55-1ddd-4c51-967b-8164d1d7eefa/download) ([Detail](https://mdr.nims.go.jp/filesets/3d3e7d55-1ddd-4c51-967b-8164d1d7eefa.md))

## Id

93a1161c-0529-4d46-b61c-ce7f7a5dba10

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-02-12T06:09:14.460180Z

## Updated at

2025-07-16T07:17:06.337609Z

## Published at

2025-02-13T03:30:18.008263Z

## Doi

https://doi.org/10.48505/nims.5322

## First published url

https://doi.org/10.1080/14686996.2025.2459060

## Date published

2025-12-31

## Recorded date published

2025-12-31

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Interplay between vacancy-induced hydrogen segregation and stress-induced
    vacancy redistribution causing embrittlement of alpha-iron
  title_type: original
  lang: en

## Description

- description: This study proposes a novel mechanism of intergranular fracture in
    alpha-iron, focusing on the effects of trapped vacancies, H atoms, and their synergistic
    interplay under tensile strain. We present a methodology for the introduction
    of H into grain boundaries (GBs) resulting in a realistic distribution by considering
    H – H interactions. Accordingly, optimal H concentrations were determined under
    specific environmental conditions for GBs with and without vacancy-induced segregation
    under zero and 2% tensile strain, respectively. Subsequently, the reduction in
    cohesive energy at GBs was evaluated at the optimal H concentration under these
    conditions. In the case of H segregation without vacancies at zero applied strain,
    the reduction in the cohesive energy ranged approximately from 15% to 35% for
    all the GB configurations. Eventually, vacancy segregation increased H concentration
    at the GBs, defined as vacancy-induced H segregation. The vacancy-induced H segregation
    resulted in a 60%–117% increase in H concentration and a 70%–80% decrease in cohesive
    energy at a vacancy concentration of 7.491/nm2 under zero applied strain. The
    proposed vacancy-induced H-segregation mechanism explained the delayed fracture
    in steel. Furthermore, the effect of tensile strain on embrittlement was elucidated,
    with strain-induced vacancy redistribution and vacancy-induced H segregation synergistically
    promoting GB decohesion, resulting in a 73%–93% reduction in cohesive energy at
    the same vacancy concentration.
  description_type: abstract
  lang: en

## Creator

- name: Mugilgeethan Vijendran
  role: author
  organization: Kyoto University
  department: Mugilgeethan Vijendrana Department of Mechanical and Electrical Systems
    Engineering,
- name: Ryosuke Matsumoto
  role: author
  organization: Kyoto University
  department: Department of Mechanical and Electrical Systems Engineering

## Contact agent



## Publisher

organization: Taylor & Francis

## Managing organization



## Keyword

- subject: Intergranular failure
  schema: not_defined
- subject: " Iron"
  schema: not_defined
- subject: Tensile behavior
  schema: not_defined
- subject: Hydrogen
  schema: not_defined
- subject: Vacancy-induced
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Science and Technology of Advanced Materials
  issn: '14686996'
  volume: '26'
  article_number: '2459060'

## Conference



## Related item



## Funding



## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



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## Custom property



## Fileset

- id: 3d3e7d55-1ddd-4c51-967b-8164d1d7eefa
  filename: Interplay between vacancy-induced hydrogen segregation and stress-induced
    vacancy redistribution causing embrittlement of alpha-iron.pdf
  content_type: application/pdf
  size: 6662174
  md5: e19942d77976603dff0a96aaecfd94d4

## Thumbnail

fileset_id: 3d3e7d55-1ddd-4c51-967b-8164d1d7eefa
filename: Interplay between vacancy-induced hydrogen segregation and stress-induced
  vacancy redistribution causing embrittlement of alpha-iron.pdf