Interplay between vacancy-induced hydrogen segregation and stress-induced vacancy redistribution causing embrittlement of alpha-iron
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 distribu...
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| Language: | English |
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Taylor & Francis Group
2025-02-01
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| Series: | Science and Technology of Advanced Materials |
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| Online Access: | https://www.tandfonline.com/doi/10.1080/14686996.2025.2459060 |
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| author | Mugilgeethan Vijendran Ryosuke Matsumoto |
| author_facet | Mugilgeethan Vijendran Ryosuke Matsumoto |
| author_sort | Mugilgeethan Vijendran |
| collection | DOAJ |
| 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 [Formula: see text] 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. |
| format | Article |
| id | doaj-art-b8cc82c0d9fd4b3398af5088f2bed215 |
| institution | Kabale University |
| issn | 1468-6996 1878-5514 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | Taylor & Francis Group |
| record_format | Article |
| series | Science and Technology of Advanced Materials |
| spelling | doaj-art-b8cc82c0d9fd4b3398af5088f2bed2152025-02-03T10:55:58ZengTaylor & Francis GroupScience and Technology of Advanced Materials1468-69961878-55142025-02-0110.1080/14686996.2025.2459060Interplay between vacancy-induced hydrogen segregation and stress-induced vacancy redistribution causing embrittlement of alpha-ironMugilgeethan Vijendran0Ryosuke Matsumoto1Department of Mechanical and Electrical Systems Engineering, Kyoto University of Advanced Science, Kyoto, JapanDepartment of Mechanical and Electrical Systems Engineering, Kyoto University of Advanced Science, Kyoto, JapanThis 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 [Formula: see text] 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.https://www.tandfonline.com/doi/10.1080/14686996.2025.2459060Intergranular failureIrontensile behaviorHydrogenVacancy-induced |
| spellingShingle | Mugilgeethan Vijendran Ryosuke Matsumoto Interplay between vacancy-induced hydrogen segregation and stress-induced vacancy redistribution causing embrittlement of alpha-iron Science and Technology of Advanced Materials Intergranular failure Iron tensile behavior Hydrogen Vacancy-induced |
| title | Interplay between vacancy-induced hydrogen segregation and stress-induced vacancy redistribution causing embrittlement of alpha-iron |
| title_full | Interplay between vacancy-induced hydrogen segregation and stress-induced vacancy redistribution causing embrittlement of alpha-iron |
| title_fullStr | Interplay between vacancy-induced hydrogen segregation and stress-induced vacancy redistribution causing embrittlement of alpha-iron |
| title_full_unstemmed | Interplay between vacancy-induced hydrogen segregation and stress-induced vacancy redistribution causing embrittlement of alpha-iron |
| title_short | Interplay between vacancy-induced hydrogen segregation and stress-induced vacancy redistribution causing embrittlement of alpha-iron |
| title_sort | interplay between vacancy induced hydrogen segregation and stress induced vacancy redistribution causing embrittlement of alpha iron |
| topic | Intergranular failure Iron tensile behavior Hydrogen Vacancy-induced |
| url | https://www.tandfonline.com/doi/10.1080/14686996.2025.2459060 |
| work_keys_str_mv | AT mugilgeethanvijendran interplaybetweenvacancyinducedhydrogensegregationandstressinducedvacancyredistributioncausingembrittlementofalphairon AT ryosukematsumoto interplaybetweenvacancyinducedhydrogensegregationandstressinducedvacancyredistributioncausingembrittlementofalphairon |