Hydrogen enhances cross-slip of dislocations in the vicinity of grain boundaries
- Extensive experimental observations indicate the presence of nano-voids and the increase of free volume along the grain boundaries in hydrogen contaminated metals. This rate-dependent phenomenon motivates theoretical investigations of the underlying mechanisms. Here, a hydrogen enhanced cross-slip (HECS) mechanism in the close vicinity of the grain boundaries is demonstrated by direct molecular dynamics simulations. To this end, the interaction of the screw dislocations with a variety of symmetric tilt grain boundaries in H-charged and H-free bicrystalline nickel specimens is examined. The presence of segregated hydrogen atoms at the grain boundaries induces a stress field in their vicinity, and thus the barrier for cross-slip of screw dislocations considerably decreases. The enhanced crossslip of dislocations facilitates the formation of jogs. These jogs can form vacancies during the glide process. This mechanism shows nano-scale evidence of enhanced vacancy formation and subsequentExtensive experimental observations indicate the presence of nano-voids and the increase of free volume along the grain boundaries in hydrogen contaminated metals. This rate-dependent phenomenon motivates theoretical investigations of the underlying mechanisms. Here, a hydrogen enhanced cross-slip (HECS) mechanism in the close vicinity of the grain boundaries is demonstrated by direct molecular dynamics simulations. To this end, the interaction of the screw dislocations with a variety of symmetric tilt grain boundaries in H-charged and H-free bicrystalline nickel specimens is examined. The presence of segregated hydrogen atoms at the grain boundaries induces a stress field in their vicinity, and thus the barrier for cross-slip of screw dislocations considerably decreases. The enhanced crossslip of dislocations facilitates the formation of jogs. These jogs can form vacancies during the glide process. This mechanism shows nano-scale evidence of enhanced vacancy formation and subsequent increase in the free volume along the grain boundaries in the presence of H. This increase of the free-volume along the grain boundary dmaages the material and induce further embrittlement in addition to the direct effect of hydrogen in decreasing the fracture energy.…
Autor*innen: | Tilmann HickelORCiD |
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Koautor*innen: | A. Tehranchi, J. Neugebauer |
Dokumenttyp: | Vortrag |
Veröffentlichungsform: | Präsentation |
Sprache: | Englisch |
Jahr der Erstveröffentlichung: | 2023 |
Organisationseinheit der BAM: | 6 Materialchemie |
6 Materialchemie / 6.4 Materialinformatik | |
DDC-Klassifikation: | Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Angewandte Physik |
Freie Schlagwörter: | Atomistic model; Dislocation cross slip; Hydrogen embrittlement; Hydrogen enhanced vacancy formation |
Themenfelder/Aktivitätsfelder der BAM: | Energie |
Energie / Wasserstoff | |
Veranstaltung: | International hydrogen conference 2023 |
Veranstaltungsort: | Park City, Utah, USA |
Beginndatum der Veranstaltung: | 17.09.2023 |
Enddatum der Veranstaltung: | 21.09.2023 |
Verfügbarkeit des Dokuments: | Datei im Netzwerk der BAM verfügbar ("Closed Access") |
Datum der Freischaltung: | 20.11.2023 |
Referierte Publikation: | Nein |
Eingeladener Vortrag: | Nein |