WoS İndeksli Yayınlar Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.12573/394
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Article Citation - WoS: 40Citation - Scopus: 43The Role of Hydrogen in the Edge Dislocation Mobility and Grain Boundary-Dislocation Interaction in Α-Fe(Pergamon-Elsevier Science Ltd, 2021-09) Kapci, Mehmet Fazil; Schoen, J. Christian; Bal, Burak; Schön, J. ChristianThe atomistic mechanisms of dislocation mobility depending on the presence of hydrogen were investigated for two edge dislocation systems that are active in the plasticity of alpha-Fe, specifically 1/2<111>{110} and 1/2<111>{112}. In particular, the glide of the dislocation pile-ups through a single crystal, as well as transmission of the pile-ups across the grain boundary were evaluated in bcc iron crystals that contain hydrogen concentrations in different amounts. Additionally, the uniaxial tensile response under a constant strain rate was analyzed for the aforementioned structures. The results reveal that the presence of hydrogen decreases the velocity of the dislocations -in contrast to the commonly invoked HELP (Hydrogen-enhanced localized plasticity) mechanism-, although some localization was observed near the grain boundary where dislocations were pinned by elastic stress fields. In the presence of pre-exisiting dislocations, hydrogen-induced hardening was observed as a consequence of the restriction of the dislocation mobility under uniaxial tension. Furthermore, it was observed that hydrogen accumulation in the grain boundary suppresses the formation of new grains that leads to a hardening response in the stress-strain behaviour which can initiate brittle fracture points. (C) 2021 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.Article Citation - WoS: 12Citation - Scopus: 12Edge Dislocation Depinning From Hydrogen Atmosphere in Α-Iron(Pergamon-Elsevier Science Ltd, 2024-07) Kapci, Mehmet Fazil; Yu, Ping; Marian, Jaime; Liu, Guisen; Shen, Yao; Li, Yang; Bal, BurakUnderstanding the dislocation motion in hydrogen atmosphere is essential for revealing the hydrogen-related degradation in metallic materials. Atomic simulations were adopted to investigate the interaction between dislocations and hydrogen atoms, where the realistic hydrogen distribution in the vicinity of the dislocation core was emulated from the Grand Canonical Monte Carlo computations. The depinning of edge dislocations in alpha-Fe at different temperatures and hydrogen concentrations was then studied using Molecular Dynamics simulations. The results revealed that an increase in bulk hydrogen concentration increases the flow stress due to the pinning effect of solute hydrogen. The depinning stress was found to decrease due to the thermal activation of the edge dislocation at higher temperatures. In addition, prediction of the obtained results was performed by an elastic model that can correlate the bulk hydrogen concentration to depinning stress.Article Citation - WoS: 34Citation - Scopus: 35An Atomistic Study on the Help Mechanism of Hydrogen Embrittlement in Pure Metal Fe(Pergamon-Elsevier Science Ltd, 2024-02) Hasan, Md Shahrier; Kapci, Mehmet Fazil; Bal, Burak; Koyama, Motomichi; Bayat, Hadia; Xu, WenwuThe Hydrogen Enhanced Localized Plasticity (HELP) mechanism is one of the most important theories explaining Hydrogen Embrittlement in metallic materials. While much research has focused on hydrogen's impact on dislocation core structure and dislocation mobility, its effect on local dislocation density and plasticity remains less explored. This study examines both aspects using two distinct atomistic simulations: one for a single edge dislocation under shear and another for a bulk model under cyclic loading, both across varying hydrogen concentrations. We find that hydrogen stabilizes the edge dislocation and exhibits a dual impact on dislocation mobility. Specifically, mobility increases below a shear load of 900 MPa but progressively decreases above this threshold. Furthermore, dislocation accumulation is notably suppressed at around 1 % hydrogen concentration. These findings offer key insights for future research on Hydrogen Embrittlement, particularly in fatigue scenarios.Article Citation - WoS: 4Citation - Scopus: 4A Phenomenological Hydrogen Induced Edge Dislocation Mobility Law for Bcc Fe Obtained by Molecular Dynamics(Pergamon-Elsevier Science Ltd, 2024-10) Baltacioglu, Mehmet Furkan; Kapci, Mehmet Fazil; Schoen, J. Christian; Marian, Jaime; Bal, Burak; Schön, J. ChristianInvestigating the interaction between hydrogen and dislocations is essential for understanding the origin of hydrogen-related fractures, specifically hydrogen embrittlement (HE). This study investigates the effect of hydrogen on the mobility of 1/2<111>{110} and 1/2<111>{112} edge dislocations in body-centered cubic (BCC) iron (Fe). Specifically, molecular dynamics (MD) simulations are conducted at various stress levels and temperatures for hydrogen-free and hydrogen-containing lattices. The results show that hydrogen significantly reduces dislocation velocities due to the pinning effect. Based on the results of MD simulations, phenomenological mobility laws for both types of dislocations as a function of stress, temperature and hydrogen concentration are proposed. Current findings provide a comprehensive model for predicting dislocation behavior in hydrogencontaining BCC lattices, thus enhancing the understanding of HE. Additionally, the mobility laws can be utilized in dislocation dynamics simulations to investigate hydrogen-dislocation interactions on a larger scale, aiding in the design of HE-resilient materials for industrial applications.