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: 3Citation - Scopus: 3Dual Targeting of DNA Damage Response Proteins Implicated in Cancer Radioresistance(MDPI, 2023-12-17) Vasilopoulos, Spyridon N.; Guner, Hueseyin; Apaydin, Merve Uca; Pavlopoulou, Athanasia; Georgakilas, Alexandros G.; Uça Apaydın, MerveIonizing radiation can induce different types of DNA lesions, leading to genomic instability and ultimately cell death. Radiation therapy or radiotherapy, a major modality in cancer treatment, harnesses the genotoxic potential of radiation to target and destroy cancer cells. Nevertheless, cancer cells have the capacity to develop resistance to radiation treatment (radioresistance), which poses a major obstacle in the effective management of cancer. It has been shown that administration of platinum-based drugs to cancer patients can increase tumor radiosensitivity, but despite this, it is associated with severe adverse effects. Several lines of evidence support that activation of the DNA damage response and repair machinery in the irradiated cancer cells enhances radioresistance and cellular survival through the efficient repair of DNA lesions. Therefore, targeting of key DNA damage repair factors would render cancer cells vulnerable to the irradiation effects, increase cancer cell killing, and reduce the risk of side effects on healthy tissue. Herein, we have employed a computer-aided drug design approach for generating ab initio a chemical compound with drug-like properties potentially targeting two proteins implicated in multiple DNA repair pathways. The findings of this study could be taken into consideration in clinical decision-making in terms of co-administering radiation with DNA damage repair factor-based drugs.Article Citation - WoS: 7Citation - Scopus: 7Atomic Structure of Amorphous CDO from First Principles Simulations(Elsevier Science Bv, 2015-03) Durandurdu, MuratAmorphous CdO (a-CdO) is obtained by cooling the liquid at a sufficiently fast cooling rate using first-principles simulations. The topology of the amorphous model is examined using a variety of analyzing techniques. The local structural arrangement of a-CdO is found to be partially similar to that of crystalline phase. The model is chemically ordered but consists of a significant amount of coordination defects. a-CdO is predicted to be a semiconductor with a band gap energy less than the crystalline state. It is likely that a-CdO might serve as a novel electronic material. (C) 2015 Elsevier B.V. All rights reserved.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.Article Citation - WoS: 32Citation - Scopus: 32A Detailed Investigation of the Effect of Hydrogen on the Mechanical Response and Microstructure of Al 7075 Alloy Under Medium Strain Rate Impact Loading(Pergamon-Elsevier Science Ltd, 2020-09) Bal, Burak; Okdem, Bilge; Bayram, Ferdi Caner; Aydin, MuratEffects of hydrogen and temperature on impact response and corresponding microstructure of aluminum (Al) 7075 alloy were investigated under medium strain rate impact loading. The specimens were subjected to impact energy of 12 J and 25 J, corresponding to impact velocities of 2.13 m/s and 3.08 m/s, respectively. These energy levels were decided after a couple of impact tests with different impact energy values, such as 6 J, 10 J, 12 J, 25 J. The experiments were conducted at five different temperatures. Electrochemical charging method was used for hydrogen charging. Microstructural observations of hydrogen uncharged and hydrogen charged specimens were carried out by scanning electron microscope. Hydrogen changed the crack propagation behavior of Al 7075 alloy depending on the temperature. Coexistence of several hydrogen embrittlement mechanisms, such as hydrogen enhanced decohesion (HEDE) and hydrogen enhanced localized plasticity (HELP) were observed under impact loading. The impact response of Al 7075 was significantly deteriorated by the hydrogen charging and changing temperature affected the absorbed energy of hydrogen-charged specimens. In addition, molecular dynamics simulations were conducted to uncover the atomistic origin of hydrogen embrittlement mechanisms under impact loading. In particular, hydrogen decreased the cohesive energy and enhanced the average dislocation mobility. Therefore, the experimental results presented herein constitute an efficient guideline for the usage of Al alloys that are subject to impact loading in service in a wide range of temperatures. (C) 2020 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.