Scopus İndeksli Yayınlar Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.12573/395
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Research Project Bor Zengini Amorf Malzemeler(TUBİTAK, 2020) Durandurdu, MuratBu TÜBİTAK 1001 projesi kapsamında, bor zengini farklı amorf malzemeler [B1-xSix, B1-xCx, B1-_x000D_ xOx, ve B1-xLix (0, 5 ≥ � ≥ 0,05)] ab initio moleküler dinamik tekniği kullanılarak sıvı hallerin hızlıca_x000D_ soğutulması sonucu modellenmiş ve bu malzemelerin atomik yapıları, elektronik yapıları ve_x000D_ mekanik özellikleri ayrıntı olarak araştırılmıştır. Bunlara ek olarak, bu malzemelerin bazı_x000D_ oranlarının yüksek basınçtaki davranışları incelenmiştir. Bazı malzemelerde, örneğin BC ve BO_x000D_ malzemelerinde, bor oranının artmasıyla iki boyutlu yapıdan üç boyutlu yapıya geçiş_x000D_ gözlemlenmiştir. Ayrıca yüksek bor oranlarında, B12 icosahedralların oluştuğu bulunmuştur. B12_x000D_ molekülüne ek olarak nano boyutunda B7, B10, B14, B16 kafes moleküllerinin oluşumu bazı_x000D_ malzemelerde gözlemlenmiştir. Modellenen malzemelerin her birinin yarıiletken özelliği gösterdiği_x000D_ fakat yasak band aralığında bor oranına bağlı genel bir eğilim olmayıp dalgalanmaların olduğu_x000D_ bulunmuştur. B12 moleküllerinin oluşumunun malzemelerin mekanik özelliğini dikkate değer bir_x000D_ şekilde etkilediği ve bor oranı yüksek olan malzemelerin daha sert bir özellik gösterdiği_x000D_ bulunmuştur. Yüksek basınç uygulamasıyla, malzemelerin daha yoğun bir amorf yapıya faz_x000D_ geçişişi yaptığı ve malzemeye bağlı olarak, faz geçişlerinin tersinir ya da tersinir olmayan faz_x000D_ geçişleri olduğu gözlemlenmiştir.Article Citation - WoS: 10Citation - Scopus: 11Liquid Boron and Amorphous Boron: An Ab Initio Molecular Dynamics Study(Elsevier, 2015-06) Durandurdu, MuratThe atomic structure of liquid and amorphous boron is investigated using an ab initio molecular dynamics technique. Liquid and amorphous states are found to have notably different microstructures and an average coordination number. Ideal and defective pentagonal pyramidal polyhedrons are the primary building unit of liquid boron but B-12 icosahedra do not exist in the liquid state. During the rapid solidification, more ideal pentagonal pyramids develop progressively, resulting into a gradual formation of B-12 icosahedra. On the basis of our findings, the atomic packing of pure amorphous boron is proposed to be somewhat close to that of the alpha-rhombohedral phase in contrast to the previous suggestions. (C) 2015 Elsevier B.V. All rights reserved.Article Citation - WoS: 2Citation - Scopus: 2Diffuse-Layer Surface Potentials of Colemanites Mined in Turkey(Oficyna Wydawnicza Politechniki Wrocławskiej, 2022-07-07) Arslan, Dilek Senol; Drelich, Jaroslaw W.; Senol-Arslan, DilekColemanite crystal specimens were handpicked at Kestelek, Emet (Hisarcik, Espey), Bigadic mines in Turkey for characterization of their composition and surface potential. X-ray diffraction analysis revealed no differences in mineralogical makeup of the crystals, but elemental analysis indicated differences in the type of trace (<0.1 wt%) elements. Zeta potential measurements showed small differences in zeta potential values, with isoelectric points (iep) varying from about pH = 9.6 to pH = 10.2. However, no correlation was found between iep and the type of trace elements. Additionally, atomic force microscopy (AFM) was employed to measure the colloidal interactions between a silicon nitride (Si3N4) cantilever tip and colemanite crystal surfaces in 1 wt% colemanite-saturated aqueous solutions at three different pHs (8.4, 9.4 and 11). The Derjaguin-Landau-Verwey-Overbeek theory (DLVO) was applied to examine the AFM tip interactions with colemanite surfaces in an aqueous solution of colemanite saturated solutions. The results revealed attractive forces at pH = 8.4 and 9.4 and repulsive forces at pH = 11, confirming the location of an isoelectric point for colemanite specimens somewhere between pH = 9.5 and pH = 10.1. Theoretical analysis of the force curves using the DLVO theory allowed for assessment of both surface charge density and surface potential for colemanite specimens used in this study.Article Citation - WoS: 5Citation - Scopus: 4Densification of Amorphous Boron Under Pressure(Elsevier, 2017-09) Durandurdu, MuratThe densification mechanism of amorphous boron under pressure is investigated using a constant pressure ab initio technique and found to be associated with two consecutive amorphous-to-amorphous phase transformations. Amorphous boron gradually transforms into a high density amorphous phase, followed by a first order phase transformation into another high density amorphous state. The high density amorphous phases of boron are not quenchable to ambient pressure. Most quasimolecular B-12 icosahedra in the model are found to be stable at the highest the theoretical pressure of 280 GPa reached in the present work and thus the phase transformations are principally due to the re-structural arrangements in the parts of the model connecting B-12 icosahedra.Article Türkiye’de Farklı Yörelerde Bulunan Kolemanit Minerallerinin Fiziksel, Kimyasal Ve Termal Özelliklerinin Tayini(Gumushane University, 2021-08-24) Senol-Arslan, Dilek; Arslan, Dilek Senol; Şenol Arslan, DilekIn this study, colemanite is an important boron mineral which constitutes about 76% of Turkey's boron reserves, is frequently used in applications obtained as a result of scientific and technological developments. In this context, a detailed literature survey was carried out colemanite minerals. Characteristic and structural features of the colemanite samples of four different regions (Kestelek, Emet (Hisarcık, Espey), Bigadiç regions) were determined by analyzes such as X-Ray Diffraction (XRD), Inductively Coupled Plasma, ICP and Mass Spectrometry, MS (ICP-MS), Thermogravimetric and Differential thermal analysis (TG-DTA), and Fouier Transform Infrared Spectroscopy (FT-IR) methods. In line with these findings, the mineralogical, chemical and thermal properties of pure colemanite crystals were determined and the similarities and differences between the samples were revealed. © 2025 Elsevier B.V., All rights reserved.