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Spectroscopic and DFT Studies on 2-{[(2-chlorophenyl)-imino]methyl}phenol 2-{[(2-氯苯基)-亚氨基]甲基}苯酚的光谱和DFT研究
H. Tanak, M. Evecen
In this study, molecular geometry, vibrational frequencies and gauge including atomic orbital (GIAO) H and C NMR chemical shift values of 2-{[(2-chlorophenyl)-imino]methyl}phenol in the ground state were calculated using the density functional method (B3LYP) with 6-31G(d) basis set. The calculated results show that the optimized geometry can well reproduce the crystal structure, and the theoretical vibrational frequencies and chemical shift values show good agreement with experimental values. The UV-vis spectra of the title compound has been predicted using TD-DFT method with the 6-31G(d) basis set in gas phase.
本研究采用密度泛函法(B3LYP),以6-31G(d)为基,计算了基态2-{(2-氯苯基)-亚氨基]甲基}苯酚的分子几何结构、振动频率和包括原子轨道(GIAO) H和C核磁共振的化学位移值。计算结果表明,优化后的几何结构能较好地再现晶体结构,理论振动频率和化学位移值与实验值吻合较好。采用6-31G(d)为气相基的TD-DFT方法预测了标题化合物的紫外可见光谱。
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引用次数: 0
Assessment of University Perception Based on Twitter Data 基于Twitter数据的大学认知评估
S. Bardak, T. Bardak
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引用次数: 0
Dizel Motorlarında Zararlı Egzoz Emisyonlarının Azaltılmasının Araştırılması
Zeynep Aytaç, Cumali Ilkiliç
The matters that cause to air pollution is expanded to atmosphere in everywhere is produced energy in the world. These pollutions that expended to environment especially from chimney and exhaust pipe of combustion systems areeffected human wealth and livings life conditions. In this study, to aim to decrease harmful exhaust emissions sunflower oil methyl ester was mixed volumetrically with diesel fuel in %25 proportion. The mixture was tested in four stroke, air cooled, direct injection diesel engine with single cylinder in different speed (rpm) and emission values were measured. These values were compared with the ones for diesel fuel. The results showed that the mixture of sunflower oil methyl ester and diesel fuel gave a power and torque close to the values obtained from the diesel fuel and the amounts of pollutants decreased. At the maximum torque, amount of CO and NOx decreased 21% and 11% respectively. Similarly, they decreased 7% and 12% at maximum power speed. As a result, considering the exhaust gas emissions it was seen that sunflower oil methyl ester and diesel fuel mixture could be used as an alternative fuel in a diesel engine. Keywordsalternative fuels, vegetable oils, diesel engine, methyl ester, CO, NOx.
在世界上产生能源的过程中,导致空气污染的物质扩散到大气的各个角落。这些污染扩散到环境中,特别是燃烧系统的烟囱和排气管污染,影响着人类的财富和生活条件。本研究将葵花籽油甲酯与柴油按%25的比例进行体积混合,以减少有害废气的排放。在四冲程、风冷、单缸直喷柴油机上进行了不同转速(rpm)的试验,并测量了排放值。这些值与柴油的值进行了比较。结果表明,葵花籽油甲酯与柴油混合后,发动机的动力和扭矩接近柴油,污染物排放量下降。在最大扭矩下,CO和NOx的排放量分别下降了21%和11%。同样,在最大功率速度下,它们分别下降了7%和12%。因此,考虑到废气排放,葵花籽油甲酯和柴油混合燃料可以作为柴油发动机的替代燃料。关键词替代燃料,植物油,柴油机,甲酯,CO, NOx
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引用次数: 0
A Robust Formulation for U-shaped Assembly Line Balancing Problem Under Task Time Uncertainty by Considering Worker Skills 考虑工人技能的任务时间不确定u型装配线平衡问题鲁棒公式
Ö. Yılmaz
The U-shaped assembly line balancing (UALB) problem has been extensively investigated in the existing academic literature. However, only a limited number of studies consider the uncertainty in the assembly lines. In this research, a robust formulation is developed for the addressed problem under task time uncertainty by focusing on the heterogeneity inherent of workers. The worker resources are not the same in terms of either skills or skill levels. Therefore, it is plausible to investigate the manufacturing system from this perspective to provide managerial insights regarding the performance metrics, such as the total cost, number of stations. Besides, the uncertainty of processes in a manufacturing system must be considered to improve system performance. Since robust optimization is a powerful technique to overcome uncertainty, the robust approach is employed in this study. First, the UALB problem is presented and followed by that the robust counterpart of this model is provided. The optimal results are obtained for different parameter levels after solving the model. The analysis of the results is made through real data provided by a water-meter assembly line.
在现有的学术文献中,对u型装配线平衡问题进行了广泛的研究。然而,只有有限数量的研究考虑了装配线的不确定性。在本研究中,通过关注工人的内在异质性,为任务时间不确定性下解决的问题开发了一个稳健的公式。工人资源在技能或技能水平方面都不相同。因此,从这个角度对制造系统进行调查,以提供有关绩效指标(如总成本、工位数量)的管理见解是合理的。此外,为了提高系统性能,必须考虑制造系统过程的不确定性。由于鲁棒优化是一种克服不确定性的强大技术,因此本研究采用了鲁棒方法。首先提出了UALB问题,然后给出了该模型的鲁棒对应模型。对模型进行求解,得到了不同参数水平下的最优结果。通过水表装配线提供的实际数据对结果进行了分析。
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引用次数: 0
Quantum chemical computational studies on 4-Fluoro-N-(4-hydroxybenzylidene)-aniline 4-氟- n -(4-羟基苄基)苯胺的量子化学计算研究
H. Tanak
Density functional theory calculations of the molecular structure have been performed at B3LYP/6-31G(d) level of theory for the title compound. To investigate the nonlinear optical properties of the title compound, the electric dipole moment, the polarizability and the first hyperpolarizability were calculated using the DFT/B3LYP method with the 6‐31G(d) basis set. According to results, the title compound exhibits nonzero hyperpolarizability value revealing second order nonlinear optical behavior. In order to investigate reactive sites for electrophilic or nucleophilic sites for the investigated molecule, the molecular electrostatic potential at the B3LYP/6‐31G(d) basis optimized geometry was also calculated. Besides, atomic charges, and molecular orbital energies have been investigated of the title compound using the densitiy functional theory calculations. The highest occupied molecular orbital and the lowest-lying unoccupied molecular orbital are mostly the pantibonding type orbitals. The value of the energy separation between the HOMO and LUMO is quite large.
在B3LYP/6-31G(d)理论水平上对标题化合物的分子结构进行了密度泛函理论计算。为了研究标题化合物的非线性光学性质,采用DFT/B3LYP方法计算了6‐31G(d)基集下的电偶极矩、极化率和第一超极化率。结果表明,该化合物具有非零的超极化率值,显示出二阶非线性光学行为。为了研究所研究分子的亲电或亲核活性位点,还计算了B3LYP/6‐31G(d)基优化几何结构下的分子静电势。此外,用密度泛函理论计算了标题化合物的原子电荷和分子轨道能。最高已占分子轨道和最低未占分子轨道多为泛键型轨道。HOMO和LUMO之间的能量分离值相当大。
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引用次数: 0
Stone Water Impregnation and Some Technological Properties in Various Impregnation / Diffusion Times of East Beech (Fagus Orientalis Link) Wood 东山毛榉(Fagus Orientalis Link)木材不同浸渍/扩散时间的石水浸渍及工艺特性
H. Ulusoy, Sevgin Özderin, N. Ay
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引用次数: 0
Sensitivity Analysis For Control Parameters Of Hybrid And Standard PSO Algorithms: Application Via A Rainfall-runoff Model Calibration 混合和标准粒子群算法控制参数的敏感性分析:在降雨径流模型标定中的应用
U. Okkan, Umut Kirdemir
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引用次数: 1
Türkiye’deki Basketbol Spor Kulüplerinin Sosyal Medya Kullanımı
Yarkın Çelik, Oğulcan Berk
Özet – Teknolojinin gelişimi ve akıllı cihazların ceplerimize kadar girmesi yeni alışkanlıklarla beraber farklı tutum ve davranışları da beraberinde getirmiştir. Milyarlarca insana ulaşan spor ise geniş kitleleri bir araya getirmekte ve sporun endüstriyelleşmesiyle beraber alınan haz da değişmektedir. İnsan hayatında bu kadar önemli yeri olan teknoloji ve sporla birlikte sosyal medya kullanımı da spor özelinde oldukça önemli olmuştur. İnsanlar yeni iletişim teknolojileri sayesinde izlediği spor karşılaşmalarıyla ilgili düşüncelerini ve duygularını takipçileriyle paylaşma isteği duyarken ana akım medya ise tekelini ve gücünü kaybetmeye başlamıştır. Etkileşimin böylesine önemli bir unsuru olan spor, günümüzde pazarlama stratejileri açısından sosyal medyasız mümkün olmamaktadır. Televizyon izlenmesinin ve gazete okunma sayısının büyük bir hızla düştüğü son yıllarda sosyal medyanın tartışmasız yükselişi onu kurumsal iletişim stratejileri arasında birinci sıraya getirmiştir. Sadece markalar için değil, spor kulüplerinin de bu yolla taraftarlarına ve takipçilerine ulaşma amacı, olumlu geri dönüşlere neden olmaktadır. Bu yolla taraftarına çok hızlı ve anlık olarak ulaşabilen kulüpler, yaptıkları paylaşımlarla da takımlarıyla ilgili bilgileri en hızlı ve doğru şekilde paylaşmaktadır. Bu nedenle de aktif olarak sosyal medya paylaşımı yapan spor kulüpleri takipçileriyle etkileşim halinde olarak onların sadakatini daha da artırmaktadır. Bu bağlamda araştırmanın konusunu, Türkiye’deki basketbol spor kulüplerinin sosyal medya kullanımları oluşturmaktadır. Çalışmanın yöntemi ise içerik analizidir.
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引用次数: 0
TRIZ Yaklaşımı Kullanılarak Hava Araçlarındaki Mühimmat Bırakma Sistemlerinde Yenilikçi Çözüm Üretilmesi
Faik Fatih Korkmaz, Mert Subran, A. Hatipoğlu, Metin Kaya, Kemal Fidanboylu
TRIZ is an innovative problem solving technique that summarizes the solutions of past problems and helps to solve future problems in a systematic way. Nowadays, companies need to adapt to continuous change, design and manufacture fast products in order to be more efficient and productive in competitive environment and to survive in the market. TRIZ helps to solve problems faster with the tools that it offers. TRIZ, which was developed by Altshuller in 1946 and started to be used in Russia since 1950s, started to be learned and used in other countries in the early 1990s. TRIZ, which is used in various fields today, is also applied in the solution of aviation problems. Military aircrafts are usually equipped with pylons to carry munitions. Pylons are the equipment that allow the munitions carried in the military aircraft to be connected to, transported to and released from the military aircraft. The releasing mechanisms are hanger equipments which ensures that the munition carried can be safely separated from the military aircraft when required. In this study, the patents which were published in the literature about release mechanisms will be examined and certain problems in releasing mechanisms will be solved using Technical Contradictions. TRIZ solutions will be validated with existing patents and solutions for obtaining new patent ideas will be presented.
TRIZ是一种创新的问题解决技术,它总结了过去问题的解决方案,并以系统的方式帮助解决未来的问题。如今,企业需要适应不断变化,设计和制造快速的产品,以便在竞争环境中提高效率和生产力,并在市场中生存。TRIZ提供的工具可以帮助您更快地解决问题。TRIZ由Altshuller于1946年开发,20世纪50年代开始在俄罗斯使用,90年代初开始在其他国家学习和使用。TRIZ,今天被应用于各个领域,也被应用于解决航空问题。军用飞机通常配备挂架来运载弹药。挂架是允许军用飞机携带的弹药与军用飞机连接,运输和释放的设备。释放机构是一种挂架设备,它可以确保所携带的弹药在需要时可以安全地与军用飞机分离。本研究将对已发表的有关释放机制的专利文献进行分析,并利用技术矛盾来解决释放机制中的某些问题。TRIZ解决方案将与现有专利进行验证,并将展示获得新专利想法的解决方案。
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引用次数: 0
Pedestrian and Vehicles Detection with ResNet in Aerial Images 基于ResNet的航拍图像行人和车辆检测
Enes Cengiz, C. Yilmaz, H. Kahraman, F. Bayram
In today's applications, a significant increase in the use of deep learning algorithms is noticeable. The convolution neural network (CNN) of deep learning has been used frequently recently, especially for the successful discrimination of people and vehicles from other objects. Especially with the ImageNet Large Scale Visual Recognition Challenge (ILSVRC) in 2012, the use of CNNs has become widespread. With the development of technology and traditional image processing techniques, the proses of image processing has been considerably reduced, furthermore, the success rate has increased dramatically. Object detection can be difficult due to the low resolution of objects in aerial images. In this study, a system which automatically recognizes human and different types of vehicles (cars, bicycles, motorcycles) from aerial images taken with drone has been developed. In the system, Residual Networks (ResNet) model, which is the first in the ImageNet competition of the CNN been one of the deep learning techniques, is used. Google Colaboratory with Nvidia Tesla K80 GPU support is used for successful and fast training and testing of the system. In the developed system, results are explained according to different threshold values of the objects detected from the images applied to the input.
在今天的应用中,深度学习算法的使用显著增加是显而易见的。近年来,深度学习的卷积神经网络(CNN)得到了广泛的应用,特别是在人与车辆与其他物体的区分中取得了成功。特别是随着2012年ImageNet大规模视觉识别挑战赛(ILSVRC)的到来,cnn的应用变得越来越广泛。随着技术和传统图像处理技术的发展,图像处理的过程大大减少,成功率大大提高。由于航拍图像中物体的低分辨率,目标检测可能会很困难。在本研究中,开发了一种从无人机拍摄的航拍图像中自动识别人和不同类型车辆(汽车、自行车、摩托车)的系统。该系统采用了CNN ImageNet竞赛中首次采用的深度学习技术之一的残余网络(ResNet)模型。支持Nvidia Tesla K80 GPU的Google协作实验室用于系统的成功和快速培训和测试。在开发的系统中,根据从应用于输入的图像中检测到的物体的不同阈值来解释结果。
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引用次数: 5
期刊
4th International Symposium on Innovative Approaches in Engineering and Natural Sciences Proceedings
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