Search results for: light pliable structure

Authors: Prashant Parhad, Vinayak Dakre, Ajay Likhite, Jatin Bhatt

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This work mainly focuses on machinability studies of Austempered Ductile Iron (ADI). The Ductile Iron (DI) was austempered at 250 oC for different durations and the process window for austempering was established by studying the microstructure. The microstructural characterization of the material was done using optical microscopy, SEM and XRD. The samples austempered as per the process window were then subjected to turning using a TiAlN-coated tungsten carbide insert to study the effect of cutting parameters, namely the cutting speed and the depth of cut. The effect was investigated in terms of cutting forces required as well as the surface roughness obtained. The turning was conducted on a CNC turning machine and primary (Fx), radial (Fy) and feed (Fz) cutting forces were quantified with a three-component dynamometer. It was observed that the magnitude of radial force was more than that of primary cutting force for all cutting speed and for various depths of cut studied. It has also been seen that increasing the cutting speed improves the surface quality. The observed machinability behaviour was investigated in light of the microstructure of the material obtained under the given austempering conditions and a structure-property- co-relation was established between the two. For all cutting speed and depth of cut, the best machining response in terms of cutting forces and surface quality was obtained towards the centre of process window.

Keywords: process window, cutting speed, depth of cut, surface roughness

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Authors: Shashank. S. Bagane, H. N. Rajendra Prasad

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Building Information Modeling (BIM) has currently developed into a potent solution. The consistent development of BIM technology in the sphere of Architecture, Engineering, and Construction (AEC) industry has enhanced the effectiveness of construction and decision making. However, aggrandized global warming and energy crisis has impacted on building energy analysis. It is now becoming an important factor to be considered in the AEC industry. Amalgamating energy analysis in the planning and design phase of a structure has become a necessity. In the current construction industry, estimating energy usage and reducing its footprint is of high priority. The construction industry is giving more prominence to sustainability alongside energy efficiency. This demand is compelling the designers, planners, and engineers to inspect the sustainable performance throughout the building's life cycle. The current study primarily focuses on energy consumption, space arrangement, and spatial geometry of a residential building. Most commonly residential structures in India are constructed considering Vastu Shastra. Vastu designs are intended to integrate architecture with nature and utilizing geometric patterns, symmetry, and directional alignments. In the current study, a residential brick masonry structure is considered for BIM analysis, Architectural model of the structure will be created using Revit software, later the orientation and spatial arrangement will be finalized based on Vastu principles. Furthermore, the structure will be investigated for the impact of building orientation and spatial arrangements on energy using Green Building Studio software. Based on the BIM analysis of the structure, energy consumption of subsequent building orientations will be understood. A well-orientated building having good spatial arrangement can save a considerable amount of energy throughout its life cycle and reduces the need for heating and lighting which will prove to diminish energy usage and improve the energy efficiency of the residential building.

Keywords: building information modeling, energy impact, spatial geometry, vastu

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Authors: Lele Zhang, Hui Leng Choo, Alexander Konyukhov, Shuguang Li

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China is currently the world's largest producer and distributor of electric bicycle (e-bike). The increasing number of e-bikes on the road is accompanied by rising injuries and even deaths of e-bike drivers. Therefore, there is a growing need to improve the safety structure of e-bikes. This 3D frictionless contact analysis is a preliminary, but necessary work for further structural design improvement of an e-bike. The contact analysis between e-bike and the ground was carried out as follows: firstly, the Penalty method was illustrated and derived from the simplest spring-mass system. This is one of the most common methods to satisfy the frictionless contact case; secondly, ANSYS static analysis was carried out to verify finite element (FE) models with contact pair (without friction) between e-bike and the ground; finally, ANSYS transient analysis was used to obtain the data of the penetration p(u) of e-bike with respect to the ground. Results obtained from the simulation are as estimated by comparing with that from theoretical method. In the future, protective shell will be designed following the stability criteria and added to the frame of e-bike. Simulation of side falling of the improved safety structure of e-bike will be confirmed with experimental data.

Keywords: frictionless contact, penalty method, e-bike, finite element

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Authors: Ajay Kumar Pandey, Mayank Kumar

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White grub (Coleoptera: Scarabaeidae) is a major destructive pest in western Himalayan region of Uttarakhand. Beetles feed on apple, apricot, plum, walnut etc. during night while, second and third instar grubs feed on live roots of cultivated as well as non-cultivated crops. Collection and identification of scarab beetles through light trap was carried out at Crop Research Centre, Govind Ballab Pant University Pantnagar, Udham Singh Nagar (Uttarakhand) during 2018. Field trials were also conducted in 2018 to evaluate pre and post sown application of different insecticides against the white grub infesting soybean. The insecticides like Carbofuran 3 Granule (G) (750 g a.i./ha), Clothianidin 50 Water Dispersal Granule (WG) (120 g a.i./ha), Fipronil 0.3 G (50 g a.i./ha), Thiamethoxam 25 WG (80 g a.i./ha), Imidacloprid 70 WG (300 g a.i./ha), Chlorantraniliprole 0.4% G(100 g a.i./ha) and mixture of Fipronil 40% and Imidacloprid 40% WG (300 g a.i./ha) were applied at the time of sowing in pre sown experiment while same dosage of insecticides were applied in standing soybean crop during (first fortnight of July). Commutative plant mortality data were recorded after 20, 40, 60 days intervals and compared with untreated control. Total 23 species of white grub beetles recorded on the light trap and Holotrichia serrata Fabricious (Coleoptera: Melolonthinae) was found to be predominant species by recording 20.6% relative abundance out of the total light trap catch (i.e. 1316 beetles) followed by Phyllognathus sp. (14.6% relative abundance). H. rosettae and Heteronychus lioderus occupied third and fourth rank with 11.85% and 9.65% relative abundance, respectively. The emergence of beetles of predominant species started from 15th March, 2018. In April, average light trap catch was 382 white grub beetles, however, peak emergence of most of the white grub species was observed from June to July, 2018 i.e. 336 beetles in June followed by 303 beetles in the July. On the basis of the emergence pattern of white grub beetles, it may be concluded that the Peak Emergence Period (PEP) for the beetles of H. serrata was second fortnight of April for the total period of 15 days. In May, June and July relatively low population of H. serrata was observed. A decreasing trend in light trap catch was observed and went on till September during the study. No single beetle of H. serrata was observed on light trap from September onwards. The cumulative plant mortality data in both the experiments revealed that all the insecticidal treatments were significantly superior in protection-wise (6.49-16.82% cumulative plant mortality) over untreated control where highest plant mortality was 17.28 to 39.65% during study. The mixture of Fipronil 40% and Imidacloprid 40% WG applied at the rate of 300 g a.i. per ha proved to be most effective having lowest plant mortality i.e. 9.29 and 10.94% in pre and post sown crop, followed by Clothianidin 50 WG (120 g a.i. per ha) where the plant mortality was 10.57 and 11.93% in pre and post sown treatments, respectively. Both treatments were found significantly at par among each other. Production-wise, all the insecticidal treatments were found statistically superior (15.00-24.66 q per ha grain yields) over untreated control where the grain yield was 8.25 & 9.13 q per ha. Treatment Fipronil 40% + Imidacloprid 40% WG applied at the rate of 300 g a.i. per ha proved to be most effective and significantly superior over Imidacloprid 70WG applied at the rate of 300 g a.i. per ha.

Keywords: bio efficacy, insecticide, soybean, white grub

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Authors: Sweta Iyer, Nemeshwaree Behary, Jinping Guan, Guoqiang Chen, Vincent Nierstrasz

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Flavin mononucleotide widely known as 'FMN' is a biobased resource derived from riboflavin. The isoalloxazine ring present in the FMN molecule attributes the photoluminescence phenomenon, whereas FMN molecule in the presence of bacterial luciferase enzyme and co-factors such as NADH, long chain aldehyde leads to bioluminescence reaction. In this study, the FMN molecule was treated on cellulosic textile using chromojet technique and the photoluminescence property was characterized using spectroscopy technique. Further, the FMN was used as a substrate along with enzymes and co-factors to treat the non-woven textile, and the bioluminescence property was explored using luminometer equipment. The investigation revealed photoluminescence property on cellulosic textile, and the emission peak was observed at a wavelength around 530 nm with an average corrected spectral intensity of 10×106 CPS/Microamps. In addition, the measurement of nonwoven textile using bioluminescence reaction system exhibited light intensity measured in the form of relative light units (RLU). The study enabled to explore the use of FMN as both photoluminescent and bioluminescent textile. Further investigation would require for stability study of the same to provide an eco-efficient approach to obtain luminescent textile.

Keywords: flavin mononucleotide, photoluminescence, bioluminescence, luminescent textile

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Authors: Oluremi I. Bamgbade, Oluwayomi Babatunde

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Governments and nonprofits have been in the support of sustainability as the goal of businesses especially in the construction industry because of its considerable impacts on the environment, economy, and society. However, to measure the degree to which an organisation is being sustainable or pursuing sustainable growth can be difficult as a result of the clear sustainability strategy required to assume their commitment to the goal and competitive advantage. This research investigated the influence of organisational culture and organisational structure in achieving sustainable construction among South African construction firms. A total of 132 consultants from the nine provinces in South Africa participated in the survey. The data collected were initially screened using SPSS (version 21) while Partial Least Squares Structural Equation Modeling (PLS-SEM) algorithm and bootstrap techniques were employed to test the hypothesised paths. The empirical evidence also supported the hypothesised direct effects of organisational culture and organisational structure on sustainable construction. Similarly, the result regarding the relationship between organisational culture and organisational structure was supported. Therefore, construction industry can record a considerable level of construction sustainability and establish suitable cultures and structures within the construction organisations. Drawing upon organisational control theory, these findings supported the view that these organisational internal factors have a strong contingent effect on sustainability adoption in construction project execution. The paper makes theoretical, practical and methodological contributions within the domain of sustainable construction especially in the context of South Africa. Some limitations of the study are indicated, suggesting opportunities for future research.

Keywords: organisational culture, organisational structure, South African construction firms, sustainable construction

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Authors: R. Furutani, K. Ishii

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Laser interferometers are now widely used for length and displacement measurement. In conventional methods, the optical path difference between two mirrors, one of which is a reference mirror and the other is a target mirror, is measured, as in Michelson interferometry, or two target mirrors are set up and the optical path difference between the two targets is measured, as in differential interferometry. In these interferometers, the two laser beams pass through different optical elements so that the measurement result is affected by the vibration and other effects in the optical paths. In addition, it is difficult to measure the roll angle around the optical axis. The proposed interferometer simultaneously measures both the translational motion along the optical axis and the roll motion around it by combining the retroreflective principle of the ball lens (BL) and the polarization. This interferometer detects the interferogram by the two beams traveling along the identical optical path from the beam source to BL. This principle is expected to reduce external influences by using the interferogram between the two lasers in an identical optical path. The proposed interferometer uses a BL so that the reflected light from the lens travels on the identical optical path as the incident light. After reaching the aperture of the He-Ne laser oscillator, the reflected light is reflected by a mirror with a very high reflectivity installed in the aperture and is irradiated back toward the BL. Both the first laser beam that enters the BL and the second laser beam that enters the BL after the round trip interferes with each other, enabling the measurement of displacement along the optical axis. In addition, for the measurement of the roll motion, a quarter-wave plate is installed on the optical path to change the polarization state of the laser. The polarization states of the first laser beam and second laser beam are different by the roll angle of the target. As a result, this system can measure the displacement and the roll angle of BL simultaneously. It was verified by the simulation and the experiment that the proposed optical system could measure the displacement and the roll angle simultaneously.

Keywords: common path interferometer, displacement measurement, laser interferometer, simultaneous measurement, roll angle measurement

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Authors: Soon Ok Jo, Han Kyu Jeung, Si Woo Park

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With the process of consistent expansion of carbon fiber in width (Carbon Fiber Tow Spreading Technique), it can be expected that such process can enhance the production of carbon fiber reinforced composite material and quality of the product. In this research, the method of mechanically expanding carbon fiber and increasing its width was investigated by using various geometric rolls. In addition, experimental type of carbon fiber expansion device was developed and tested using 12K carbon fiber. As a result, the effects of expansion of such fiber under optimized operating conditions and geometric structure of an elliptical roll, were analyzed.

Keywords: carbon fiber, tow spreading fiber, pre-preg, roll structure

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Authors: Mengmeng Du, Noboru Noguchi, Hiroshi Okamoto, Noriko Kobayashi

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This paper introduced a topographic mapping system with time-saving and simplicity advantages based on integration of Light Detection and Ranging (LiDAR) data and Post Processing Kinematic Global Positioning System (PPK GPS) data. This topographic mapping system used a low-altitude Unmanned Aerial Vehicle (UAV) as a platform to conduct land survey in a low-cost, efficient, and totally autonomous manner. An experiment in a small-scale sugarcane farmland was conducted in Queensland, Australia. Subsequently, we synchronized LiDAR distance measurements that were corrected by using attitude information from gyroscope with PPK GPS coordinates for generation of precision topographic maps, which could be further utilized for such applications like precise land leveling and drainage management. The results indicated that LiDAR distance measurements and PPK GPS altitude reached good accuracy of less than 0.015 m.

Keywords: land survey, light detection and ranging, post processing kinematic global positioning system, precision agriculture, topographic map, unmanned aerial vehicle

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Authors: Gamze Fahriye Pehlivan, Tulay Canitez

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The traditional Turkish houses becoming unusable are a result of the deterioration of the balanced interaction between users and house (human and house) continuing during the history. Especially depending upon the change in social structure, the houses becoming neglected do not meet the desires of the users and do not have the meaning but the shelter are becoming unusable and are being destroyed. A conservation policy should be developed and renovations should be made in order to pass the traditional houses carrying the quality of a cultural and historical document presenting the social structure, the lifestyle and the traditions of its own age to the next generations and to keep them alive.

Keywords: house, social structural change, social structural, traditional Turkish houses

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Authors: M. Afshin, A. Sohankar, M. Dehghan Manshadi, M. R. Daneshgar, G. R. Dehghan Kamaragi

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In this paper, the influence of an upstream structure on the flow pattern within and around the wind-catcher is experimentally investigated by smoke flow visualization techniques. Wind-catchers are an important part of natural ventilation in residential buildings or public places such as shopping centers, libraries, etc. Wind-catchers might be also used in places of high urban densities; hence their potential to provide natural ventilation in this case is dependent on the presence of upstream objects. In this study, the two-sided wind-catcher model was based on a real wind-catcher observed in the city of Yazd, Iran. The present study focuses on the flow patterns inside and outside the isolated two-sided wind-catcher, and on a two-sided wind-catcher in the presence of an upstream structure. The results show that the presence of an upstream structure influences the airflow pattern force and direction. Placing a high upstream object reverses the airflow direction inside the wind-catcher.

Keywords: natural ventilation, smoke flow visualization, two-sided wind-catcher, flow patterns

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Authors: Li Cheng, Zhang Yilei, Cohen Yehuda

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Two motility mechanisms were introduced into iDynoMiCs software, which adopts an individual-based modeling method. Based on the new capabilities, along with the pressure motility developed before, influence of bacterial motility on biofilm formation was studied. Simulation results were evaluated both qualitatively through 3D structure inspections and quantitatively by parameter characterizations. It was showed that twitching motility increased the biofilm surface irregularity probably due to movement of cells towards higher nutrient concentration location whereas free motility, on the other hand, could make biofilms flatter and smoother relatively. Pressure motility showed no significant influence in this study.

Keywords: iDynoMics, biofilm structure, bacterial motility, motility mechanisms

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Authors: J. Scott Kenney

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Not all pain is created equal. In recent decades, the concept of Illegitimate pain has begun to shed light on the phenomena of emotional and physical pain that is misunderstood, neglected, or stigmatized, broadly conceptualized along dimensions of relative legitimation and physicality. Yet, beyond a pioneering study of the suffering of closeted LGBTQ + individuals, along with an analysis of the pains experienced by students at a religious boarding school, there has been insufficient attention to what lies behind such marginalized suffering beyond the original claim that it relates to broad interpretive standards and structured power relations, mediated through interaction in various groups/settings. This paper seeks to delve theoretically into this underdeveloped terrain. Building on earlier work, it takes direct aim at the definitional aspect that lies analytically prior to such matters, theoretically unpacking the role of ideology. Following a general introduction focused on theoretical relationships between social structure, power, and ideas, the paper reviews a range of sociological literature on relevant matters. After condensing the insights from these various literatures into a series of theoretical statements, the paper analytically engages with these to articulate a series of theoretical and methodological elaborations intended to practically assist researchers in empirically examining such matters in today's complex social environment.

Keywords: deviance, ideology, illegitimate pain, social theory, victimization

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Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy

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Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.

Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids

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Authors: Elif Tugce Aksun Tumerkan, Chris Lowe, Hannah Krupa

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Fluorescent proteins are self-sufficient in forming chromophores with a visible wavelength from 3 amino acids sequence within their own polypeptide structure. This chromophore – a molecule that absorbs a photon of light and exhibits an energy transition equal to the energy of the absorbed photon. Fluorescent proteins (FPs) consisted of a chain of 238 amino acid residues and composed of 11 beta strands shaped in a cylinder surrounding an alpha helix structure. A better understanding of the system of the chromospheres and the increasing advance in protein engineering in recent years, the properties of FPs offers the potential for new applications. They have used sensors and probes in molecular biology and cell-based research that giving a chance to observe these FPs tagged cell localization, structural variation and movement. For clarifying functional uses of fluorescent proteins, electrophoretic properties of these proteins are one of the most important parameters. Sodium dodecyl sulphate polyacrylamide gel electrophoresis (SDS-PAGE) analysis is used for determining electrophoretic properties commonly. While there are many techniques are used for determining the functionality of protein-based research, SDS-PAGE analysis can only provide a molecular level assessment of the proteolytic fragments. Before SDS-PAGE analysis, fluorescent proteins need to successfully purified. Due to directly purification of the target, FPs is difficult from the animal, gene expression is commonly used which must be done by transformation with the plasmid. Furthermore, used gel within electrophoresis and staining agents properties have a key role. In this review, the different factors that have the impact on the electrophoretic properties of fluorescent proteins explored. Fluorescent protein separation and purification are the essential steps before electrophoresis that should be done very carefully. For protein purification, gene expression process and following steps have a significant function. For successful gene expression, the properties of selected bacteria for expression, used plasmid are essential. Each bacteria has own characteristics which are very sensitive to gene expression, also used procedure is the important factor for fluorescent protein expression. Another important factors are gel formula and used staining agents. Gel formula has an effect on the specific proteins mobilization and staining with correct agents is a key step for visualization of electrophoretic bands of protein. Visuality of proteins can be changed depending on staining reagents. Apparently, this review has emphasized that gene expression and purification have a stronger effect than electrophoresis protocol and staining agents.

Keywords: cell biology, gene expression, staining agents, SDS-page

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Authors: Yibin Qiu, Yubo Ouyang, Shihan Li, Guorui Zhang, Qi Li, Weirong Chen

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This paper aims at exploring the impacts of high dimensional dependencies of wind speed among wind farms on probabilistic optimal power flow. To obtain the reactive power optimization faster and more accurately, a mixture vine Copula structure model combining the K-means clustering, C vine copula and D vine copula is proposed in this paper, through which a more accurate correlation model can be obtained. Moreover, a Modified Backtracking Search Algorithm (MBSA), the three-point estimate method is applied to probabilistic optimal power flow. The validity of the mixture vine copula structure model and the MBSA are respectively tested in IEEE30 node system with measured data of 3 adjacent wind farms in a certain area, and the results indicate effectiveness of these methods.

Keywords: mixture vine copula structure model, three-point estimate method, the probability integral transform, modified backtracking search algorithm, reactive power optimization

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Authors: Insaf Bellamine, Hamid Tairi

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Detecting moving objects in sequences is an essential step for video analysis. This paper mainly contributes to the Color Space-Time Interest Points (CSTIP) extraction and detection. We propose a new method for detection of moving objects. Two main steps compose the proposed method. First, we suggest to apply the algorithm of the detection of Color Space-Time Interest Points (CSTIP) on both components of the Color Structure-Texture Image Decomposition which is based on a Partial Differential Equation (PDE): a color geometric structure component and a color texture component. A descriptor is associated to each of these points. In a second stage, we address the problem of grouping the points (CSTIP) into clusters. Experiments and comparison to other motion detection methods on challenging sequences show the performance of the proposed method and its utility for video analysis. Experimental results are obtained from very different types of videos, namely sport videos and animation movies.

Keywords: Color Space-Time Interest Points (CSTIP), Color Structure-Texture Image Decomposition, Motion Detection, clustering

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Authors: Hamad R. Jappor, Zeyad Adnan Saleh, Mudar A. Abdulsattar

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The ab initio restricted Hartree-Fock method is used to simulate the electronic structure of indium phosphide (InP) nanocrystals (NCs) (216-738 atoms) with sizes ranging up to about 2.5 nm in diameter. The calculations are divided into two parts, surface, and core. The oxygenated (001)-(1×1) facet that expands with larger sizes of nanocrystals is investigated to determine the rule of the surface in nanocrystals electronic structure. Results show that lattice constant and ionicity of the core part show decreasing order as nanocrystals grow up in size. The smallest investigated nanocrystal is 1.6% larger in lattice constant and 131.05% larger in ionicity than the converged value of largest investigated nanocrystal. Increasing nanocrystals size also resulted in an increase of core cohesive energy (absolute value), increase of core energy gap, and increase of core valence. The surface states are found mostly non-degenerated because of the effect of surface discontinuity and oxygen atoms. Valence bandwidth is wider on the surface due to splitting and oxygen atoms. The method also shows fluctuations in the converged energy gap, valence bandwidth and cohesive energy of core part of nanocrystals duo to shape variation. The present work suggests the addition of ionicity and lattice constant to the quantities that are affected by quantum confinement phenomenon. The method of the present model has threefold results; it can be used to approach the electronic structure of crystals bulk, surface, and nanocrystals.

Keywords: InP, nanocrystals core, ionicity, Hartree-Fock method, large unit cell

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Authors: Lishuang Ma

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Charge transfer (CT) complex, also known as Electron donor-acceptor (EDA) complex, has received attentions increasingly in the field of synthetic chemistry community, due to the CT complex can absorb the visible light through the intermolecular charge transfer excited states, various of catalyst-free photochemical transformations under mild visible-light conditions. However, a number of fundamental questions are still ambiguous, such as the origin of visible light absorption, the photochemical and photophysical properties of the CT complex, as well as the detailed mechanism of the radical coupling pathways mediated by CT complex. Since these are critical factors for target-specific design and synthesis of more new-type CT complexes. To this end, theoretical investigations were performed in our group to answer these questions based on multiconfigurational perturbation theory. The photo-induced fluoroalkylation reactions are mediated by CT complexes, which are formed by the association of an acceptor of perfluoroalkyl halides RF−X (X = Br, I) and a suitable donor molecule such as β-naphtholate anion, were chosen as a paradigm example in this work. First, spectrum simulations were carried out by both CASPT2//CASSCF/PCM and TD-DFT/PCM methods. The computational results showed that the broadening spectra in visible light range (360-550nm) of the CT complexes originate from the 1(σπ*) excitation, accompanied by an intermolecular electron transfer, which was also found closely related to the aggregate states of the donor and acceptor. Moreover, from charge translocation analysis, the CT complex that showed larger charge transfer in the round state would exhibit smaller charge transfer in excited stated of 1(σπ*), causing blue shift relatively. Then, the excited-state potential energy surface (PES) was calculated at CASPT2//CASSCF(12,10)/ PCM level of theory to explore the photophysical properties of the CT complexes. The photo-induced C-X (X=I, Br) bond cleavage was found to occur in the triplet state, which is accessible through a fast intersystem crossing (ISC) process that is controlled by the strong spin-orbit coupling resulting from the heavy iodine and bromine atoms. Importantly, this rapid fragmentation process can compete and suppress the backward electron transfer (BET) event, facilitating the subsequent effective photochemical transformations. Finally, the reaction pathways of the radical coupling were also inspected, which showed that the radical chain propagation pathway could easy to accomplish with a small energy barrier no more than 3.0 kcal/mol, which is the key factor that promote the efficiency of the photochemical reactions induced by CT complexes. In conclusion, theoretical investigations were performed to explore the photophysical and photochemical properties of the CT complexes, as well as the mechanism of radical coupling reactions mediated by CT complex. The computational results and findings in this work can provide some critical insights into mechanism-based design for more new-type EDA complexes

Keywords: charge transfer complex, electron transfer, multiconfigurational perturbation theory, radical coupling

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Authors: Dmitry V. Fomichev, Vladimir I. Solonin

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In this paper, experimental and numerical study of hydrodynamic characteristics of the air coolant flow in the test wire-wrapped assembly is presented. The test assembly has 37 rods, which are similar to the real fuel pins of the BREST-OD-300 fuel assemblies geometrically. Air open loop test facility installed at the “Nuclear Power Plants and Installations” department of BMSTU was used to obtain the experimental data. The obtaining altitudinal distribution of static pressure in the near-wall test assembly as well as velocity and temperature distribution of coolant flow in the test sections can give us some new knowledge about the mechanism of formation of the turbulence flow structure in the wire wrapped fuel assemblies. Numerical simulations of the turbulence flow has been accomplished using ANSYS Fluent 14.5. Different non-local turbulence models have been considered, such as standard and RNG k-e models and k-w SST model. Results of numerical simulations of the flow based on the considered turbulence models give the best agreement with the experimental data and help us to carry out strong analysis of flow characteristics.

Keywords: wire-spaces fuel assembly, turbulent flow structure, computation fluid dynamics

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Authors: Z. Ansari, M. R. M. Rejab, D. Bachtiar, J. P. Siregar

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This study focus on the compression and tensile properties of new and recycle square honeycombs structure from sugar palm fibre (SPF) and polylactic acid (PLA) composite. The end data will determine the failure strength and energy absorption for both new and recycle composite. The control SPF specimens were fabricated from short fibre co-mingled with PLA by using a bra-blender set at 180°C and 50 rpm consecutively. The mixture of 30% fibre and 70% PLA were later on the hot press at 180°C into sheets with thickness 3mm consecutively before being assembled into a sandwich honeycomb structure. An INSTRON tensile machine and Abaqus 6.13 software were used for mechanical test and finite element simulation. The percentage of error from the simulation and experiment data was 9.20% and 9.17% for both new and recycled product. The small error of percentages was acceptable due to the nature of the simulation model to be assumed as a perfect model with no imperfect geometries. The energy absorption value from new to recycled product decrease from 312.86kJ to 282.10kJ. With this small decrements, it is still possible to implement a recycle SPF/PLA composite into everyday usages such as a car's interior or a small size furniture.

Keywords: failure modes, numerical modelling, polylactic acid, sugar palm fibres

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Authors: N. S. Vassilieva-Vashakmadze, R. A. Gakhokidze, I. M. Khachatryan

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In the first part of the paper it is shown that both the depolarization of the cytoplasmic membrane of rods observed in invertebrates and hyperpolarization characteristic of vertebrates on the light may activate the functioning of ion (Na+) channels of cytoplasmic membrane of rods and thus provide the emergence of nerve impulse and its transfer to the neighboring neuron etc. In the second part, using the quantum mechanical program for modeling of the molecular processes, we got a clear picture demonstrating the effect of charged phosphate groups on the protein components of α-helical subunits of the visual rhodopsin receptor. The analysis shows that the phosphorylation of terminal amino acid of seventh α-helical subunits of the visual rhodopsin causes a redistribution of electron density on the atoms, i.e. polarization of subunits, also the changing the configuration of the nuclear subsystem, which corresponds to the deformation process in the molecule. Based on the use of models it can be concluded that this system has an internal relationship between polarization and deformation processes that indicates on the allosteric effect. The allosteric effect is based on quantum-mechanical principle of the self-consistency of the molecules.

Keywords: membrane potential, ion channels, visual rhodopsin, allosteric effect

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Authors: Liu Junzhu

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In contemporary China,city is expanding with an amazing speed. And because of the unexpected events’ interference, spatial structure could change itself in a short time, That will lead to the new urban district livingness and unfortunately, this phenomenon is very common.On the one hand,it fail to achieve the goal of city planning, On the other hand,it is unfavourable to the sustainable development of city. Bill Hillier’stheory Space Syntax shows organzation pattern of each space,it explains the characteristics of urban spatial patterns and its transformation regulation from the point of self-organization in system and also, it gives confirmatory and predictive ways to the building and city. This paper used axial model to summarize Hangzhou City’s special structure and enhanced comprehensive understanding of macroscopic space and environment, space structure,developing trend, ect, by computer analysis of Space Syntax. From that, it helps us to know the operation law in the urban system and to understand Hangzhou City’s spatial pattern and indirect social effect it has mad more clearly, Thus, it could comply with the tendency of cities development in process and planning of policy and plan our cities’ future sustainably.

Keywords: sustainable urban design, space syntax, spatial network, segment angular analysis, social inclusion

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Authors: Mohsen Hababalahi, Morteza Bastami

Abstract:

Buried pipeline damage correlations are critical part of loss estimation procedures applied to lifelines for future earthquakes. The vulnerability of buried pipelines against earthquake and liquefaction has been observed during some of previous earthquakes and there are a lot of comprehensive reports about this event. One of the main reasons for impairment of buried pipelines during earthquake is liquefaction. Necessary conditions for this phenomenon are loose sandy soil, saturation of soil layer and earthquake intensity. Because of this fact that pipelines structure are very different from other structures (being long and having light mass) by paying attention to the results of previous earthquakes and compare them with other structures, it is obvious that the danger of liquefaction for buried pipelines is not high risked, unless effective parameters like earthquake intensity and non-dense soil and other factors be high. Recent liquefaction researches for buried pipeline include experimental and theoretical ones as well as damage investigations during actual earthquakes. The damage investigations have revealed that a damage ratio of pipelines (Number/km ) has much larger values in liquefied grounds compared with one in shaking grounds without liquefaction according to damage statistics during past severe earthquakes, and that damages of joints and pipelines connected with manholes were remarkable. The purpose of this research is numerical study of buried pipelines under the effect of liquefaction by case study of the 2013 Dashti (Iran) earthquake. Water supply and electrical distribution systems of this township interrupted during earthquake and water transmission pipelines were damaged severely due to occurrence of liquefaction. The model consists of a polyethylene pipeline with 100 meters length and 0.8 meter diameter which is covered by light sandy soil and the depth of burial is 2.5 meters from surface. Since finite element method is used relatively successfully in order to solve geotechnical problems, we used this method for numerical analysis. For evaluating this case, some information like geotechnical information, classification of earthquakes levels, determining the effective parameters in probability of liquefaction, three dimensional numerical finite element modeling of interaction between soil and pipelines are necessary. The results of this study on buried pipelines indicate that the effect of liquefaction is function of pipe diameter, type of soil, and peak ground acceleration. There is a clear increase in percentage of damage with increasing the liquefaction severity. The results indicate that although in this form of the analysis, the damage is always associated to a certain pipe material, but the nominally defined “failures” include by failures of particular components (joints, connections, fire hydrant details, crossovers, laterals) rather than material failures. At the end, there are some retrofit suggestions in order to decrease the risk of liquefaction on buried pipelines.

Keywords: liquefaction, buried pipelines, lifelines, earthquake, finite element method

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Authors: Yichao Lv, Minmin Cai, Yanqiang Tao, Xinyuan Zou, Chao Zhang, Xiangping Liu

Abstract:

Objective: This study aims to explore the network structure of personality traits and mental health and identify key factors for effective intervention strategies. Methods: All participants (N = 6,067; 3,368 females) underwent the Eysenck Personality Scale (EPQ) to measure personality traits and the Symptom Self-rating Scale (SCL-90) to measure psychiatric symptoms. Using the mean value of the SCL-90 total score plus one standard deviation as the cutoff, 854 participants (14.08%; 528 females) were categorized as individuals exhibiting potential psychological symptoms and were included in the follow-up network analysis. The structure and bridge centrality of the network for dimensions of EPQ and SCL-90 were estimated. Results: Between the EPQ and SCL-90, psychoticism (P), extraversion (E), and neuroticism (N) showed the strongest positive correlations with somatization (Som), interpersonal sensitivity (IS), and hostility (Hos), respectively. Extraversion (E), somatization (Som), and anxiety (Anx) were identified as the most important bridge factors influencing the overall network. Conclusions: This study explored the network structure and complex connections between mental health and personality traits from a network perspective, providing potential targets for intervening in adolescent personality traits and mental health.

Keywords: EPQ, SCL-90, Chinese adolescents, network analysis

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Authors: B. Kahouadji, L. Guerbous, L. Lamiri, A. Mendoud

Abstract:

Recently, nanomaterials are developed in the form of nano-films, nano-crystals and nano-pores. Lanthanide phosphates as a material find extensive application as laser, ceramic, sensor, phosphor, and also in optoelectronics, medical and biological labels, solar cells and light sources. Among the different kinds of rare-earth orthophosphates, yttrium orthophosphate has been shown to be an efficient host lattice for rare earth activator ions, which have become a research focus because of their important role in the field of light display systems, lasers, and optoelectronic devices. It is in this context that the 4fn- « 4fn-1 5d transitions of rare earth in insulating materials, lying in the UV and VUV, are the aim of large number of studies .Though there has been a few reports on Eu3+, Nd3+, Pr3+,Er3+, Ce3+, Tm3+ doped YPO4. The 4fn- « 4fn-1 5d transitions of the rare earth dependent to the host-matrix, several matrices ions were used to study these transitions, in this work we are suggesting to study on a very specific class of inorganic material that are orthophosphate doped with rare earth ions. This study focused on the effect of Ce3+ concentration on the structural and optical properties of Ce3+ doped YPO4 yttrium orthophosphate with powder form prepared by the Sol Gel method.

Keywords: YPO4, Ce3+, 4fn- <->4fn-1 5d transitions, scintillator

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Authors: Carlos F. Sanz-Navarro, Sonia Fereres

Abstract:

Binary and ternary mixtures of molten salts are excellent thermal energy storage systems and have been widely used in commercial tanks both in nuclear and solar thermal applications. However, the energy density of the commercially used mixtures is still insufficient, and therefore, new systems based on latent heat storage (or phase change materials, PCM) are currently being investigated. In order to shed some light on the macroscopic physical properties of the molten salt phases, knowledge of the microscopic structure and dynamics is required. Several molecular dynamics (MD) simulations have been performed to model the thermal behavior of (Li,K)2CO3 mixtures. Up to this date, this particular molten salt mixture has not been extensively studied but it is of fundamental interest for understanding the behavior of other commercial salts. Molten salt diffusivities, the internal electrical ion mobility, and the physical properties of the solid-liquid phase transition have been calculated and compared to available data from literature. The effect of anion polarization and the application of a strong external electric field have also been investigated. The influence of electrical ion mobility on local composition is explained through the Chemla effect, well known in electrochemistry. These results open a new way to design optimal high temperature energy storage materials.

Keywords: atomistic simulations, thermal storage, latent heat, molten salt, ion mobility

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Authors: Bao Liu, Maarten Vanierschot, Frank Buysschaert

Abstract:

The present work examines the wake dynamics of a rim-driven thruster (RDT) with Computational Fluid Dynamics (CFD). Unsteady Reynolds-averaged Navier-Stokes (URANS) equations were solved in the commercial solver ANSYS Fluent in combination with the SST k-ω turbulence model. The application of the moving reference frame (MRF) and sliding mesh (SM) approach to handling the rotational movement of the propeller were compared in the transient simulations. Validation and verification of the numerical model was performed to ensure numerical accuracy. Two representative scenarios were considered, i.e., the bollard condition (J=0) and a very light loading condition(J=0.7), respectively. From the results, it’s confirmed that compared to the SM method, the MRF method is not suitable for resolving the unsteady flow features as it only gives the general mean flow but smooths out lots of characteristic details in the flow field. By evaluating the simulation results with the SM technique, the instantaneous wake flow field under both conditions is presented and analyzed, most notably the helical vortex structure. It’s observed from the results that the tip vortices, blade shed vortices, and hub vortices are present in the wake flow field and convect downstream in a highly non-linear way. The shear layer vortices shedding from the duct displayed a strong interaction with the distorted tip vortices in an irregularmanner.

Keywords: computational fluid dynamics, rim-driven thruster, sliding mesh, wake dynamics

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Authors: Amal Maazoun, Abderrazak Mezghani, Ali Ben Moussa

Abstract:

Aerogel consists of a ramified and inter-connected solid skeleton enclosing a very important number of nano-sized pores filled with air that occupies most of the volume and makes very low density. The thermal conductivity of this material can reach lower values than those of any other material, and it changes with the type of the aerogel and its composition. So, in order to explain the causes of the super-insulation of our material and to determine the factors in which depends on its conductivity we used a numerical simulation. We have developed a numerical code that generates random fractal structure of silica aerogel with pre-defined concentration, properties of the backbone and the gas in the pores as well as the size of the particles. The calculation of the conductivity at any point of domain shows that it is not constant and that it depends on the pore size and the location in the pore. A numerical method based on resolution by inversion of block tridiagonal matrices is used to calculate the equivalent thermal conductivity of the whole fractal structure. The average conductivity calculated for each concentration is in good agreement with those of typical aerogels. And we found that the equivalent thermal conductivity of a silica aerogel depends strongly not only on the porosity but also on the tortuosity of the solid backbone.

Keywords: aerogel, fractal structure, numerical study, porous media, thermal conductivity

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Authors: Paolo Boscaro, Vasile Hulea, François Fajula, Francis Luck, Anne Galarneau

Abstract:

TiO2 based monoliths with hierarchical macropores and mesopores have been synthesized following a novel one pot sol-gel synthesis method. Taking advantage of spinodal separation that occurs between titanium isopropoxide and an acidic solution in presence of polyethylene oxide polymer, monoliths with homogeneous interconnected macropres of 3 μm in diameter and mesopores of ca. 6 nm (surface area 150 m2/g) are obtained. Furthermore, these monoliths present some carbon and nitrogen (as shown by XPS and elemental analysis), which considerably reduce titanium oxide energy gap and enable light to be absorbed up to 700 nm wavelength. XRD shows that anatase is the dominant phase with a small amount of brookite. Enhanced light absorption and high porosity of the monoliths are responsible for a remarkable photocatalytic activity. Wastewater treatment has been performed in closed reactor under sunlight using orange G dye as target molecule. Glass reactors guarantee that most of UV radiations (to almost 300 nm) of solar spectrum are excluded. TiO2 nanoparticles P25 (usually used in photocatalysis under UV) and un-doped TiO2 monoliths with similar porosity were used as comparison. C,N-doped TiO2 monolith allowed a complete colorant degradation in less than 1 hour, whereas 10 h are necessary for 40% colorant degradation with P25 and un-doped monolith. Experiment performed in the dark shows that only 3% of molecules have been adsorbed in the C,N-doped TiO2 monolith within 1 hour. The much higher efficiency of C,N-doped TiO2 monolith in comparison to P25 and un-doped monolith, proves that doping TiO2 is an essential issue and that nitrogen and carbon are effective dopants. Monoliths offer multiples advantages in respect to nanometric powders: sample can be easily removed from batch (no needs to filter or to centrifuge). Moreover flow reactions can be set up with cylindrical or flat monoliths by simple sheathing or by locking them with O-rings.

Keywords: C-N doped, sunlight photocatalytic activity, TiO2 monolith, visible absorbance

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