Search results for: comparison between R.C.C and encased composite column structures

Authors: Naci Kalkan, Ihsan Dagtekin

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This research presents the design and analysis of solar air-conditioning systems particularly solar chimney which is a passive strategy for natural ventilation, and demonstrates the structures of these systems’ using Computational Fluid Dynamic (CFD) and finally compares the results with several examples, which have been studied experimentally and carried out previously. In order to improve the performance of solar chimney system, highly efficient sub-system components are considered for the design. The general purpose of the research is to understand how efficiently solar chimney systems generate cooling, and is to improve the efficient of such systems for integration with existing and future domestic buildings.

Keywords: active and passive solar technologies, solar cooling system, solar chimney, natural ventilation, cavity depth, CFD models for solar chimney

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Authors: S. Slimani, B. Djellouli

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Novel materials and innovative device structures has become necessary for the future of CMOS. High mobility materials like Ge is a very promising material due to its high mobility and is being considered to replace Si in the channel to achieve higher drive currents and switching speeds .Various approaches to circumvent the scaling limits to benchmark the performance of nanoscale MOSFETS with different channel materials, the optimized structure is simulated within nextnano in order to highlight the quantum effects on DG MOSFETs when Si is replaced by Ge and SiO2 is replaced by ZrO2 and HfO2as the gate dielectric. The results have shown that Ge MOSFET have the highest mobility and high permittivity oxides serve to maintain high drive current. The simulations show significant improvements compared with DGMOSFET using SiO2 gate dielectric and Si channel.

Keywords: high mobility, high-k, quantum effects, SOI-DGMOSFET

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Authors: Asmaa M. Fahim

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In this investigation, the (E)-2-cyano-3-(dimethylamino)-N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acrylam-ide (4) which used TAM as a template which interacts with Methacrylic Acid (MAA) monomer, in the presence of CH₃CN as progen. The TAM-MMA complex interactions are dependent on stable hydrogen bonding interaction between the carboxylic acid group of TAM(Template) and the hydroxyl group of MMA(methyl methacrylate) with minimal interference of porogen CH₃CN. The physical computational studies were used to optimize their structures and frequency calculations. The binding energies between TAM with different monomers showed the most stable molar ratio of 1:4, which was confirmed through experimental analysis. The optimized polymers were investigated in industrial applications.

Keywords: molecular imprinted polymer, computational studies, SEM, spectral analysis, industrial applications

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Authors: Farah Marsusi, Mohammad Qasemnazhand

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Density-functional theory (DFT) was applied to investigate the geometry and electronic properties H-terminated Si-fullerene (Si-fullerane). Natural bond orbital (NBO) analysis confirms sp3 hybridization nature of Si-Si bonds in Si-fulleranes. Quantum confinement effect (QCE) does not affect band gap (BG) so strongly in the size between 1 to 1.7 nm. In contrast, the geometry and symmetry of the cage have significant influence on BG. In contrast to their carbon analogues, pentagon rings increase the stability of the cages. Functionalized Si-cages are stable and can be chemically very active. The electronic properties are highly sensitive to the surface chemistry via functionalization with different chemical groups. As a result, BGs and chemical activities of these cages can be drastically tuned through the chemistry of the surface.

Keywords: density functional theory, sila-fullerens, NBO analysis, opto-electronic properties

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Authors: Ali Alhajeri, Tarig Makki, Mosa Almutahhar, Mohammed Ahmed, Usman Ali

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Metal powder is the raw material used for laser powder-bed fusion (LPBF) additive manufacturing (AM). There are many metal materials that can be used in LPBF. The properties of these materials are varied between each other, which can affect the building part. The objective of this paper is to do an overview of the titanium powders available in LBPF. Comparison between different literature works will lead us to study the similarities and differences between the powder properties such as size, shape, and chemical composition. Furthermore, the results of this paper will point out the significant titanium powder properties in order to clearly illustrate their effect on the build parts.

Keywords: LPBF, titanium, Ti-6Al-4V, Ti-5553, metal powder, AM

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Authors: Y. A. Prada, Fanny Guzman, Rafael Cabanzo, John J. Castillo, Enrique Mejia-Ospino

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In this work, we show the important results about of synthesis of photoluminiscents gold nanoclusters using a small peptide as template for biosensing applications. Interestingly, we design one peptide (NBC2854) homologue to conservative domain from 215 250 residue of a galactolectin protein which can recognize the proteophosphoglycans (PPG) from Leishmania. Peptide was synthetized by multiple solid phase synthesis using FMoc group methodology in acid medium. Finally, the peptide was purified by High-Performance Liquid Chromatography using a Vydac C-18 preparative column and the detection was at 215 nm using a Photo Diode Array detector. Molecular mass of this peptide was confirmed by MALDI-TOF and to verify the α-helix structure we use Circular Dichroism. By means of the methodology used we obtained a novel fluorescents gold nanoclusters (AuNC) using NBC2854 as a template. In this work, we described an easy and fast microsonic method for the synthesis of AuNC with ≈ 3.0 nm of hydrodynamic size and photoemission at 630 nm. The presence of cysteine residue in the C-terminal of the peptide allows the formation of Au-S bond which confers stability to Peptide-based gold nanoclusters. Interactions between the peptide and gold nanoclusters were confirmed by X-ray Photoemission and Raman Spectroscopy. Notably, from the ultrafine spectra shown in the MALDI-TOF analysis which containing only 3-7 KDa species was assigned to Au₈-₁₈[NBC2854]₂ clusters. Finally, we evaluated the Peptide-gold nanocluster as an optical biosensor based on fluorescence spectroscopy and the fluorescence signal of PPG (0.1 µg-mL⁻¹ to 1000 µg-mL⁻¹) was amplified at the same wavelength emission (≈ 630 nm). This can suggest that there is a strong interaction between PPG and Pep@AuNC, therefore, the increase of the fluorescence intensity can be related to the association mechanism that take place when the target molecule is sensing by the Pep@AuNC conjugate. Further spectroscopic studies are necessary to evaluate the fluorescence mechanism involve in the sensing of the PPG by the Pep@AuNC. To our best knowledge the fabrication of an optical biosensor based on Pep@AuNC for sensing biomolecules such as Proteophosphoglycans which are secreted in abundance by parasites Leishmania.

Keywords: biosensing, fluorescence, Leishmania, peptide-gold nanoclusters, proteophosphoglycans

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Authors: Samira Ghizellaoui, Manel Boumagoura

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The municipality of Constantine in eastern Algeria draws water from the Hamma groundwater source. The high fouling capacity is due to the high content of bicarbonate (442 mg/L) and calcium (136 mg/L). This work focuses on the use of three new green inhibitors for reducing calcium carbonate scale formation: gallic acid, quercetin and alginate, and on the comparison between them. These inhibitors have proven to be green antiscalants because they have no impact on the environment. Electrochemical methods (chronoamperometry and impedancemetry) were used to evaluate their performance. According to the study, these inhibitors are excellent green chemical inhibitors of scaling, and the best inhibitor is quercetin because it gave a good result with a lower concentration (2mg/L) compared to others inhibitors.

Keywords: scaling, green inhibitor, chronoamperometry, impedancemetry

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Authors: Masa Popovac, Philip Fine

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Information and Communication Technologies (ICTs) have altered our social environments, and young people in particular have immersed themselves in the digital age. Despite countless benefits, younger ICT users are being exposed to various online risks such as contact with strangers, viewing of risky content, sending or receiving sexually themed images or comments (i.e. ‘sexting’) as well as cyber bullying. Parents may not be fully aware of the online spaces their children inhabit and often struggle to implement effective mediation strategies. This quantitative study explored (i) three types of online risks (contact risks, content risks and conduct risks), (ii) cyber bullying victimization and perpetration, and (iii) parental mediation among a sample of 689 South African adolescents aged between 12-17 years. Survey data was also collected for 227 of their parents relating to their perceptions of their child’s online experiences. A comparison between adolescent behaviors and parental perceptions was examined on the three variables in the study. Findings reveal various online risk taking behaviors. In terms of contact risks, 56% of adolescents reported having contact with at least one online stranger, with many meeting these strangers in person. Content risks included exposure to harmful information such as websites promoting extreme diets or self-harm as well as inappropriate content: 84% of adolescents had seen violent content and 75% had seen sexual content online. Almost 60% of adolescents engaged in conduct risks such as sexting. Eight online victimization behaviors were examined in the study and 79% of adolescents had at least one of these negative experiences, with a third (34%) defining this experience as cyber bullying. A strong connection between victimization and perpetration was found, with 63% of adolescents being both a victim and perpetrator. Very little parental mediation of ICT use was reported. Inferential statistics revealed that parents consistently underestimated their child’s online risk taking behaviors as well as their cyber bullying victimization and perpetration. Parents also overestimated mediation strategies in the home. The generational gap in the knowledge and use of ICTs is a barrier to effective parental mediation and online safety, since many negative online experiences by adolescents go undetected and can continue for extended periods of time thereby exacerbating the potential psychological and emotional distress. The study highlights the importance of including parents in online safety efforts.

Keywords: cyber bullying, online risk behaviors, parental mediation, South Africa

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Authors: Ünal Kızıl, Levent Genç, Sefa Aksu, Ahmet Tapınç

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The Figaro AM-1 sensor module which employs TGS 2600 model gas sensor in air quality assessment was used. The system was coupled with a microprocessor that enables sensor module to create warning message via telephone. This low cot sensor system’s performance was compared with a Diagnose II commercial electronic nose system. Both air quality sensor and electronic nose system employ metal oxide chemical gas sensors. In the study experimental setup, data acquisition methods for electronic nose system, and performance of the low cost air quality system were evaluated and explained.

Keywords: air quality, electronic nose, environmental quality, gas sensor

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Authors: Irtaza M. Syed, Kaamran Raahemifar

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In this paper, we present a comparative assessment of Space Vector Pulse Width Modulation (SVPWM) and Model Predictive Control (MPC) for two-level three phase (2L-3P) Voltage Source Inverter (VSI). VSI with associated system is subjected to both control techniques and the results are compared. Matlab/Simulink was used to model, simulate and validate the control schemes. Findings of this study show that MPC is superior to SVPWM in terms of total harmonic distortion (THD) and implementation.

Keywords: voltage source inverter, space vector pulse width modulation, model predictive control, comparison

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Authors: Aurea C. L. Lacerda, Paulo R. H. Moreno, Bruna M. P. Vianna, Cristina H. R. Serra, Airton Martin, André R. Baby, Vladi O. Consiglieri, Telma M. Kaneko

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The modified Franz cell is the most widely used model for in vitro permeation studies, however it still presents some disadvantages. Thus, some alternative methods have been developed such as Skin PAMPA, which is a bio- artificial membrane that has been applied for skin penetration estimation of xenobiotics based on HT permeability model consisting. Skin PAMPA greatest advantage is to carry out more tests, in a fast and inexpensive way. The membrane system mimics the stratum corneum characteristics, which is the primary skin barrier. The barrier properties are given by corneocytes embedded in a multilamellar lipid matrix. This layer is the main penetration route through the paracellular permeation pathway and it consists of a mixture of cholesterol, ceramides, and fatty acids as the dominant components. However, there is no consensus on the membrane composition. The objective of this work was to compare the performance among different bio-artificial membranes for studying the permeation in skin PAMPA system. Material and methods: In order to mimetize the lipid composition`s present in the human stratum corneum six membranes were developed. The membrane composition was equimolar mixture of cholesterol, ceramides 1-O-C18:1, C22, and C20, plus fatty acids C20 and C24. The membrane integrity assay was based on the transport of Brilliant Cresyl Blue, which has a low permeability; and Lucifer Yellow with very poor permeability and should effectively be completely rejected. The membrane characterization was performed using Confocal Laser Raman Spectroscopy, using stabilized laser at 785 nm with 10 second integration time and 2 accumulations. The membrane behaviour results on the PAMPA system were statistically evaluated and all of the compositions have shown integrity and permeability. The confocal Raman spectra were obtained in the region of 800-1200 cm-1 that is associated with the C-C stretches of the carbon scaffold from the stratum corneum lipids showed similar pattern for all the membranes. The ceramides, long chain fatty acids and cholesterol in equimolar ratio permitted to obtain lipid mixtures with self-organization capability, similar to that occurring into the stratum corneum. Conclusion: The artificial biological membranes studied for Skin PAMPA showed to be similar and with comparable properties to the stratum corneum.

Keywords: bio-artificial membranes, comparison, confocal Raman, skin PAMPA

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Authors: Sameh Abaza, Mohamed Ibrahim, Tarek Mahmoud

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Due to the development in the digital image processing, its wide use in many applications such as medical, security, and others, the need for more accurate techniques that are reliable, fast and robust is vehemently demanded. In the field of security, in particular, speed is of the essence. In this paper, a pattern recognition technique that is based on the use of Hidden Markov Model (HMM), K-means and the Sobel operator method is developed. The proposed technique is proved to be fast with respect to some other techniques that are investigated for comparison. Moreover, it shows its capability of recognizing the normal face (center part) as well as face boundary.

Keywords: HMM, K-Means, Sobel, accuracy, face recognition

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Authors: Yulu Zhang, Atushi Teramoto, Taka-Aki Ohkubo

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In this study, the effect of expansive additives on autogenous shrinkage and delayed expansion of ultra-high strength mortar was explored. The specimens made for the study were composed of ultra-high strength mortar, which was mixed with ettringite-lime composite type expansive additive. Two series of experiments were conducted with the specimens. The experimental results confirmed that the autogenous shrinkage of specimens was effectively decreased by increasing the proportion of the expansive additive. On the other hand, for the specimens, which had 7% expansive additive, and were cured for seven days at a constant temperature of 20°C, and then cured for a long time in either in an underwater, moist (Relative humidity: 100%) or dry air (Relative humidity: 60%) environment, excessively large expansion strain occurred. Specifically, typical turtle shell-like swelling expansion cracks were confirmed in the specimens that underwent long-term curing in an underwater and moist environment. According to the result of hydration analysis, the formation of expansive substances, calcium hydroxide and alumina, ferric oxide, tri-sulfate contribute to the occurrence of delayed expansion.

Keywords: ultra-high strength mortar, expansive additive, autogenous shrinkage, delayed expansion

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Authors: Babak Safaei, A. M. Fattahi

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In the present study we have investigated axial buckling characteristics of nanocomposite beams reinforced by single-walled carbon nanotubes (SWCNTs). Various types of beam theories including Euler-Bernoulli beam theory, Timoshenko beam theory and Reddy beam theory were used to analyze the buckling behavior of carbon nanotube-reinforced composite beams. Generalized differential quadrature (GDQ) method was utilized to discretize the governing differential equations along with four commonly used boundary conditions. The material properties of the nanocomposite beams were obtained using molecular dynamic (MD) simulation corresponding to both short-(10,10) SWCNT and long-(10,10) SWCNT composites which were embedded by amorphous polyethylene matrix. Then the results obtained directly from MD simulations were matched with those calculated by the mixture rule to extract appropriate values of carbon nanotube efficiency parameters accounting for the scale-dependent material properties. The selected numerical results were presented to indicate the influences of nanotube volume fractions and end supports on the critical axial buckling loads of nanocomposite beams relevant to long- and short-nanotube composites.

Keywords: nanocomposites, molecular dynamics simulation, axial buckling, generalized differential quadrature (GDQ)

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Authors: Z. Aziz, S. Terkhi, Y. Sefir, R. Djelti, S. Bentata

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The effect of a uniform electric field across multi-barrier systems (InAs/InxGa1-xAs) is exhaustively explored by a computational model using exact Airy function formalism and the transfer-matrix technique. In the case of biased DFHBSL structure a strong reduction in transmission properties was observed and the width of the mini-band structure linearly decreases with the increase of the applied bias. This is due to the confinement of the states in the mini-band structure, which becomes increasingly important (Wannier-Stark Effect).

Keywords: dimer fibonacci height barrier superlattices, singular extended state, exact Airy function and transfer matrix formalism, bioinformatics

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Authors: Seyfullah Madakbas, Emrah Cakmakci

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Polyaniline (PANI), the most studied member of the conductive polymers, has a wide range of uses from several electronic devices to various conductive high-technology applications. Boron nitride (BN) is a boron and nitrogen containing compound with superior chemical and thermal resistance and thermal conductivity. Even though several composites of PANI was prepared in literature, the preparation of h-BN/PANI composites is rare. In this work PANI was polymerized in the presence of different amounts of h-BN (1, 3 and 5% with respect to PANI) by using 0.1 M solution of NH4S2O8 in HCl as the oxidizing agent and conductive composites were prepared. Composites were structurally characterized with FTIR spectroscopy and X-Ray Diffraction (XRD). Thermal properties of conductive composites were determined by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Dielectric measurements were performed in the frequency range of 106–108 Hz at room temperature. The corresponding bands for the benzenoid and quinoid rings at around 1593 and 1496 cm-1 in the FTIR spectra of the composites proved the formation of polyaniline. Together with the FTIR spectra, XRD analysis also revealed the existence of the interactions between PANI and h-BN. Glass transition temperatures (Tg) of the composites increased with the increasing amount of PANI (from 87 to 101). TGA revealed that the char yield of the composites increased as the amount of h-BN was increased in the composites. Finally the dielectric permittivity of 3 wt.%h-BN-containing composite was measured and found as approximately 17. This work was supported by Marmara University, Commission of Scientific Research Project.

Keywords: dielectric permittivity, h-BN, PANI, thermal analysis

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Authors: Adeyi Akindele Oluwatosin, Mustapha Kaosarat Keji, Ajisebiola Babafemi Siji, Adeyi Olubisi Esther, Damilohun Samuel Metibemu, Raphael Emuebie Okonji

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Envenoming by Echis ocellatus is potentially life-threatening due to severe hemorrhage, renal failure, and capillary leakage. These effects are attributed to snake venom metalloproteinases (SVMPs). Due to drawbacks in the use of antivenom, natural inhibitors from plants are of interest in studies of new antivenom treatment. Antagonizing effects of bioactive compounds of Moringa oleifera, a known antisnake plant, are yet to be tested against SVMPs of E. ocellatus (SVMP-EO). Ethanol crude extract of M. oleifera was partitioned using n-hexane and ethyl acetate. Each partition was fractionated using column chromatography and tested against SVMP-EO purified through ion-exchange chromatography with EchiTab-PLUS polyvalent anti-venom as control. Phytoconstituents of ethyl acetate fraction were screened against the catalytic site of crystal of BaP1-SVMP, while drug-likeness and ADMET toxicity of compound were equally determined. The molecular weight of isolated SVMP-EO was 43.28 kDa, with a specific activity of 245 U/ml, a percentage yield of 62.83 %, and a purification fold of 0.920. The Vmax and Km values are 2 mg/ml and 38.095 μmol/ml/min, respectively, while the optimal pH and temperature are 6.0 and 40°C, respectively. Polyvalent anti-venom, crude extract, and ethyl acetate fraction of M. oleifera exhibited a complete inhibitory effect against SVMP-EO activity. The inhibitions of the P-1 and P-II metalloprotease’s enzymes by the ethyl acetate fraction are largely due to methanol, 6, 8, 9-trimethyl-4-(2-phenylethyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl)- and paroxypropione, respectively. Both compounds are potential drug candidates with little or no concern of toxicity, as revealed from the in-silico predictions. The inhibitory effects suggest that this compound might be a therapeutic candidate for further exploration for treatment of Ocellatus’ envenoming.

Keywords: Echis ocellatus, Moringa oleifera, anti-venom, metalloproteases, snakebite, molecular docking

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Authors: Jerome D. Donovan

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The pandemic has resulted in a dramatic re-consideration of the reliance on international student fees to support university models in Australia. A key resulting initiative for the Australian Federal Government has been shifting the way universities consider their research model, emphasising the importance of commercialising research. This study specifically examines this shift from the perspective of a university spin-off, examining how university support structures and incubation models have assisted in the translation of fundamental research into a high-growth university spin-off. A focused case study approach is adopted in this study, using an auto-ethnographic research method to document the experiences and insights drawn from being a co-founder in a university spin-off in a time where research commercialisation has emerged as a central focus in Australian universities.

Keywords: research commercialisation, spin-offs, university incubation, entrepreneurship

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Authors: Walter Evaldo Kuchenbecker, Julio Carlos Teixeira

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Since efficiency became a challenge to reduce energy consumption of all electrical machines applications, the permanent magnet machine raises up as a better option, because its performance, robustness and simple control. Even though, the electrical machine was developed through analyses of magnetism effect, permanent magnet machines still not well dominated. As permanent magnet machines are becoming popular in most applications, the pressure to standardize this type of electrical machine increases. However, due limited domain, it is still nowadays without any standard to manufacture, test and application. In order to determine an inductance of the machine, a new method is proposed.

Keywords: permanent magnet generators (pmg), synchronous machine parameters, test procedures, inductances

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Authors: Mohammad Hadi Jalali, Behrooz Shahriari, Mostafa Ghayour, Saeed Ziaei-Rad, Shahram Yousefi

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Most flexible rotors can be considered as beam-like structures. In many cases, rotors are modeled as one-dimensional bodies, made basically of beam-like shafts with rigid bodies attached to them. This approach is typical of rotor dynamics, both analytical and numerical, and several rotor dynamic codes, based on the finite element method, follow this trend. In this paper, a finite element model based on Timoshenko beam elements is utilized to analyze the lateral dynamic behavior of a certain rotor-bearing system in operating conditions.

Keywords: finite element method, Timoshenko beam elements, operational deflection shape, unbalance response

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Authors: Kazuko Sakamoto, Keiichiro Kawarabayashi, Yoji Kitani

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Japanese sweets are one of the important elements of the Chur Japan strategy. In this research, we investigated what kind of sweets are liked to the Chinese tourist. What is generally eaten is influenced by culture, a sense of values, and business practice. Therefore, what was adapted there is sold. However, when traveling, what its country does not have is called for. Then, how far should we take in Chinese people's taste in a design?　This time, the design attribute (a color and a form) which leads to sweets "being delicious" was clarified by rough aggregate theory.As a result, the difference in the taste of Chinese people and Japanese people became clear.

Keywords: design attribute, international comparison, taste by appearance, design attribute

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Authors: Arvinder Kaur, Deepti Chopra

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Software Entropy Metrics for bug prediction have been validated on various software systems by different researchers. In our previous research, we have validated that Software Entropy Metrics calculated for Mozilla subsystem’s predict the future bugs reasonably well. In this study, the Software Entropy metrics are calculated for a subsystem of Android and it is noticed that these metrics are not suitable for bug prediction. The results are compared with a subsystem of Mozilla and a comparison is made between the two software systems to determine the reasons why Software Entropy metrics are not applicable for Android.

Keywords: android, bug prediction, mining software repositories, software entropy

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Authors: Nurul Amziah Md Yunus, Izhal Abdul Halin, Nasri Sulaiman, Noor Faezah Ismail, Nik Hasniza Nik Aman

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Nanotechnology has become the world attention in various applications including the solar cells devices due to the uniqueness and benefits of achieving low cost and better performances of devices. Recently, thin film solar cells such as cadmium telluride (CdTe), copper-indium-gallium-diSelenide (CIGS), copper-zinc-tin-sulphide (CZTS), and dye-sensitized solar cells (DSSC) enhanced by nanotechnology have attracted much attention. Thus, a compilation of nanotechnology devices giving the progress in the solar cells has been presented. It is much related to nanoparticles or nanocrystallines, carbon nanotubes, and nanowires or nanorods structures.

Keywords: nanotechnology, nanocrystalline, nanowires, carbon nanotubes, nanorods, thin film solar cells

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Authors: Samir Hassan AL-Nesrawy, Mohammed Al-Maamori, A. S. Hassani

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Rebound resilience for various elastomeric composites has been measured by Tripsometer devise, in order to investigate the effect of mix of C.B & Reclaim loading on elastomeric materials to absorb or damping vibration or shocks by fenders uses in the Iraqi berths. After having been certain about attaining the physical and mechanical properties of the new samples which are similar to the levels of their standard ones, damping properties for the new samples have been measured and compared with those of the standard fenders. The new samples included four rubber blends from (SBR/NR/BR-cis) and four loading levels of mix carbon black (type N-375) and reclaim to become sixteen compound contain SBR(100,60,60,60), NR(0,10,20,30), BRcis(30,20,10,0) and loading level for C.B, Reclaim (10,20,30,40). Damping measurements have been carried out by the method Free Vibration Resilience Pendulum method (by using Wallace R2-Dunlop Tripsometer) and from this Resilience Pendulum method, both the resilience percentage value (R%) and time decay (t0) have been measured at 50oC. We found that the results of this method proved that the increment of C.B, Reclaim level in these robber composite lead to decreasing the resiliency (R%) and damping time.

Keywords: damping materials, carbon black mixture effect, mechanical properties, rubber blends SBR/NR/BRcis

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Authors: Weikang Gong, Chunhua Li

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Dynamics plays an essential role in function exertion of proteins. Elastic network model (ENM), a harmonic potential-based and cost-effective computational method, is a valuable and efficient tool for characterizing the intrinsic dynamical properties encoded in biomacromolecule structures and has been widely used to detect the large-amplitude collective motions of proteins. Gaussian network model (GNM) and anisotropic network model (ANM) are the two often-used ENM models. In recent years, many ENM variants have been proposed. Here, we propose a small but effective modification (denoted as modified mENM) to the multiscale ENM (mENM) where fitting weights of Kirchhoff/Hessian matrixes with the least square method (LSM) is modified since it neglects the details of pairwise interactions. Then we perform its comparisons with the original mENM, traditional ENM, and parameter-free ENM (pfENM) on reproducing dynamical properties for the six representative proteins whose molecular dynamics (MD) trajectories are available in http://mmb.pcb.ub.es/MoDEL/. In the results, for B-factor prediction, mENM achieves the best performance among the four ENM models. Additionally, it is noted that with the weights of the multiscale Kirchhoff/Hessian matrixes modified, interestingly, the modified mGNM/mANM still has a much better performance than the corresponding traditional ENM and pfENM models. As to dynamical cross-correlation map (DCCM) calculation, taking the data obtained from MD trajectories as the standard, mENM performs the worst while the results produced by the modified mENM and pfENM models are close to those from MD trajectories with the latter a little better than the former. Generally, ANMs perform better than the corresponding GNMs except for the mENM. Thus, pfANM and the modified mANM, especially the former, have an excellent performance in dynamical cross-correlation calculation. Compared with GNMs (except for mGNM), the corresponding ANMs can capture quite a number of positive correlations for the residue pairs nearly largest distances apart, which is maybe due to the anisotropy consideration in ANMs. Furtherly, encouragingly the modified mANM displays the best performance in capturing the functional motional modes, followed by pfANM and traditional ANM models, while mANM fails in all the cases. This suggests that the consideration of long-range interactions is critical for ANM models to produce protein functional motions. Based on the analyses, the modified mENM is a promising method in capturing multiple dynamical characteristics encoded in protein structures. This work is helpful for strengthening the understanding of the elastic network model and provides a valuable guide for researchers to utilize the model to explore protein dynamics.

Keywords: elastic network model, ENM, multiscale ENM, molecular dynamics, parameter-free ENM, protein structure

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Authors: Adeyemi Kamil Hamzah

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The contiguity of nations in international system suggests that world is a composite of socio-economic unit with people exploring and exploiting the potentials in the world via migrations. Thus, cross border migration has made positive contributions to social and economic development of individuals and nations by increasing the household incomes of the host countries. However, the cross border migrations in West Africa are becoming part of a dynamic and unstable world migration system. This is due to the nature and consequences of trans-border crimes in West Africa, with both short and long term effects on the socio-economic viability of developing countries like West African States. The paper identified that migration influenced cross-border crimes as well as the high spate of insurgencies in the sub-region. Furthermore, the consequential effect of a global village has imbalanced population flows, making some countries host and parasites to others. Also, stern and deft cross-border rules and regulations, as well as territorial security and protections, ameliorate cross border crimes and migration in West African sub-regions. Therefore, the study concluded that cross border migration is the linchpin of all kinds of criminal activities which affect the security of states in the sub-region.

Keywords: cross-border migration, border crimes, security, West Africa, development, globalisation

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Authors: B. Bouadjemi, S. Bentata, W. Benstaali, A. Souidi, A. Abbad, T. Lantri, Z. Aziz, A. Zitouni

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The electronic and magnetic structures of double perovskite Ba2MnMoO6 are systematically investigated using the first principle method of the Full Potential Linear Augmented Plane Waves Plus the Local Orbitals (FP-LAPW+LO) within the Local Spin Density Approximation (LSDA) and the Generalized Gradient Approximation (GGA). In order to take into account the strong on-site Coulomb interaction, we included the Hubbard correlation terms: LSDA+U and GGA+U approaches. Whereas half-metallic ferromagnetic character is observed due to dominant Mn spin-up and Mo spin-down contributions insulating ground state is obtained. The LSDA+U and GGA+U calculations yield better agreement with the theoretical and the experimental results than LSDA and GGA do.

Keywords: electronic structure, double perovskite, first principles, Ba2MnMoO6, half-metallic

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Authors: Mario Lupaca, Karol Munoz, Victor De Negri

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The present article presents a methodology for the improvement of the energy efficiency in pneumatic systems through the restoring of air. In this way, three techniques of expansion of a cylinder are identified: Expansion using the air of the compressor (conventional), restoring the air (efficient), and combining the air of the compressor and the restored air (hybrid). The methodology starts with the development of the GRAFCET of the system so that it can be decided whether to expand the cylinder in a conventional, efficient, or hybrid way. The methodology can be applied to any case. Finally, graphs of comparison between the three methods of expansion with certain cylinder strokes and workloads are presented, to facilitate the subsequent selection of one system or another.

Keywords: energetic, efficiency, GRAFCET, methodology, pneumatic

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Authors: Mohammed Almograbi

Abstract:

Libya is one of the largest producers of dates from date palm, generating about 60000 tonnes of date palm seeds (DPS) annually. This large amount of seeds led to studies into the possible use as aggregates in lightweight concrete for some special structures. The utilization of DPS as aggregate in concrete provides a good solution as alternative aggregate to the stone aggregate. It has been recognized that, DPS can be used as coarse aggregate in structural lightweight concrete industry. For any structure member, the durability is one of the most important considerations during its service life. This paper presents the durability properties of DPS concrete. These include the water permeability, water absorption, sorptivity and chloride penetration. The test results obtained were comparable to the conventional lightweight concrete.

Keywords: date palm seeds, lightweight concrete, durability, sustainability, permeability of concrete, water absorption of concrete, sorptivity of concrete

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Authors: Lamiche Chaabane

Abstract:

In this study, a new method for solving sequence alignment problem is proposed, which is named ITS (Improved Tabu Search). This algorithm is based on the classical Tabu Search (TS). ITS is implemented in order to obtain results of multiple sequence alignment. Several ideas concerning neighbourhood generation, move selection mechanisms and intensification/diversification strategies for our proposed ITS is investigated. ITS have generated high-quality results in terms of measure of scores in comparison with the classical TS and simple iterative search algorithm.

Keywords: multiple sequence alignment, tabu search, improved tabu search, neighbourhood generation, selection mechanisms

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