Search results for: Low density polyethylene

Authors: Abada Ahmed, Hiadsi Said, Ouahrani Tarik, Amrani Bouhalouane, Amara Kadda

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Using the first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT), we have investigated the electronic structure and magnetism of full Heusler alloys Co2ZrGe and Co2NbB. These compounds are predicted to be half-metallic ferromagnets (HMFs) with a total magnetic moment of 2.000
B per formula unit, well consistent with the Slater-Pauling rule. Calculations show that both the alloys have an indirect band gaps, in the minority-spin channel of density of states (DOS), with values of 0.58 eV and 0.47 eV for Co2ZrGe and Co2NbB, respectively. Analysis of the DOS and magnetic moments indicates that their magnetism is mainly related to the d-d hybridization between the Co and Zr (or Nb) atoms. The half-metallicity is found to be relatively robust against volume changes. In addition, an atom inside molecule AIM formalism and an electron localization function ELF were also adopted to study the bonding properties of these compounds, building a bridge between their electronic and bonding behavior. As they have a good crystallographic compatibility with the lattice of semiconductors used industrially and negative calculated cohesive energies with considerable absolute values these two alloys could be promising magnetic materials in the spintronic field.

Keywords: Electronic properties, full Heusler alloys, halfmetallic ferromagnets, magnetic properties.

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Authors: Hamid Abbasdokht , Mohammad Reza Edalatpishe, Ahmad Gholami

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In order to study of hydropriming and halopriming on germination and early growth stage of wheat (Triticum aestivum) an experiment was carried out in laboratory of the Department of Agronomy and Plant breeding, Shahrood University of Technology. Seed treatments consisted of T1: control (untreated seeds), T2: soaking in distilled water for 18 h (hydropriming). T3: soaking in - 1.2 MPa solution of CaSO4 for 36 h (halopriming). Germination and early seedling growth were studied using distilled water (control) and under osmotic potentials of -0.4, -0.8 and -1.2 MPa for NaCl and polyethylene glycol (PEG 6000), respectively. Results showed that Hydroprimed seeds achieved maximum germination seedling dry weight, especially during the higher osmotic potentials. Minimum germination was recorded at untreated seeds (control) followed by osmopriming. Under high osmotic potentials, hydroprimed seeds had higher GI (germination index) as compared to haloprimed or untreated seeds. Interaction effect of seed treatment and osmotic potential significantly affected the seedling vigour index (SVI).

Keywords: Wheat, hydropriming, halopriming, germination

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Authors: Partha Sarathi Majee, S. Bhattacharyya

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Migration of a core-shell soft particle under the influence of an external electric field in an electrolyte solution is studied numerically. The soft particle is coated with a positively charged polyelectrolyte layer (PEL) and the rigid core is having a uniform surface charge density. The Darcy-Brinkman extended Navier-Stokes equations are solved for the motion of the ionized fluid, the non-linear Nernst-Planck equations for the ion transport and the Poisson equation for the electric potential. A pressure correction based iterative algorithm is adopted for numerical computations. The effects of convection on double layer polarization (DLP) and diffusion dominated counter ions penetration are investigated for a wide range of Debye layer thickness, PEL fixed surface charge density, and permeability of the PEL. Our results show that when the Debye layer is in order of the particle size, the DLP effect is significant and produces a reduction in electrophoretic mobility. However, the double layer polarization effect is negligible for a thin Debye layer or low permeable cases. The point of zero mobility and the existence of mobility reversal depending on the electrolyte concentration are also presented.

Keywords: Debye length, double layer polarization, electrophoresis, mobility reversal, soft particle.

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Authors: H. Naghawi, R. Al-Ajarmeh, R. Allouzi, A. AlKlub, K. Masarwah, A. AL-Quraini, M. Abu-Sarhan

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The main objective of this paper is to evaluate the use of plastic waste as a low cost asphalt binder modifier. For this purpose Marshall mix design procedure was used. Marshall mix design procedure seeks to select the Optimum Binder Content (OBC) to be added to a specific aggregate blend resulting in a mixture that satisfies the desired properties of strength and durability. In order to evaluate the plastic waste modified (PWM) asphalt mixtures, the OBC for the conventional asphalt mix was first identified, and then different percentages of crushed plastic waste by weight of the identified OBC were tested. Marshall test results for the modified asphalt mixtures were analyzed to find the optimum PWM content. Finally, the static indirect tensile strength (IDT) was determined for all mixtures using the splitting tensile test. It was found that PWM content of 7.43% by weight of OBC is recommended as the optimum PWM content needed for enhancing the performance of asphalt mixtures. It enhanced stability by 42.56%, flow by 89.91% and strength by 13.54%. This would lead to a more durable pavement by improving the pavement resistance to fatigue cracking and rutting.

Keywords: Binder content modifier, Marshall test, plastic waste, polyethylene terephthalate.

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Authors: Samir J. Deshmukh, Lalit B. Bhuyar, Shashank B. Thakre, Sachin S. Ingole

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The aim of this study is to develop mathematical relationships for the performance parameter brake thermal efficiency (BTE) and emission parameter nitrogen oxides (NOx) for the various esters of vegetable oils used as CI engine fuel. The BTE is an important performance parameter defining the ability of engine to utilize the energy supplied and power developed similarly it is indication of efficiency of fuels used. The esters of cottonseed oil, soybean oil, jatropha oil and hingan oil are prepared using transesterification process and characterized for their physical and main fuel properties including viscosity, density, flash point and higher heating value using standard test methods. These esters are tried as CI engine fuel to analyze the performance and emission parameters in comparison to diesel. The results of the study indicate that esters as a fuel does not differ greatly with that of diesel in properties. The CI engine performance with esters as fuel is in line with the diesel where as the emission parameters are reduced with the use of esters. The correlation developed between BTE and brake power(BP), gross calorific value(CV), air-fuel ratio(A/F), heat carried away by cooling water(HCW). Another equation is developed between the NOx emission and CO, HC, smoke density (SD), exhaust gas temperature (EGT). The equations are verified by comparing the observed and calculated values which gives the coefficient of correlation of 0.99 and 0.96 for the BTE and NOx equations respectively.

Keywords: Esters, emission, performance, and vegetable oil.

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Authors: O. Abiodun Adeyinka, B. Adeyemo Adesesan

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The forensic use of handwriting depends on the analysis, comparison, and evaluation decisions made by forensic document examiners. When using biometric technology in forensic applications, it is necessary to compute Likelihood Ratio (LR) for quantifying strength of evidence under two competing hypotheses, namely the prosecution and the defense hypotheses wherein a set of assumptions and methods for a given data set will be made. It is therefore important to know how repeatable and reproducible our estimated LR is. This paper evaluated the accuracy and reproducibility of examiners' decisions. Confidence interval for the estimated LR were presented so as not get an incorrect estimate that will be used to deliver wrong judgment in the court of Law. The estimate of LR is fundamentally a Bayesian concept and we used two LR estimators, namely Logistic Regression (LoR) and Kernel Density Estimator (KDE) for this paper. The repeatability evaluation was carried out by retesting the initial experiment after an interval of six months to observe whether examiners would repeat their decisions for the estimated LR. The experimental results, which are based on handwriting dataset, show that LR has different confidence intervals which therefore implies that LR cannot be estimated with the same certainty everywhere. Though the LoR performed better than the KDE when tested using the same dataset, the two LR estimators investigated showed a consistent region in which LR value can be estimated confidently. These two findings advance our understanding of LR when used in computing the strength of evidence in handwriting using forensics.

Keywords: Logistic Regression LoR, Kernel Density Estimator KDE, Handwriting, Confidence Interval, Repeatability, Reproducibility.

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Authors: Mont Kumpugdee-Vollrath, Khaled Abdallah

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Liposomes and pegylated liposomes were widely used as drug delivery system in pharmaceutical field since a long time. However, in the former time, polyethylene glycol (PEG) was connected into phospholipid after the liposomes were already prepared. In this paper, we intend to study the possibility of applying phospholipids which already connected with PEG and then they were used to prepare liposomes. The model drug resveratrol was used because it can be applied against different diseases. Cholesterol was applied to stabilize the membrane of liposomes. The thin film technique in a laboratory scale was a preparation method. The liposomes were then characterized by nanoparticle tracking analysis (NTA), photon correlation spectroscopy (PCS) and light microscopic techniques. The stable liposomes can be produced and the particle sizes after filtration were in nanometers. The 2- and 3-chains-PEG-phospholipid (PL) caused in smaller particle size than the 4-chains-PEG-PL. Liposomes from PL 90G and cholesterol were stable during storage at 8 °C of 56 days because the particle sizes measured by PCS were almost not changed. There was almost no leakage of resveratrol from liposomes PL 90G with cholesterol after diffusion test in dialysis tube for 28 days. All liposomes showed the sustained release during measuring time of 270 min. The maximum release amount of 16-20% was detected with liposomes from 2- and 3-chains-PEG-PL. The other liposomes gave max. release amount of resveratrol only of 10%. The release kinetic can be explained by Korsmeyer-Peppas equation. 

Keywords: Liposome, NTA, resveratrol, pegylation, cholesterol.

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Authors: Dehong Li, Yuchen Chen, Alireza Kaboorani, Denis Rodrigue, Xiaodong (Alice) Wang

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Utilizing solar energy for thermal energy storage has emerged as an appealing option for lowering the amount of energy that is consumed by buildings. Due to their high heat storage density, non-corrosive and non-polluting properties, alcohols can be a good alternative to petroleum-derived paraffin phase change materials (PCMs). In this paper, ternary eutectic PCMs with suitable phase change temperatures were designed and prepared using lauryl alcohol (LA), cetyl alcohol (CA), stearyl alcohol (SA) and xylitol (X). The Differential Scanning Calorimetry (DSC) results revealed that the phase change temperatures of LA-CA-SA, LA-CA-X, and LA-SA-X were 20.52 °C, 20.37 °C, and 22.18 °C, respectively. The latent heat of phase change of the ternary eutectic PCMs were all stronger than that of the paraffinic PCMs at roughly the same temperature. The highest latent heat was 195 J/g. It had good thermal energy storage capacity. The preparation mechanism was investigated using Fourier-transform Infrared Spectroscopy (FTIR), and it was found that the ternary eutectic PCMs were only physically mixed among the components. Ternary eutectic PCMs had a simple preparation process, suitable phase change temperature, and high energy storage density. They are suitable for low-temperature architectural packaging applications.

Keywords: Thermal energy storage, buildings, phase change materials, alcohols.

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Authors: U. Yerlikaya, R. T. Balkan

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In this research, a method is developed to obtain high-dimensional configuration space for path planning problems. In typical cases, the path planning problems are solved directly in the 3-dimensional (D) workspace. However, this method is inefficient in handling the robots with various geometrical and mechanical restrictions. To overcome these difficulties, path planning may be formalized and solved in a new space which is called configuration space. The number of dimensions of the configuration space comes from the degree of freedoms of the system of interest. The method can be applied in two ways. In the first way, the point clouds of all the bodies of the system and interaction of them are used. The second way is performed via using the clearance function of simulation software where the minimum distances between surfaces of bodies are simultaneously measured. A double-turret system is held in the scope of this study. The 4-D configuration space of a double-turret system is obtained in these two ways. As a result, the difference between these two methods is around 1%, depending on the density of the point cloud. The disparity between the two forms steadily decreases as the point cloud density increases. At the end of the study, in order to verify 4-D configuration space obtained, 4-D path planning problem was realized as 2-D + 2-D and a sample path planning is carried out with using A* algorithm. Then, the accuracy of the configuration space is proved using the obtained paths on the simulation model of the double-turret system.

Keywords: A* Algorithm, autonomous turrets, high-dimensional C-Space, manifold C-Space, point clouds.

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Authors: Tomio Iwasaki, Yosuke Kawahito

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The adhesion strength and wettability at the interfaces between a polyetheretherketone (PEEK) resin and titanium dioxide (TiO2) have become more important because direct joining of PEEK resin and titanium (Ti), whose surface has usually the oxide (TiO2), is needed not only in vehicles such as airplanes, automobiles, and space vehicles, but also in medical devices such as implants. To realize strong joint between the PEEK resin and TiO2, the dependence of the adhesion strength and wettability on crystal orientations of rutile TiO2 were investigated by using molecular simulations. Molecular dynamics simulations were conducted by combining quantum-mechanics equation of electrons with Newton’s equation of motion of nuclear coordinates (atomic coordinates). By putting a PEEK-resin sphere on a rutile TiO2 surface and by heating the system to 650 K, the contact angles at the interfaces were calculated to evaluate the wettability. After the system is cooled to 300 K from 650 K, to evaluate the adhesin strength, the adhesive fracture energy is calculated as the difference between the energy of the PEEK-TiO2 attached state and that of the PEEK-TiO2 detached state. The results of the contact angles showed that PEEK resin on the TiO2(100) and that on the TiO2(001) surface has low wettability with large contact angles. On the other hand, PEEK resin on the TiO2(110) surface has high wettability with a small contact angle. The results of the adhesive fracture energies showed that the adhesion at the PEEK-resin/TiO2(100) and PEEK-resin/TiO2(001) interfaces are weak. On the other hand, the adhesion at the PEEK-resin/TiO2(110) interface is strong. To clarify the reason that the higher wettability and stronger adhesion are obtained at the PEEK/TiO2(110) interface than at the at the PEEK/TiO2(100) and PEEK/TiO2(001) interfaces, atomic configurations at the interfaces were visualized. The atomic configuration at the PEEK/TiO2(110) interface showed that the lattice-matched coherent interface is realized, and the atomic density is high. On the other hand, the atomic configuration at the PEEK/TiO2(001) interface showed the lattice-unmatched incoherent interface. The atomic configuration at the PEEK/TiO2(100) interface showed that the atomic density is very low although the lattice-matched interface is realized. Therefore, the lattice matching and the high atomic density at the PEEK/TiO2(001) interface are considered to be dominant factors in the high wettability and strong adhesion.

Keywords: Adhesion, direct joining, PEEK, TiO2, wettability.

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Authors: Joseph E. Estevez, Mahdi Ghazizadeh, James G. Ryan, Ajit D. Kelkar

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Radiation shielding is an obstacle in long duration space exploration. Boron Nitride Nanotubes (BNNTs) have attracted attention as an additive to radiation shielding material due to B¹⁰’s large neutron capture cross section. The B¹⁰ has an effective neutron capture cross section suitable for low energy neutrons ranging from 10^-5 to 10⁴ eV and hydrogen is effective at slowing down high energy neutrons. Hydrogenated BNNTs are potentially an ideal nanofiller for radiation shielding composites. We use Molecular Dynamics (MD) Simulation via Material Studios Accelrys 6.0 to model the Young’s Modulus of Hydrogenated BNNTs. An extrapolation technique was employed to determine the Young’s Modulus due to the deformation of the nanostructure at its theoretical density. A linear regression was used to extrapolate the data to the theoretical density of 2.62g/cm³. Simulation data shows that the hydrogenated BNNTs will experience a 11% decrease in the Young’s Modulus for (6,6) BNNTs and 8.5% decrease for (8,8) BNNTs compared to non-hydrogenated BNNT’s. Hydrogenated BNNTs are a viable option as a nanofiller for radiation shielding nanocomposite materials for long range and long duration space exploration.

Keywords: Boron Nitride Nanotube, Radiation Shielding, Young Modulus, Atomistic Modeling.

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Authors: P. Chultheera, T. Rirksomboon, S. Kulprathipanja, C. Liu, W. Chinsirikul, N. Kerddonfag

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Gas separation by selective transport through polymeric membranes is one of the rapid growing branches of membrane technology. However, the tradeoff between the permeability and selectivity is one of the critical challenges encountered by pure polymer membranes, which in turn limits their large-scale application. To enhance gas separation performances, mixed matrix membranes (MMMs) have been developed. In this study, MMMs were prepared by a solution-coating method and tested for CO₂/CH₄ separation through permeability and selectivity using a membrane testing unit at room temperature and a pressure of 100 psig. The fabricated MMMs were composed of silicone rubber dispersed with the activated carbon individually absorbed with polyethylene glycol (PEG) as a liquid additive. PEG emulsified silicone rubber MMMs showed superior gas separation on cellulose acetate membrane with both high permeability and selectivity compared with silicone rubber membrane and alone support membrane. However, the MMMs performed limited stability resulting from the undesirable PEG leakage. To stabilize the MMMs, PEG was then incorporated into activated carbon by adsorption. It was found that the incorporation of solid and liquid was effective to improve the separation performance of MMMs.

Keywords: Mixed matrix membrane, membrane, CO2/CH4 separation, activated carbon.

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Authors: N. N. M. Pauzi, M. R. Karim, M. Jamil, R. Hamid, M. F. M. Zain

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The aim of this study is to conduct an experimental investigation on the influence of complete replacement of natural coarse aggregate with spherically-shape and crushed waste cathode ray tube (CRT) glass to the aspect of workability, density, and compressive strength of the concrete. After characterizing the glass, a group of concrete mixes was prepared to contain a 40% spherical CRT glass and 60% crushed CRT glass as a complete (100%) replacement of natural coarse aggregates. From a total of 16 types of concrete mixes, the optimum proportion was selected based on its best performance. The test results showed that the use of spherical and crushed glass that possesses a smooth surface, rounded, irregular and elongated shape, and low water absorption affects the workability of concrete. Due to a higher specific gravity of crushed glass, concrete mixes containing CRT glass had a higher density compared to ordinary concrete. Despite the spherical and crushed CRT glass being stronger than gravel, the results revealed a reduction in compressive strength of the concrete. However, using a lower water to binder (w/b) ratio and a higher superplasticizer (SP) dosage, it is found to enhance the compressive strength of 60.97 MPa at 28 days that is lower by 13% than the control specimen. These findings indicate that waste CRT glass in the form of spherical and crushed could be used as an alternative of coarse aggregate that may pave the way for the disposal of hazardous e-waste.

Keywords: Cathode ray tube, glass, coarse aggregate, compressive strength.

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Authors: Jonmichael A. Weaver, David A. Miller

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Ultra High Molecular Weight Polyethylene (UHMWPE) presents several distinct advantages as a material with a high strength to weight ratio, durability, and neutron stability. Understanding the change in the mechanical performance of UHMWPE due to environmental exposure is key to safety for future applications. Dyneema® HB-210, a 15 µm diameter UHMWPE multi-filament fiber laid up in a polyurethane matrix in [0/ 90]2, with a thickness of 0.17 mm is compared to the same fiber and orientation system, HB-212, with a rubber-based matrix under UV aging conditions. UV aging tests according to ASTM-G154 were performed on both HB-210 and HB-212 to interrogate the change in mechanical properties, as measured through dynamic mechanical analysis and imaged using a scanning electron microscope. These results showed a decrease in both the storage modulus and loss modulus of the aged material compared to the unaged, even though the tan δ slightly increased. Material degradation occurred at a higher rate in Dyneema® HB-212 compared to HB-210. The HB-210 was characterized for the effects of 100 hours of UV aging via dynamic mechanical analysis. Scanning electron microscope images were taken of the HB-210 and HB-212 to identify the primary damage mechanisms in the matrix. Embrittlement and matrix spall were the products of prolonged UV exposure and erosion, resulting in decreased mechanical properties.

Keywords: Composite materials, material characterization, UV aging, UHMWPE.

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Authors: Qing Zhang, Jiachen Nie, Yujia Wen, Guanyuan Kou, Peng Yu, Kun Xia, Qin Yang, Li Ding

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Background: A facility layout problem (FLP) is an NP-complete (non-deterministic polynomial) problem, for which is hard to obtain an exact optimal solution. FLP has been widely studied in various limited spaces and workflows. For example, cafeterias with many types of equipment for troops cause chaotic processes when dining. Objective: This article tried to optimize the layout of a troops’ cafeteria and to improve the overall efficiency of the dining process. Methods: First, the original cafeteria layout design scheme was analyzed from an ergonomic perspective and two new design schemes were generated. Next, three facility layout models were designed, and further simulation was applied to compare the total time and density of troops between each scheme. Last, an experiment of the dining process with video observation and analysis verified the simulation results. Results: In a simulation, the dining time under the second new layout is shortened by 2.25% and 1.89% (p<0.0001, p=0.0001) compared with the other two layouts, while troops-flow density and interference both greatly reduced in the two new layouts. In the experiment, process completing time and the number of interferences reduced as well, which verified corresponding simulation results. Conclusion: Our two new layout schemes are tested to be optimal by a series of simulation and space experiments. In future research, similar approaches could be applied when taking layout-design algorithm calculation into consideration.

Keywords: Troops’ cafeteria, layout optimization, dining efficiency, AnyLogic simulation, field experiment

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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: A. S. Abdel-Razek, M. M. M. Abd-Elgawad

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The potential of entomopathogenic nematodes in suppressing T. squalida population on cauliflower from transplanting to harvest was evaluated. Significant reductions in plant infestation percentage and population density (/m2) were recorded throughout the plantation seasons, 2011 and 2012 before and after spraying the plants. The percent reduction in numbers/m2 was the highest in March for the treatments with Heterorhabditis indica Behera and Heterorhabditis bacteriophora Giza during the plantation season 2011, while at the plantation season 2012, the reduction in population density was the highest in January for Heterorhabditis Indica Behera and in February for H . bacteriophora Giza treatments. In a comparison test with conventional insecticides Hostathion and Lannate, there were no significant differences in control measures resulting from treatments with H. indica Behera, H. bacteriophora Giza and Lannate. At the plantation season is 2012. Also, the treatments reduced the economic threshold of T. squalida on cauliflower in this experiment as compared with before and after spraying with both the two entomopathogenic nematodes at both seasons 2011 and 2012. This means an increase in the marketability of heads harvested as a consequence of monthly treatments. 

Keywords: Cruciferous plants, chemical insecticides, microbial control, Scarabiead beetles, seasonal monitoring.

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Authors: D. Kurt, Z. U. Yümün, I. F. Barut, E. Kam

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Since the development of the industrial revolution, industrial plants and settlements have spread widely along coastlines. This concentration of development brings environmental pollution to the seas. This study focuses on the Gulf of Izmir, a natural gulf of the Eastern Aegean Sea, located west of Turkey. Investigating marine current sediment is extremely important to detect pollution. This study considered natural radioactivity pollution of the marine environment. Ground drilling cores (the depth of each sediment is different) were taken from four different locations in the Gulf of izmir, Karşıyaka (12.5-13.5 m), Inciralti (6.5-7.5 m), Cesmealti (4.5-5 m) and Bayrakli (10-12 m). These sediment cores were put in preserving bags with weight around 1 kg, and were dried at room temperature to remove moisture. The samples were then sieved into fine powder (100 mesh), and these samples were relocated to 1000 mL polyethylene Marinelli beakers. The prepared sediments were stored for 40 days to reach radioactive equilibrium between uranium and thorium. Gamma spectrometry measurement of each sample was made using an HPGe (High-Purity Germanium) semiconductor detector. In this study, the results display that the average concentrations of the activity values are 8.4 ± 0.23 Bq kg^-1, 19.6 ± 0.51 Bq kg^-1, 8 ± 0.96 Bq kg^-1, 1.93 ± 0.3 Bq kg^-1, and 77.4 ± 0.96 Bq kg^-1, respectively.

Keywords: Gamma, Gulf of Izmir, Eastern Aegean Sea, Turkey, natural radionuclides, pollution.

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Authors: Alan Luo, Hunter N. B. Moseley

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Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from X-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for X-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across X-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: Biomacromolecular structure, coenzyme, electron density discrepancy analysis, X-ray crystallography.

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Authors: Peter Križan, Juraj Beniak, Ľubomír Šooš, Miloš Matúš

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Biomass treatment through densification is very suitable and helpful technology before its effective energy recovery. Densification process of biomass is significantly influenced by various technological and material variables, which are ultimately reflected on the final solid biofuels quality. The paper deals with the experimental research of the relationship between technological and material variables during densification of fast-growing trees, roundly fast-growing willows. The main goal of presented experimental research is to determine the relationship between compression pressure and raw material particle size from a final briquettes density point of view. Experimental research was realized by single-axis densification. The impact of particle size with interaction of compression pressure and stabilization time on the quality properties of briquettes was determined. These variables interaction affects the final solid biofuels (briquettes) quality. From briquettes production point of view and from densification machines constructions point of view is very important to know about mutual interaction of these variables on final briquettes quality. The experimental findings presented here are showing the importance of mentioned variables during the densification process. 

Keywords: Briquettes density, densification, particle size, compression pressure, stabilization time.

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Authors: Ahmed T. Farid, Khaled Z. Soliman

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Due to limited areas and excessive cost of land for projects, backfilling process has become necessary. Also, backfilling will be done to overcome the un-leveling depths or raising levels of site construction, especially near the sea region. Therefore, backfilling soil materials used under the foundation of structures should be investigated regarding its effect on ground motion characteristics, especially at regions subjected to earthquakes. In this research, 60-meter thickness of sandy fill material was used above a fixed 240-meter of natural clayey soil underlying by rock formation to predict the modified ground motion characteristics effect at the foundation level. Comparison between the effect of using three different situations of fill material compaction on the recorded earthquake is studied, i.e. peak ground acceleration, time history, and spectra acceleration values. The three different densities of the compacted fill material used in the study were very loose, medium dense and very dense sand deposits, respectively. Shake computer program was used to perform this study. Strong earthquake records, with Peak Ground Acceleration (PGA) of 0.35 g, were used in the analysis. It was found that, higher compaction of fill material thickness has a significant effect on eliminating the earthquake ground motion properties at surface layer of fill material, near foundation level. It is recommended to consider the fill material characteristics in the design of foundations subjected to seismic motions. Future studies should be analyzed for different fill and natural soil deposits for different seismic conditions.

Keywords: Fill, material, density, compaction, earthquake, PGA.

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Authors: Shih-Bin Wang, Ping Yuan, Syu-Fang Liu, Ming-Jun Kuo

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By the application of an improved back-propagation neural network (BPNN), a model of current densities for a solid oxide fuel cell (SOFC) with 10 layers is established in this study. To build the learning data of BPNN, Taguchi orthogonal array is applied to arrange the conditions of operating parameters, which totally 7 factors act as the inputs of BPNN. Also, the average current densities achieved by numerical method acts as the outputs of BPNN. Comparing with the direct solution, the learning errors for all learning data are smaller than 0.117%, and the predicting errors for 27 forecasting cases are less than 0.231%. The results show that the presented model effectively builds a mathematical algorithm to predict performance of a SOFC stack immediately in real time. Also, the calculating algorithms are applied to proceed with the optimization of the average current density for a SOFC stack. The operating performance window of a SOFC stack is found to be between 41137.11 and 53907.89. Furthermore, an inverse predicting model of operating parameters of a SOFC stack is developed here by the calculating algorithms of the improved BPNN, which is proved to effectively predict operating parameters to achieve a desired performance output of a SOFC stack.

Keywords: a SOFC stack, BPNN, inverse predicting model of operating parameters, optimization of the average current density

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Authors: Zhifeng Xu, Zhongfan Chen

Abstract:

A series of tests on cold-formed steel foamed concrete (CSFC) composite walls subjected to axial load were proposed. The primary purpose of the experiments was to study the mechanical behavior and identify the failure modes of CSFC composite walls. Two main factors were considered in this study: 1) specimen with pouring foamed concrete or without and 2) different foamed concrete density ranks (corresponding to different foamed concrete strength). The interior space between two pieces of straw board of the specimen W-2 and W-3 were poured foamed concrete, and the specimen W-1 does not have foamed concrete core. The foamed concrete density rank of the specimen W-2 was A05 grade, and that of the specimen W-3 was A07 grade. Results showed that the failure mode of CSFC composite wall without foamed concrete was distortional buckling of cold-formed steel (CFS) column, and that poured foamed concrete includes the local crushing of foamed concrete and local buckling of CFS column, but the former prior to the later. Compared with CSFC composite wall without foamed concrete, the ultimate bearing capacity of spec imens poured A05 grade and A07 grade foamed concrete increased 1.6 times and 2.2 times respectively, and specimen poured foamed concrete had a low vertical deformation. According to these results, the simplified calculation formula for the CSFC wall subjected to axial load was proposed, and the calculated results from this formula are in very good agreement with the test results.

Keywords: Cold-formed steel, composite wall, foamed concrete, axial behavior test.

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Authors: Zeki Kara, Kevser Yazar

Abstract:

Table grapes (Vitis vinifera L.) are an important crop worldwide. Postharvest problems like berry shattering, decay and stem dehydration are some of the important factors that limit the marketing of table grapes. Edible coatings are an alternative for increasing shelf-life of fruits, protecting fruits from humidity and oxygen effects, thus retarding their deterioration. This study aimed to compare different grape seed oil applications (GSO, 0.5 g L^-1, 1 g L^-1, 2 g L^-1) and SO₂ generating pads effects (SO₂-1, SO₂-2). Treated grapes with GSO and generating pads were packaged into polyethylene trays and stored at 0 ± 1°C and 85-95% moisture. Effects of the applications were investigated by some quality and sensory evaluations with intervals of 15 days. SO₂ applications were determined the most effective treatments for minimizing weight loss and changes in TA, pH, color and appearance value. Grape seed oil applications were determined as a good alternative for grape preservation, improving weight losses and °Brix, TA, the color values and sensory analysis. Commercially, ‘Alphonse Lavallée’ clusters were stored for 75 days and ‘Antep Karası’ clusters for 60 days. The data obtained from GSO indicated that it had a similar quality result to SO₂ for up to 40 days storage.

Keywords: Postharvest, quality, sensory analyses, Vitis vinifera L.

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Authors: C. S. Saini

Abstract:

The composite flour blend consisting of corn, pearl millet, black gram and wheat bran in the ratio of 80:5:10:5 was taken to prepare the extruded product and their effect on physical properties of extrudate was studied. The extrusion process was conducted in laboratory by using twin screw extruder. The physical characteristics evaluated include lateral expansion, bulk density, water absorption index, water solubility index, and rehydration ratio and moisture retention. The Central Composite Rotatable Design (CCRD) was used to decide the level of processing variables i.e. feed moisture content (%), screw speed (rpm), and barrel temperature (oC) for the experiment. The data obtained after extrusion process were analyzed by using response surface methodology. A second order polynomial model for the dependent variables was established to fit the experimental data. The numerical optimization studies resulted in 127°C of barrel temperature, 246 rpm of screw speed, and 14.5% of feed moisture as optimum variables to produce acceptable extruded product. The responses predicted by the software for the optimum process condition resulted in lateral expansion 126%, bulk density 0.28 g/cm3, water absorption index 4.10 g/g, water solubility index 39.90%, rehydration ratio 544% and moisture retention 11.90% with 75% desirability.

Keywords: Black gram, corn flour, extrusion, physical characteristics.

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Authors: Oluwagbenga B. Fatile, Felix U. Idu, Olajide T. Sanya

Abstract:

This paper reports the viability of developing Zn-27Al alloy matrix hybrid composites reinforced with alumina, graphite and fly ash (solid waste bye product of coal in thermal power plants). This research work was aimed at developing low cost-high performance Zn-27Al matrix composite with low density. Alumina particulates (Al2O3), graphite added with 0, 2, 3, 4 and 5 wt% fly ash were utilized to prepare 10wt% reinforcing phase with Zn-27Al alloy as matrix using two-step stir casting method. Density measurement, estimated percentage porosity, tensile testing, micro hardness measurement and optical microscopy were used to assess the performance of the composites produced. The results show that the hardness, ultimate tensile strength, and percent elongation of the hybrid composites decrease with increase in fly ash content. The maximum decrease in hardness and ultimate tensile strength of 13.72% and 15.25% respectively were observed for composite grade containing 5wt% fly ash. The percentage elongation of composite sample without fly ash is 8.9% which is comparable with that of the sample containing 2wt% fly ash with percentage elongation of 8.8%. The fracture toughness of the fly ash containing composites was however superior to those of composites without fly ash with 5wt% fly ash containing composite exhibiting the highest fracture toughness. The results show that fly ash can be utilized as complementary reinforcement in ZA-27 alloy matrix composite to reduce cost.

Keywords: Fly ash, hybrid composite, mechanical behaviour, stir-cast.

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Authors: S. Jungsuttiwong, R. Tarsang, S. Pansay, T. Yakhantip, V. Promarak, T. Sudyoadsuk, T. Kaewin, S. Saengsuwan, S. Namuangrak

Abstract:

In this paper, four carbazole-based D-D-π-A organic dyes code as CCT2A, CCT3A, CCT1PA and CCT2PA were reported. A series of these organic dyes containing identical donor and acceptor group but different π-system. The effect of replacing of thiophene by phenyl thiophene as π-system on the physical properties has been focused. The structural, energetic properties and absorption spectra were theoretically investigated by means of Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT). The results show that nonplanar conformation due to steric hindrance in donor part (cabazolecarbazole unit) of dye molecule can prevent unfavorable dye aggregation. By means of the TD-DFT method, the absorption spectra were calculated by B3LYP and BHandHLYP to study the affect of hybrid functional on the excitation energy (Eg). The results revealed the increasing of thiophene units not only resulted in decreasing of Eg, but also found the shifting of absorption spectra to higher wavelength. TD-DFT/BHandHLYP calculated results are more strongly agreed with the experimental data than B3LYP functions. Furthermore, the adsorptions of CCT2A and CCT3A on the TiO2 anatase (101) surface were carried out by mean of the chemical periodic calculation. The result exhibit the strong adsorption energy. The calculated results provide our new organic dyes can be effectively used as dye for Dye Sensitized Solar Cell (DSC).

Keywords: Dye-Sensitized Solar cell, Carbarzole, TD-DFT, D-D-π-A organic dye

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Authors: Eqbal M. A. Dauqan, A. Aminah

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The aim of the present study was to evaluate the blood lipid profile and liver lipid peroxidation in normal rat fed with different concentrations of Acacia senegal and Acacia seyal. Thirty six Sprague Dawley male rats each weighing between 180-200g were randomly divided into two groups. Each group contains eighteen rats and were divided into three groups of 6 rats per group. The rats were fed ad libitum with commercial rat’s feed and tap water containing different concentrations of Acacia senegal and Acacia seyal (3% and 6%) for 4 weeks. The results at 4 weeks showed that there was no significant difference (p≤0.05) in the total cholesterol (TC) and triglycerides (TG) between the control group and treated groups while the results for the high density lipoprotein (HDL-C) showed a significant decrease (P≥0.05) at the 3% and 6% of gum arabic treated groups compared to control group. There was a significant increase (P≥0.05) in low density lipoprotein (LDL-C) with 3% and 6% of gum Arabic (GA) groups compared to the control group. The study indicated that there was no significant (p≤0.05) effect on TC and TG but there was significant effect (P≥0.05) on HDL-C and LDL-C in blood lipid profile of normal rat. The results showed that after 4 weeks of treatment the malondialdehyde (MDA) value in rat fed with 6% of A. seyal group was significantly higher (P≥0.05) than control or other treated groups of A. seyal and A. senegal studied. Thus, the two species of gum arabic did not have beneficial effect on blood lipid profile and lipid peroxidation.

Keywords: Acacia senegal, Acacia seyal, lipid profile, lipid peroxidation, malondialdehyde (MDA).

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Authors: A. El-S. Makled, M. K. Al-Tamimi

Abstract:

A mathematical model to predict the performance parameters (thrusts, chamber pressures, fuel mass flow rates, mixture ratios, and regression rates during firing time) of hybrid rocket motor (HRM) is evaluated. The internal ballistic (IB) hybrid combustion model assumes that the solid fuel surface regression rate is controlled only by heat transfer (convective and radiative) from flame zone to solid fuel burning surface. A laboratory HRM is designed, manufactured, and tested for low thrust profile space missions (10-15 N) and for validating the mathematical model (computer program). The polymer material and gaseous oxidizer which are selected for this experimental work are polymethyle-methacrylate (PMMA) and polyethylene (PE) as solid fuel grain and gaseous oxygen (GO₂) as oxidizer. The variation of various operational parameters with time is determined systematically and experimentally in firing of up to 20 seconds, and an average combustion efficiency of 95% of theory is achieved, which was the goal of these experiments. The comparison between recording fire data and predicting analytical parameters shows good agreement with the error that does not exceed 4.5% during all firing time. The current mathematical (computer) code can be used as a powerful tool for HRM analytical design parameters.

Keywords: Hybrid combustion, internal ballistics, hybrid rocket motor, performance parameters.

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Authors: Sachin Kumar, Vivek Tiwari, Goutam Dutta

Abstract:

The paper investigates parallel channel instabilities of natural circulation boiling water reactor. A thermal-hydraulic model is developed to simulate two-phase flow behavior in the natural circulation boiling water reactor (NCBWR) with the incorporation of ex-core components and recirculation loop such as steam separator, down-comer, lower-horizontal section and upper-horizontal section and then, numerical analysis is carried out for parallel channel instabilities of the reactor undergoing both in-phase and out-of-phase modes of oscillations. To analyze the relative effect on stability of the reactor due to inclusion of various ex-core components and recirculation loop, marginal stable point is obtained at a particular inlet enthalpy of the reactor core without the inclusion of ex-core components and recirculation loop and then with the inclusion of the same. Numerical simulations are also conducted to determine the relative dominance between two modes of oscillations i.e. in-phase and out-of-phase. Simulations are also carried out when the channels are subjected to asymmetric power distribution keeping the inlet enthalpy same.

Keywords: Asymmetric power distribution, Density wave oscillations, In-phase and out-of-phase modes of instabilities, Natural circulation boiling water reactor

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