Search results for: volumetric mass density

Authors: Lamla Thungathaa, Conrad Mahlasea, Lisa Ngcebesha

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1,4-Diamino-3,6-dinitropyrazolo[4,3-c]pyrazole (LLM-119) and its structural isomer 3,6-dinitropyrazolo[3,4-c]pyrazole-1,4(6H)-diamine were designed by structural reorientation of the fused pyrazole rings and their respective substituents (-NO2 and -NH2). Structural reorientation involves structural rearrangement which result in different structural isomers, employing this approach, six structural isomers of LLM-119 were achieved. The effect of structural reorientation (isomerisation and derivatives) on the enthalpy of formation, detonation properties, impact sensitivity, and density of these molecules is studied Computationally. The computational method used are detailed in the document and they yielded results that are close to the literature values with a relative error of 2% for enthalpy of formation, 2% for density, 0.05% for detonation velocity, and 4% for detonation pressure. The correlation of the structural reorientation to the calculated thermochemical and detonation properties of the molecules indicated that molecules with a -NO2 group attached to a Carbon atom and -NH2 connected to a Nitrogen atom maximize the enthalpy of formation and detonation velocity. The joining of pyrazole molecules has less effect on these parameters. It was seen that density and detonation pressure improved when both –NO2 or -NH2 functional groups were on the same side of the molecular structure. The structural reorientation gave rise to 3,4-dinitropyrazolo[3,4-c]pyrazole-1,6-diamine which exhibited optimal density and detonation performance compared to other molecules.

Keywords: LLM-119, fused rings, azole, structural isomers, detonation properties

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Authors: Akan C. Offong, E. J. Anthony, Vasilije Manovic

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A modified steady-state numerical model is developed for the electrochemical reduction of CO₂ to formic acid. The numerical model achieves a CD (current density) (~60 mA/cm²), FE-faradaic efficiency (~98%) and conversion (~80%) for CO₂ electro-reduction to formic acid in a microfluidic cell. The model integrates charge and species transport, mass conservation, and momentum with electrochemistry. Specifically, the influences of Bi-Sn based nanoparticle catalyst (on the cathode surface) at different mole fractions and 1-ethyl-3-methyl imidazolium tetra-fluoroborate ([EMIM][BF₄]) electrolyte, on CD, FE and CO₂ conversion to formic acid is studied. The reaction is carried out at a constant concentration of electrolyte (85% v/v., [EMIM][BF₄]). Based on the mass transfer characteristics analysis (concentration contours), mole ratio 0.5:0.5 Bi-Sn catalyst displays the highest CO₂ mole consumption in the cathode gas channel. After validating with experimental data (polarisation curves) from literature, extensive simulations reveal performance measure: CD, FE and CO₂ conversion. Increasing the negative cathode potential increases the current densities for both formic acid and H₂ formations. However, H₂ formations are minimal as a result of insufficient hydrogen ions in the ionic liquid electrolyte. Moreover, the limited hydrogen ions have a negative effect on formic acid CD. As CO₂ flow rate increases, CD, FE and CO₂ conversion increases.

Keywords: carbon dioxide, electro-chemical reduction, ionic liquids, microfluidics, modelling

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Authors: Yu-Jen Shih, Yao-Hui Hunag

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Electrocoagulation (EC) using metallic nickel foam as anode and cathode for the removal of boron from solution was studied. The electrolytic parameters included pH, current density, and initial boron concentration for optimizing the EC process. Experimental results showed that removal efficiency was increased by elevating pH from 4.0 to 8.0, and then decreased at higher pH. The electrolytic efficacy was not affected by current density. In respect of energy consumption, 1.25 mA/cm2 of current density was acceptable for an effective EC of boron, while increasing boric acid from 10 to 100 ppm-B did not impair removal efficiency too much. Cyclic voltammetry indicated that the oxide film, Ni(OH)2 and NiOOH, at specific overpotentials would result in less weight loss of anode than that predicted by the Faraday’s law. The optimal conditions under which 99.2% of boron was removed and less than 1 ppm-B remained in the electrolyte would be pH 8, four pairs of electrodes, and 1.25 mA/cm2 in 120 min as treating wastewaters containing 10 ppm-B. XRD and SEM characterization suggested that the granular crystallites of hydroxide precipitates was composed of theophrastite.

Keywords: borohydrides, hydrogen generation, NiOOH, electrocoagulation, cyclic voltammetry, boron removal

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Authors: Acumsiri Tantikarnpanit

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This paper aims to examine the relationship between urbanization and income inequality in Thailand during the period 2002–2020. Using a panel of data for 76 provinces collected from Thailand’s National Statistical Office (Labor Force Survey: LFS), as well as geospatial data from the U.S. Air Force Defense Meteorological Satellite Program (DMSP) and the Visible Infrared Imaging Radiometer Suite Day/Night band (VIIRS-DNB) satellite for nineteen selected years. This paper employs two different definitions to identify urban areas: 1) Urban areas defined by Thailand's National Statistical Office (Labor Force Survey: LFS), and 2) Urban areas estimated using nighttime light data from the DMSP and VIIRS-DNB satellite. The second method includes two sub-categories: 2.1) Determining urban areas by calculating nighttime light density with a population density of 300 people per square kilometer, and 2.2) Calculating urban areas based on nighttime light density corresponding to a population density of 1,500 people per square kilometer. The empirical analysis based on Ordinary Least Squares (OLS), fixed effects, and random effects models reveals a consistent U-shaped relationship between income inequality and urbanization. The findings from the econometric analysis demonstrate that urbanization or population density has a significant and negative impact on income inequality. Moreover, the square of urbanization shows a statistically significant positive impact on income inequality. Additionally, there is a negative association between logarithmically transformed income and income inequality. This paper also proposes the inclusion of satellite imagery, geospatial data, and spatial econometric techniques in future studies to conduct quantitative analysis of spatial relationships.

Keywords: income inequality, nighttime light, population density, Thailand, urbanization

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Authors: Hamid Mustafa, Huson J. Heather, Kim Eiusoo, Adeela Ajmal, Tad S. Sonstegard

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The objective of this study was to evaluate the informativeness of Bovine high density SNPs genotyping in Sahiwal cattle population. This is a first attempt to assess the Bovine HD SNP genotyping array in any Pakistani indigenous cattle population. To evaluate these SNPs on genome wide scale, we considered 777,962 SNPs spanning the whole autosomal and X chromosomes in Sahiwal cattle population. Fifteen (15) non related gDNA samples were genotyped with the bovine HD infinium. Approximately 500,939 SNPs were found polymorphic (MAF > 0.05) in Sahiwal cattle population. The results of this study indicate potential application of Bovine High Density SNP genotyping in Pakistani indigenous cattle population. The information generated from this array can be applied in genetic prediction, characterization and genome wide association studies of Pakistani Sahiwal cattle population.

Keywords: Sahiwal cattle, polymorphic SNPs, genotyping, Pakistan

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Authors: Joshua Garba Dodo

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Corruption has become endemic in Nigeria, affecting almost all facets of the society, thereby thwarting the effort of national development. The thrust of this paper, therefore, is to see how corruption can be brought to its barest minimum if not totally eradicated using social studies and other agents of socialization. In doing that, the paper defines the concepts of corruption, social studies, and socialization. Discourse on the causes of corruption and the effect on national development is made. The paper examines the role of social studies, family, and the mass media in tackling corruption. The paper also asserts that if an aggressive campaign is mounted by the mass media as a way of supporting the present government in her effort to solve the corruption problem in the country, it will help in changing the psyche of the citizenry about corruption. Finally, the paper recommends, among others, that families and communities should sanction their sons and daughters involved in corrupt practices if proven by a competent court of law.

Keywords: corruption, social studies, family, mass media, socialization

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Authors: Iyad Al-Attar

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Air filters are widely used in gas turbines applications to ensure that the large mass (500kg/s) of clean air reach the compressor. The continuous demand of high availability and reliability has highlighted the critical role of air filter performance in providing enhanced air quality. In addition to being challenged with different environments [tropical, coastal, hot], gas turbines confront wide array of atmospheric contaminants with various concentrations and particle size distributions that would lead to performance degradation and components deterioration. Therefore, the role of air filters is of a paramount importance since fouled compressor can reduce power output and availability of the gas turbine to over 70 % throughout operation. Consequently, accurate filter performance prediction is critical tool in their selection considering their role in minimizing the economic impact of outages. In fact, actual performance of Efficient Particulate Air [EPA] filters used in gas turbine tend to deviate from the performance predicted by laboratory results. This experimental work investigates the initial pressure drop and fractional efficiency curves of full-scale pleated V-shaped EPA filters used globally in gas turbine. The investigation involved examining the effect of different operational conditions such as flow rates [500 to 5000 m3/h] and design parameters such as pleat count [28, 30, 32 and 34 pleats per 100mm]. This experimental work has highlighted the underlying reasons behind the reduction in filter permeability due to the increase of flow rates and pleat density. The reasons, which led to surface area losses of filtration media, are due to one or combination of the following effects: pleat-crowding, deflection of the entire pleated panel, pleat distortion at the corner of the pleat and/or filtration medium compression. This paper also demonstrates that the effect of increasing the flow rate has more pronounced effect on filter performance compared to pleating density. This experimental work suggests that a valid comparison of the pleat densities should be based on the effective surface area, namely, the area that participates in the filtration process, and not the total surface area the pleat density provides. Throughout this study, optimal pleat count that satisfies both initial pressure drop and efficiency requirements may not have necessarily existed.

Keywords: filter efficiency, EPA Filters, pressure drop, permeability

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Authors: Mahfoodha Al-Kitani, Dylan Thompson, Keith Stokes

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Sickle cell disease (SCD) and sickle cell trait (SCT) are the most common hematological diseases in Oman according to the national survey of genetic blood disorders. The aim of this study was to determine markers of physical fitness and anthropometrics indices in children with sickle cell disease and children with sickle cell trait and compare them with normal healthy children of the same age. One hundred and twenty male children participated in the present study divided to three groups: 40 with sickle disease (SCD; age, 13.3(.80), height, 131.9(3.5), mass, 29.2(3.1)); 40 with sickle cell trait (SCT; age, 12.2(.80), height, 141.0(9.9), mass, 38.0(4.4)); and 40 controls with normal hemoglobin (Con; age, 12.8(.80), height, 139.4(8.7), mass, 37.2(4.3)). All children completed a 5-min running exercise test on a treadmill at speed corresponding to 5 km/hr. Heart rate and was recorded during exercise and during 10-min of recovery. Blood lactate was measured before and 5 min after the completion of exercise. Children with SCD exhibited a higher mean value (P < 0.05) for percent body fat and fat mass than the normal healthy subjects and SCT subjects. Resting values of hemoglobin were similar in SCT (11.04(.78)) and control (10.8(94)) groups, and lower in SCD (8.89(.54); P < 0.05). There was a strong correlation between peak heart rate and resting hemoglobin levels for the three groups (r= -.472. n= 120, p < .0005).The SCD group (175.2(10.3)) exhibited higher mean heart rate during exercise than those observed in the SCT (143.7(9.5)) and normal control children (144.5(22.4); P < 0.05). Additionally, SCD children showed higher serum lactate values before and after treadmill exercise compared to the other groups (P < 0.05). Children with sickle cell trait demonstrate similar physical fitness level and similar exercise responses to treadmill stress test to normal children. In contrast, SCD children have lower body mass, higher fat mass and lower physical fitness than children with SCT and healthy controls.

Keywords: sickle cell disease, sickle cell trait, children, exercise

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Authors: Mirko Ante, Şeniz Sörgel, Andreas Bund

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Li-S- (Lithium-Sulfur-) battery systems provide very high specific gravimetric energy (2600 Wh/kg) and volumetric energy density (2800Wh/l). Hence, Li-S batteries are one of the key technologies for both the upcoming electromobility and stationary applications. Furthermore, the Li-S battery system is potentially cheap and environmentally benign. However, the technical implementation suffers from cycling stability, low charge and discharge rates and incomplete understanding of the complex polysulfide reaction mechanism. The aim of this work is to develop an effective electrocatalyst for the polysulfide reactions so that the electrode kinetics of the sulfur half-cell will be improved. Accordingly, the overvoltage will be decreased, and the efficiency of the cell will be increased. An enhanced electroactive surface additionally improves the charge and discharge rates. To reach this goal, functionalized electrocatalytic coatings are investigated to accelerate the kinetics of the polysulfide reactions. In order to determine a suitable electrocatalyst, apparent exchange current densities of a variety of materials (Ni, Co, Pt, Cr, Al, Cu, ITO, stainless steel) have been evaluated in a polysulfide containing electrolyte by potentiodynamic measurements and a Butler-Volmer fit including diffusion limitation. The samples have been examined by Scanning Electron Microscopy (SEM) after the potentiodynamic measurements. Up to now, our work shows that cobalt is a promising material with good electrocatalytic properties for the polysulfide reactions and good chemical stability in the system. Furthermore, an electrodeposition from a modified Watt’s nickel electrolyte with a sulfur source seems to provide an autocatalytic effect, but the electrocatalytic behavior decreases after several cycles of the current-potential-curve.

Keywords: electrocatalyst, energy storage, lithium sulfur battery, sulfur electrode materials

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Authors: Eric Shannon, Mark J. McGuire, John P. Parmigiani

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A hazard associated with the use of timber harvesters is chain shot. Harvester saw chain is subjected to large dynamic mechanical stresses which can cause it to fracture. The resulting open loop of saw chain can fracture a second time and create a projectile consisting of several saw-chain links referred to as a chain shot. Its high kinetic energy enables it to penetrate operator enclosures and be a significant hazard. Accurate data on projectile composition, mass, and speed are needed for the design of both operator enclosures resistant to projectile penetration and for saw chain resistant to fracture. The work presented here contributes to providing this data through the use of a test machine designed and built at Oregon State University. The machine’s enclosure is a standard shipping container. To safely contain any anticipated chain shot, the container was lined with both 9.5 mm AR500 steel plates and 50 mm high-density polyethylene (HDPE). During normal operation, projectiles are captured virtually undamaged in the HDPE enabling subsequent analysis. Standard harvester components are used for bar mounting and chain tensioning. Standard guide bars and saw chains are used. An electric motor with flywheel drives the system. Testing procedures follow ISO Standard 11837. Chain speed at break was approximately 45.5 m/s. Data was collected using both a 75 cm solid bar (Oregon 752HSFB149) and 90 cm solid bar (Oregon 902HSFB149). Saw chains used were 89 Drive Link .404”-18HX loops made from factory spools. Standard 16-tooth sprockets were used. Projectile speed was measured using both a high-speed camera and a chronograph. Both rotational and translational kinetic energy are calculated. For this study 50 chain shot events were executed. Results showed that projectiles consisted of a variety combinations of drive links, tie straps, and cutter links. Most common (occurring in 60% of the events) was a drive-link / tie-strap / drive-link combination having a mass of approximately 10.33 g. Projectile mass varied from a minimum of 2.99 g corresponding to a drive link only to a maximum of 18.91 g corresponding to a drive-link / tie-strap / drive-link / cutter-link / drive-link combination. Projectile translational speed was measured to be approximately 270 m/s and rotational speed of approximately 14000 r/s. The calculated translational and rotational kinetic energy magnitudes each average over 600 J. This study provides useful information for both timber harvester manufacturers and saw chain manufacturers to design products that reduce the hazards associated with timber harvesting.

Keywords: chain shot, timber harvesters, safety, testing

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Authors: Rajendra Kumar

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We study the Electronic spectral density of a double coupled quantum dots sandwich between superconducting leads, where one of the superconducting leads (QD1) are connected with left superconductor lead and (QD1) also connected right superconductor lead. (QD1) and (QD2) are coupling to each other. The electronic spectral density through a quantum dots between superconducting leads having s-wave symmetry of the superconducting order parameter. Such junction is called superconducting –quantum dot (S-QD-S) junction. For this purpose, we have considered a renormalized Anderson model that includes the double coupled of the superconducting leads with the quantum dots level and an attractive BCS-type effective interaction in superconducting leads. We employed the Green’s function technique to obtain superconducting order parameter with the BCS framework and Ambegaoker-Baratoff formalism to analyze the electronic spectral density through such (S-QD-S) junction. It has been pointed out that electronic spectral density through such a junction is dominated by the attractive the paring interaction in the leads, energy of the level on the dot with respect to Fermi energy and also on the coupling parameter of the two in an essential way. On the basis of numerical analysis we have compared the theoretical results of electronic spectral density with the recent transport existing theoretical analysis. QDs is the charging energy that may give rise to effects based on the interplay of Coulomb repulsion and superconducting correlations. It is, therefore, an interesting question to ask how the discrete level spectrum and the charging energy affect the DC and AC Josephson transport between two superconductors coupled via a QD. In the absence of a bias voltage, a finite DC current can be sustained in such an S-QD-S by the DC Josephson effect.

Keywords: quantum dots, S-QD-S junction, BCS superconductors, Anderson model

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Authors: Lei Zhang, Jean-Michel Ghidaglia, Anela Kumbaro

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This work focuses on numerical simulation of two-phase flows based on the bi-fluid six-equation model widely used in many industrial areas, such as nuclear power plant safety analysis. A pressure-based numerical method is adopted in our studies due to the fact that in two-phase flows, it is common to have a large range of Mach numbers because of the mixture of liquid and gas, and density-based solvers experience stiffness problems as well as a loss of accuracy when approaching the low Mach number limit. This work extends the semi-implicit pressure solver in the nuclear component CUPID code, where the governing equations are solved on unstructured grids with co-located variables to accommodate complicated geometries. A conservative version of the solver is developed in order to capture exactly the shock in one-phase flows, and is extended to two-phase situations. An inter-facial pressure term is added to the bi-fluid model to make the system hyperbolic and to establish a well-posed mathematical problem that will allow us to obtain convergent solutions with refined meshes. The ability of the numerical method to treat phase appearance and disappearance as well as the behavior of the scheme at low Mach numbers will be demonstrated through several numerical results. Finally, inter-facial mass and heat transfer models are included to deal with situations when mass and energy transfer between phases is important, and associated industrial numerical benchmarks with tabulated EOS (equations of state) for fluids are performed.

Keywords: two-phase flows, numerical simulation, bi-fluid model, unstructured grids, phase appearance and disappearance

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Authors: Claudia H. Swanson, Jens Günster

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This research addresses the densification via compaction and sintering of naturally occurring rock salt which was motivated by the fact that in a saline environment rock salt is thermodynamically stable and does show a mechanical behavior compatible to the surrounding host material. The sintering of rock salt powder compacts was systematically investigated using temperature and pressure as variables for the sinter process. The behavior of rock salt showed segregations of anhydrite, CaSO4 - the major impurity found in rock salt, to the grain boundaries between individual sodium chloride crystals. Powder compacts treated with lower pressures lost those anhydrite segregates over time while high pressure treated compacts remained with anhydrite segregates. The density reached in this study is 2.008 g cm-3 corresponding to a density of 92.5 % of the theoretical value. This high density is making the sintering a promising technique for rock salt as applications in underground appropriate environment.

Keywords: rock salt, sinter, anhydrite, nuclear safety

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Authors: Jin-Uk Park

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Recently, the semiconductor industry is rapidly demanding complicated structures and mass production. From the point of view of mass production, the ETCH industry is concentrating on maintaining the ER (Etch rate) of the wafer edge constant regardless of changes over time. In this study, two major thermal factors affecting process were identified and controlled. First, the filler of the thermal pad was studied. Second, the significant difference of handling the thermal pad during PM was studied.

Keywords: etcher, thermal pad, wet cleaning, thermal conductivity

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Authors: Neetu Malik, Sharad Shrivastava, Subrata Bandhu Ghosh

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Biocomposite materials were fabricated using mixing biodegradable polymer polycaprolactone (PCL) and Thermally Exfoliated Graphene Oxide (TEGO) through solution casting. Various samples of biocomposite films were prepared by varying the TEGO wt% composition by 0.1%, 0.5%, 1% and 1.5%. Thereafter, the density and water absorption of the composites were investigated with respect to immersion time in water. The moisture absorption results show that with an increase in weight percentage (from 0.1 to wt 1.5%) of TEGO within the biopolymer films, the absorption value of bio-nanocomposite films reduced rapidly from 27.4% to 14.3%. The density of hybrid composites also increased with increase in weight percentage of TEGO. These results indicate that the optimized composition of constituents in composite membrane could effectively reduce the anhydrous conditions of bio-composite film.

Keywords: thermally exfoliated graphene oxide, PCL, water absorption, density

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Authors: A. Khodabakhshi, A. Mortazavi

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Accurate determination of rock mass deformation modulus, as an important design parameter, is one of the most controversial issues in most engineering projects. A 3D numerical model of standard plate load test (PLT) using the FLAC3D code was carried to investigate the mechanism governing the test process. Five objectives were the focus of this study. The first goal was to employ 3D modeling in the interpretation of PLT conducted at the Bazoft dam site, Iran. The second objective was to investigate the effect of displacements measuring depth from the loading plates on the calculated moduli. The magnitude of rock mass deformation modulus calculated from PLT depends on anchor depth, and in practice, this may be a cause of error in the selection of realistic deformation modulus for the rock mass. The third goal of the study was to investigate the effect of testing plate diameter on the calculated modulus. Moreover, a comparison of the calculated modulus from ISRM formula, numerical modeling and calculated modulus from the actual PLT carried out at right abutment of the Bazoft dam site was another objective of the study. Finally, the effect of plastic strains on the calculated moduli in each of the loading-unloading cycles for three loading plates was investigated. The geometry, material properties, and boundary conditions on the constructed 3D model were selected based on the in-situ conditions of PLT at Bazoft dam site. A good agreement was achieved between numerical model results and the field tests results.

Keywords: deformation modulus, numerical model, plate loading test, rock mass

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Authors: Minho Bang, Seok Min Choi, Jun Su Park, Hokyu Moon, Hyung Hee Cho

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Present study investigates the effect of unsteady wakes on heat transfer in blade tip. Heat/mass transfer was measured in blade tip region depending on a variety of strouhal number by naphthalene sublimation technique. Naphthalene sublimation technique measures heat transfer using a heat/mass transfer analogy. Experiments are performed in linear cascade which is composed of five turbine blades and rotating rods. Strouhal number of inlet flow are changed ranging from 0 to 0.22. Reynolds number is 100,000 based on 11.4 m/s of outlet flow and axial chord length. Three different squealer tip geometries such as base squealer tip, vertical rib squealer tip, and camber line squealer tip are used to study how unsteady wakes affect heat transfer on a blade tip. Depending on squealer tip geometry, different flow patterns occur on a blade tip. Also, unsteady wakes cause reduced tip leakage flow and turbulent flow. As a result, as strouhal number increases, heat/mass transfer coefficients decrease due to the reduced leakage flow. As strouhal number increases, heat/ mass transfer coefficients on a blade tip increase in vertical rib squealer tip.

Keywords: gas turbine, blade tip, heat transfer, unsteady wakes

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Authors: Falek Kamel

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Various approaches are usually used in the dynamic analysis of beams vibrating transversally. For this, numerical methods allowing the solving of the general eigenvalue problem are utilized. The equilibrium equations describe the movement resulting from the solution of a fourth-order differential equation. Our investigation is based on the finite element method. The findings of these investigations are the vibration frequencies obtained by the Jacobi method. Two types of the elementary mass matrix are considered, representing a uniform distribution of the mass along with the element and concentrated ones located at fixed points whose number is increased progressively separated by equal distances at each evaluation stage. The studied beams have different boundary constraints representing several classical situations. Comparisons are made for beams where the distributed mass is replaced by n concentrated masses. As expected, the first calculus stage is to obtain the lowest number of beam parts that gives a frequency comparable to that issued from the Rayleigh formula. The obtained values are then compared to theoretical results based on the assumptions of the Bernoulli-Euler theory. These steps are used for the second type of mass representation in the same manner.

Keywords: structural elements, beams vibrating, dynamic analysis, finite element method, Jacobi method

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Authors: Vladyslav Povoroznyuk, Galina Dubetska, Roksolana Povoroznyuk

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In recent years, the problem of hyperuricemia is getting a particular importance due to its increased incidence in the world population. The aim of this study was to determine uriс acid level in blood serum, incidence of hyperuricemia among women in postmenopausal period and their association with body mass index and some components of metabolic syndrome (triglyceride, cholesterol, systolic and diastolic pressure). We examined 412 women in postmenopausal period. They were divided in to the following groups: I group (BMI = 18,5-24,9), II group (BMI = 25,0-29,9), III group (BMI = 30,0-34,9), IV group (BMI > 35). We determined uric acid level among women during postmenopausal period depending on their body mass index. The higher level of uric acid was found in patients with the maximal body mass index (BMI > 35). In the I group it was 277,52 ± 8,40; in the II group – 286,81 ± 7,79; in the III group – 291,81 ± 7,56; in the IV group – 327,17 ± 12,17. Incidence of hyperuricemia among women in the I group was 10,2%, in the II group – 15,9%; in the III group – 21,2%, in the IV group – 34,2%. We found an interdependence between an uric acid level and BMI in the examined women (r = 0,21, p < 0,05). We determined that the highest level of triglyceride (F = 18,62, p < 0,05), cholesterol (F = 3,64, p < 0,05), atherogenic coefficient (F = 22,64, p < 0,05), systolic (F = 10,5, p < 0,05) and diastolic pressure (F = 4,30, p < 0,05) was among women with hyperuricemia. It was an interdependence between an uric acid level and triglyceride (r = 0,26, p < 0,05), atherogenic coefficient (r = 0,24, p < 0,05) among women in postmenopausal period.

Keywords: hyperuricemia, uric acid, body mass index, women

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Authors: Waris Piyaphon, Sathaphorn O-Suwankul, Kittima Bootdee, Manit Nithitanakul

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Starch from rice was used as a filler in low density polyethylene in preparation of low density polyethylene/rice starch composite. This study aims to prepare LDPE/rice starch composites. Glycerol (GC) was used as a plasticizer in order to increase dispersion and reduce agglomeration of rice starch in low density polyethylene (LDPE) matrix. Low density polyethylene grafted maleic anhydride (LDPE-g-MA) was used as a compatibilizer to increase the compatibility between LDPE and rice starch. The content of rice starch was varied between 10, 20, and 30 %wt. Results indicated that increase of rice starch content reduced tensile strength at break, elongation, and impact strength of composites. LDPE-g-MA showed positive effect on mechanical properties which increased in tensile strength and impact properties as well as compatibility between rice starch and LDPE matrix. Moreover, the addition of LDPE-g-MA significantly improved the impact strength by 50% compared to neat composite. The incorporation of GC enhanced the processability of composite. Introduction of GC affected the viscosity after blending by reducing the viscosity at all shear rate. The presence of plasticizer increased the impact strength but decreased the stiffness of composite. Water absorption of the composite was increased when plasticizer was added.

Keywords: composite material, plastic starch composite, polyethylene composite, PE grafted maleic anhydride

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Authors: T. Zergoug, S. E. H. Abaidia, A. Nedjar, M. Y. Mokeddem

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Physical properties of uranium di-nitride (UN2) were investigated in detail using first principles calculations based on density functional theory. To treat the strong correlation effects caused by 5f Uranium valence electrons, on-site Coulomb interaction correction via the Hubbard-like term, U (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard U is strong like Young modulus but for others it is weakly noticeable such as the density of state (DOS) or bulk modulus. We noticed also that up from U=7.5 eV, elastic results become not conform to the cubic cell elastic criteria since the C44 values turn out to be negative.

Keywords: uranium diNitride, UN2, DFT+U, elastic properties

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Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

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A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

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Authors: Saleem Z. Ramadan

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The material selection problem is concerned with the determination of the right material for a certain product to optimize certain performance indices in that product such as mass, energy density, and power-to-weight ratio. This paper is concerned about optimizing the selection of the manufacturing process along with the material used in the product under performance indices and availability constraints. In this paper, the material selection problem is formulated using binary programming and solved by genetic algorithm. The objective function of the model is to minimize the total manufacturing cost under performance indices and material and manufacturing process availability constraints.

Keywords: optimization, material selection, process selection, genetic algorithm

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Authors: Fatemeh Safdari, Amirnaser Shamkhali, Gholamabbas Parsafar

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Carbon nanostructures are of great importance in academic research and industry, which can be mentioned to chemical sensors, catalytic processes, pharmaceutical and environmental issues. Common point in all of these applications is the occurrence of adsorption of molecules on these structures. Important carbon nanostructures in this case are mainly nanotubes and graphene. To modify pure graphene, recently, many experimental and theoretical studies have carried out to investigate of metal adsorption on graphene. In this work, the adsorption of CO molecules on pure graphene and on metal adatom on graphene surface has been simulated based on density functional theory (DFT). All calculations were performed by PBE functional and Troullier-Martins pseudopotentials. Density of states (DOS) for graphene-CO, graphen and CO around the Fermi energy has been moved and very small mixing occured which implies the physisorption of CO on the bare graphen surface. While, the results have showed that CO adsorption on transition-metal adatom on graphene surface is chemisorption.

Keywords: adsorption, density functional theory, graphene, metal adatom

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Authors: Khlifa El Atrash, Gabriel Assaf

Abstract:

Libya uses a volumetric analysis in designing asphalt mixtures, which can also be upgraded in hot, arid weather. However, in order to be effective, it should include many important aspects which are materials, environment, and method of construction. However, the quality of some roads was below a satisfactory level. This paper examines the factors that contribute to low quality of road performance in Libya. To evaluate these factors, a questionnaire survey and a laboratory comparative study were performed for a few mixes under-represented of temperature and traffic load. In laboratory, rutting test conducted on two different asphalt mixture, these mixes included, an asphalt concrete mix using local aggregate and asphalt binder B(60/70) at the optimum Marshall asphalt content, another mixes designed using Superpave design procedure with the same materials and performance asphalt binder grade PG (70-10). In the survey, the questionnaire was distributed to 55 engineers and specialists in this field. The interview was conducted to a few others, and the factors that were leading to poor performance of asphalt roads were listed as; 1) Owner Experience and technical staff 2) Asphalt characteristics 3) Updating and development of Asphalt Mix Design methods 4) Lack of data collection by authorization Agency 5) Construction and compaction process 6) Mentoring and controlling mixing procedure. Considering and improving these factors will play an important role to improve the pavement performances, longer service life, and lower maintenance costs. This research summarized some recommendations for making asphalt mixtures used in hot, dry areas. Such asphalt mixtures should use asphalt binder which is less affected by pavement temperature change and traffic load. The properties of the mixture, such as durability, deformation, air voids, and performance, largely depend on the type of materials, environment, and mixing method. These properties, in turn, affect the pavement performance.

Keywords: volumetric analysis, pavement performances, hot climate, traffic load, pavement temperature, asphalt mixture, environment, design and construction

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Authors: Yaping Zhao

Abstract:

In the present study, the exact solutions for the steady response of quasi-linear systems under non-white wide-band random excitation are considered by means of the stochastic averaging method. The non linearity of the systems contains the power-law damping and the cross-product term of the power-law damping and displacement. The drift and diffusion coefficients of the Fokker-Planck-Kolmogorov (FPK) equation after averaging are obtained by a succinct approach. After solving the averaged FPK equation, the joint probability density function and the marginal probability density function in steady state are attained. In the process of resolving, the eigenvalue problem of ordinary differential equation is handled by integral equation method. Some new results are acquired and the novel method to deal with the problems in nonlinear random vibration is proposed.

Keywords: random vibration, stochastic averaging method, FPK equation, transition probability density

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Authors: Moulay Driss Mellaoui, Abdallah Imjjad, Rachid Boutiddar, Haydar Mohammad-Salim, Nivedita Acharjee, Hassan Bourzi, Souad El Issami, Khalid Abbiche, Hanane Zejli

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We have investigated the underlying molecular processes involved in the [3+2] cycloaddition (32CA) reactions between N-methyl-C-(2-furyl) nitrone and three acetylene derivatives: 4b, 5b, and 6b. For this investigation, we utilized molecular electron density theory (MEDT) and density functional theory (DFT) methods at the B3LYP-D3/6 31G (d) computational level. These 32CA reactions, which exhibit a zwitterionic (zw-type) nature, proceed through a one-step mechanism with activation enthalpies ranging from 8.80 to 14.37 kcal mol−1 in acetonitrile and ethanol solvents. When the nitrone reacts with phenyl methyl propiolate (4b), two regioisomeric pathways lead to the formation of two products: P1,5-4b and P1,4-4b. On the other hand, when the nitrone reacts with dimethyl acetylene dicarboxylate (5b) and acetylene dicarboxylic acid (but-2-ynedioic acid) (6b), it results in the formation of a single product. Through topological analysis, we can categorize the nitrone as a zwitterionic three-atom component (TAC). Furthermore, the analysis of conceptual density functional theory (CDFT) indices classifies the 32CA reactions of the nitrone with 4b, 5b, and 6b as forward electron density flux (FEDF) reactions. The study of bond evolution theory (BET) reveals that the formation of new C-C and C-O covalent bonds does not initiate in the transition states, as the intermediate stages of these reactions display pseudoradical centers of the atoms already involved in bonding.

Keywords: 4-isoxazoline, DFT/B3LYP-D3, regioselectivity, cycloaddition reaction, MEDT, ELF

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Authors: Aileen F. Wang

Abstract:

Mammography has been one of the most reliable methods for early detection and diagnosis of breast cancer. However, mammography misses about 17% and up to 30% of breast cancers due to the subtle and unstable appearances of breast cancer in their early stages. Recent computer-aided diagnosis (CADx) technology using Zernike moments has improved detection accuracy. However, it has several drawbacks: it uses manual segmentation, Zernike moments are not robust, and it still has a relatively high false negative rate (FNR)–17.6%. This project will focus on the development of a novel breast cancer detection algorithm to automatically segment the breast mass and further reduce FNR. The algorithm consists of automatic segmentation of a single breast mass using Point Region Growing Segmentation, reconstruction of the segmented breast mass using Pseudo-Zernike moments, and classification of the breast mass using the root mean square (RMS). A comparative study among the various algorithms on the segmentation and reconstruction of breast masses was performed on randomly selected mammographic images. The results demonstrated that the newly developed algorithm is the best in terms of accuracy and cost effectiveness. More importantly, the new classifier RMS has the lowest FNR–6%.

Keywords: computer aided diagnosis, mammography, point region growing segmentation, pseudo-zernike moments, root mean square

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Authors: Faiz N. K. Yusufi, Aquil Ahmed, Jamal Ahmad

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Predicting the risk of diabetic retinopathy (DR) in Indian type 2 diabetes patients is immensely necessary. India, being the second largest country after China in terms of a number of diabetic patients, to the best of our knowledge not a single risk score for complications has ever been investigated. Diabetic retinopathy is a serious complication and is the topmost reason for visual impairment across countries. Any type or form of DR has been taken as the event of interest, be it mild, back, grade I, II, III, and IV DR. A sample was determined and randomly collected from the Rajiv Gandhi Centre for Diabetes and Endocrinology, J.N.M.C., A.M.U., Aligarh, India. Collected variables include patients data such as sex, age, height, weight, body mass index (BMI), blood sugar fasting (BSF), post prandial sugar (PP), glycosylated haemoglobin (HbA1c), diastolic blood pressure (DBP), systolic blood pressure (SBP), smoking, alcohol habits, total cholesterol (TC), triglycerides (TG), high density lipoprotein (HDL), low density lipoprotein (LDL), very low density lipoprotein (VLDL), physical activity, duration of diabetes, diet control, history of antihypertensive drug treatment, family history of diabetes, waist circumference, hip circumference, medications, central obesity and history of DR. Cox proportional hazard regression is used to design risk scores for the prediction of retinopathy. Model calibration and discrimination are assessed from Hosmer Lemeshow and area under receiver operating characteristic curve (ROC). Overfitting and underfitting of the model are checked by applying regularization techniques and best method is selected between ridge, lasso and elastic net regression. Optimal cut off point is chosen by Youden’s index. Five-year probability of DR is predicted by both survival function, and Markov chain two state model and the better technique is concluded. The risk scores developed can be applied by doctors and patients themselves for self evaluation. Furthermore, the five-year probabilities can be applied as well to forecast and maintain the condition of patients. This provides immense benefit in real application of DR prediction in T2DM.

Keywords: Cox proportional hazard regression, diabetic retinopathy, ROC curve, type 2 diabetes mellitus

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Authors: Reza Miresmaeili, Asghar Heydari Astaraee, Fereshteh Dolati

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In the present study, an analytical model based on dislocation density model was developed to simulate grain refinement in surface mechanical attrition treatment (SMAT). The correlation between SMAT time and development in plastic strain on one hand, and dislocation density evolution, on the other hand, was established to simulate the grain refinement in SMAT. A dislocation density-based constitutive material law was implemented using VUHARD subroutine. A random sequence of shots is taken into consideration for multiple impacts model using Python programming language by utilizing a random function. The simulation technique was to model each impact in a separate run and then transferring the results of each run as initial conditions for the next run (impact). The developed Finite Element (FE) model of multiple impacts describes the coverage evolution in SMAT. Simulations were run to coverage levels as high as 4500%. It is shown that the coverage implemented in the FE model is equal to the experimental coverage. It is depicted that numerical SMAT coverage parameter is adequately conforming to the well-known Avrami model. Comparison between numerical results and experimental measurements for residual stresses and depth of deformation layers confirms the performance of the established FE model for surface engineering evaluations in SMA treatment. X-ray diffraction (XRD) studies of grain refinement, including resultant grain size and dislocation density, were conducted to validate the established model. The full width at half-maximum in XRD profiles can be used to measure the grain size. Numerical results and experimental measurements of grain refinement illustrate good agreement and show the capability of established FE model to predict the gradient microstructure in SMA treatment.

Keywords: dislocation density, grain refinement, severe plastic deformation, simulation, surface mechanical attrition treatment

Procedia PDF Downloads 133