Search results for: structural equation modeling

Authors: Khaled R. Khater

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The paper theme is soil retaining structures. Cantilever secant-pile wall is triggering scientific point of curiosity. Specially the capping beams structural analysis and its interaction with secant piles as one integrated matrix. It is believed that straining actions of this integrated matrix are most probably induced due to a combination of induced line load and non-uniform horizontal pile tips displacement. The strategy that followed throughout this study starts by converting the pile head horizontal displacements generated by Plaxis-2D model to a system of concentrated line load acting per meter run along the capping beam. Then, those line loads are the input data of Staad-Pro 3D-model. Those models tailored to allow the capping beam and the secant piles interacting as one matrix, i.e. a unit. It is believed that the suggested strategy presents close to real structural simulation. The above is the paper thought and methodology. Three sand densities, one pile rigidity and one excavation depth, “h = 4.0-m,” are completely sufficient to achieve the paper’s objective.

Keywords: secant piles, capping beam, analysis, design, plaxis 2D, staad pro 3D

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Authors: Anis A. Ansari, M. Kamil

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The development of 3D printing technology has allowed the manufacturing industry to create parts with a high degree of automation, increased design freedom, and improved mechanical performance. Fused deposition modelling (FDM) is a 3D printing technique in which successive layers of thermoplastic polymer are deposited and controlled to create a three-dimensional product. In this study, process parameters such as nozzle temperature and printing speed were chosen to investigate their effects on hardness properties. 3D printed specimens were fabricated by an FDM 3D printer from Polylactic acid (PLA) polymer. After analysis, it was observed that the hardness property is much influenced by print speed and nozzle temperature parameters. Maximum hardness was achieved at higher print speed which indicates that the Shore D hardness is directly proportional to the print speed. Moreover, at higher print speed, it has no significant dependence on the nozzle temperature. Hardness is also influenced by nozzle temperature, though to a lesser extent. The hardness slightly lowers when the nozzle temperature is raised from 190 to 210 oC, but due to improved bonding between each raster, a further rise in temperature increases the hardness property.

Keywords: 3D printing, fused deposition modeling (FDM), polylactic acid (PLA), print speed, nozzle temperature, hardness property

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Authors: Hak-Ryul Kim, Hyung-Geun Lee, Qi Long, Ching Hou

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Structural modification of natural lipids via chemical reaction or microbial bioconversion can change their properties or even create novel functionalities. Enzymatic oxidation of lipids leading to formation of oxylipin is one of those modifications. Hydroxy fatty acids, one of those oxylipins have gained important attentions because of their structural and functional properties compared with other non-hydroxy fatty acids. Recently 7,10-dihydroxy-8(E)-octadecenoic acid (DOD) was produced with high yield from lipid-containing oleic acid by microbial conversion, and the further study confirmed that DOD contained strong antimicrobial activities against a broad range of microorganisms. In this study, we tried to modify DOD molecules by the enzymatic or physical reaction to create new functionality or to enhance the antimicrobial activity of DOD. After modification of DOD molecules by different ways, we confirmed that the antimicrobial activity of DOD was highly enhanced and presented strong antimicrobial activities against multidrug-resistant Staphylococcus aureus, suggesting that DOD and its derivatives can be used as efficient antimicrobial agents for medical and industrial applications.

Keywords: biocatalysis, antimicrobial agent, multidrug-resistant bacteria, vegetable oil

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Authors: Joshua Adan Valdez, Shawn Gallaher

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Global climate change has impacted atmospheric temperatures contributing to rising sea levels, decreasing sea ice, and increased freshening of high latitude oceans. This freshening has contributed to increased stratification inhibiting local mixing and nutrient transport, modifying regional circulations in polar oceans. In recent years, the Western Arctic has seen an increase in freshwater volume at an average rate of 397+-116km3/year across the Beaufort Gyre. The majority of the freshwater volume resides in the Beaufort Gyre surface lens driven by anticyclonic wind forcing, sea ice melt, and Arctic river runoff, and is typically defined as water fresher than 34.8. The near-isothermal nature of Arctic seawater and non-linearities in the equation of state for near-freezing waters result in a salinity-driven pycnocline as opposed to the temperature-driven density structure seen in the lower latitudes. In this study, we investigate the relationship between freshwater content and dynamic ocean topography (DOT). In situ measurements of freshwater content are useful in providing information on the freshening rate of the Beaufort Gyre; however, their collection is costly and time-consuming. Utilizing NASA’s ICESat-2’s DOT remote sensing capabilities and Air Expendable CTD (AXCTD) data from the Seasonal Ice Zone Reconnaissance Surveys (SIZRS), a linear regression model between DOT and freshwater content is determined along the 150° west meridian. Freshwater content is calculated by integrating the volume of water between the surface and a depth with a reference salinity of ~34.8. Using this model, we compare interannual variability in freshwater content within the gyre, which could provide a future predictive capability of freshwater volume changes in the Beaufort-Chukchi Sea using non-in situ methods. Successful employment of the ICESat-2’s DOT approximation of freshwater content could potentially demonstrate the value of remote sensing tools to reduce reliance on field deployment platforms to characterize physical ocean properties.

Keywords: Cryosphere, remote sensing, Arctic oceanography, climate modeling, Ekman transport

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Authors: Zafar Mahmood, Surayya Naz, Nazir Shah Khattak

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The degree of freedom relates to our capability to observe or model the energy paths within the system. Higher the number of energy paths being modeled leaves to us a higher degree of freedom, but increasing the time and modeling complexity rendering it useless for today’s world’s need for minimum time to market. Since the number of residuals that can be uniquely isolated are dependent on the number of independent outputs of the system, increasing the number of sensors required. The examples of discrete position sensors that may be used to form an array include limit switches, Hall effect sensors, optical sensors, magnetic sensors, etc. Their mechanical design can usually be tailored to fit in the transitional path of an STME in a variety of mechanical configurations. The case studies into multi-sensor system were carried out and actual data from sensors is used to test this generic framework. It is being investigated, how the proper modeling of limit switches as timing sensors, could lead to unified and neutral residual space while keeping the implementation cost reasonably low.

Keywords: low-cost limit sensors, fault diagnostics, Single Throw Mechanical Equipment (STME), parameter estimation, parity-space

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Authors: S. M. Mahbobur Rahman

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Whole building energy simulation models are widely used for predicting future energy consumption, performance diagnosis and optimum control.  Black box building energy modeling approach has been heavily studied in the past decade. The thermal response of a building can also be modeled using a network of interconnected resistors (R) and capacitors (C) at each node called R-C network. In this study, a model building, Case 600, as described in the “Standard Method of Test for the Evaluation of Building Energy Analysis Computer Program”, ASHRAE standard 140, is studied along with a 3R2C thermal network model and the ASHRAE clear sky solar radiation model. Although building an energy model involves two important parts of building component i.e., the envelope and internal mass, the effect of building internal mass is not considered in this study. All the characteristic parameters of the building envelope are evaluated as on Case 600. Finally, monthly building energy consumption from the thermal network model is compared with a simple-box energy model within reasonable accuracy. From the results, 0.6-9.4% variation of monthly energy consumption is observed because of the south-facing windows.

Keywords: ASHRAE case study, clear sky solar radiation model, energy modeling, thermal network model

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

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

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

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Authors: Chandni Rani, S. D. Tiwari

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Ferrihydrite is one of the distinct minerals in the family of oxides, hydroxides and oxyhydroxides of iron. It is a nanocrystalline material. It occurs naturally in different sediments, soil systems and also found in the core of ferritin, an iron storage protien. This material can also be synthesized by suitable chemical methods in laboratories. This is known as less crystalline Iron (III) Oxyhydroxide. Due to its poor crystallinity, there are very broad peaks in x-ray diffraction. Depending on the number of peaks in x-ray diffraction pattern, it is classified as two lines and six lines ferrihydrite. The average crystallite size for these two forms is found to be about 2nm to 5nm. The exact crystal structure of this system is still under debate. Out of these two forms, the six lines ferrihydrite is more ordered in comparison to two lines ferrihydrite. The magnetic behavior of two lines ferrihydrite nanoparticles is somewhat well studied. But the magnetic behavior of six lines ferrihydrite nanoparticles could not attract the attention of researchers much. This motivated us to work on the magnetic properties of six lines ferrihydrite nanoparticles. In this work, we present synthesis, structural characterization and magnetic behavior of 5 nm six lines ferrihydrite nanoparticles. X-ray diffraction and transmission electron microscope are used for structural characterization of this system. Magnetization measurements are performed to fit the data at different temperatures. Then the effect of magnetic moment distribution is also found. All these observations are discussed in detail.

Keywords: nanoparticles, magnetism, superparamagnetism, magnetic anisotropy

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Authors: Tien-Hui Chiang, Q. Zhou

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For structural-functionalism, one set of the common traits of traditional professionals, such as medical practitioners and engineers, can be viewed as the criteria for evaluating whether a given occupation has the right of claiming its professional status or not. Under the influence of this professionalism, teaching practitioners have devoted themselves to acquiring this right as evidenced by the fact that initial training has been extended to even the level of postgraduate. However, for interactionalists, professionalism adopts a predetermined assumption so that it ignores the dynamic nature of social development, which is able to regulate the professional status of a given occupation. Such an interactive approach highlights the concept of professionalization. Furthermore, Marxists argue that structural-functionalists have ignored the impact of proletarianization on the white collar. While professionals gradually lose their control over their practices, the title of profession functions as a self-regulated icon that prevents them from collaborating with the working class and, in turn, creates the ideology of de-politicization sustaining the interests of the ruling class. This article adopts a theoretical analysis on these contradictory arguments. It argues that these criticisms neglect the influence of the institutionalized value system on social operation, which is the core element in sustaining the notion of the profession.

Keywords: teaching profession, professionalism, professionalization, proletarianialization, institutionalized value system

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Authors: Faranak Beigmohammadi, Seyed Hadi Peighambardoust, Seyed Jamaledin Peighambardoust

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This study undertakes to investigate the ability of different kinds of nanocomposite films made of cloisite-30B with different percentages of silver and copper oxide nanoparticles incorporated into a low-density polyethylene (LDPE) polymeric matrix by a melt mixing method in order to inhibit the growth of microorganism in soy burger. The number of surviving cell of the total count was decreased by 3.61 log and mold and yeast diminished by 2.01 log after 8 weeks storage at 18 ± 0.5°C below zero, whilst pure LDPE did not has any antimicrobial effect. A composition of 1.3 % cloisite 30B-Ag and 2.7 % cloisite 30B-CuO for total count and 0 % cloisite 30B-Ag and 4 % cloisite 30B-CuO for yeast & mold gave optimum points in combined design test in Design Expert 7.1.5. Suitable microbial models were suggested for retarding above microorganisms growth in soy burger. To validation of optimum point, the difference between the optimum point of nanocomposite film and its repeat was not significant (p<0.05) by one-way ANOVA analysis using SPSS 17.0 software, while the difference was significant for pure film. Migration of metallic nanoparticles into a food stimulant was within the accepted safe level.

Keywords: modeling, nanocomposite film, packaging, soy burger

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Authors: Julia Zimmerman, Gaurav Savant

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This study aims to evaluate the efficacy of the U.S. Army Corp of Engineers’ River Analysis System (HEC-RAS) application to modeling the hydraulics of estuaries. HEC-RAS has been broadly used for a variety of riverine applications. However, it has not been widely applied to the study of circulation in estuaries. This report details the model development and validation of a combined 1D/2D unsteady flow hydraulic model using HEC-RAS for estuaries and they are associated with tidally influenced rivers. Two estuaries, Galveston Bay and Delaware Bay, were used as case studies. Galveston Bay, a bar-built, vertically mixed estuary, was modeled for the 2005 calendar year. Delaware Bay, a drowned river valley estuary, was modeled from October 22, 2019, to November 5, 2019. Water surface elevation was used to validate both models by comparing simulation results to NOAA’s Center for Operational Oceanographic Products and Services (CO-OPS) gauge data. Simulations were run using the Diffusion Wave Equations (DW), the Shallow Water Equations, Eulerian-Lagrangian Method (SWE-ELM), and the Shallow Water Equations Eulerian Method (SWE-EM) and compared for both accuracy and computational resources required. In general, the Diffusion Wave Equations results were found to be comparable to the two Shallow Water equations sets while requiring less computational power. The 1D/2D combined approach was valid for study areas within the 2D flow area, with the 1D flow serving mainly as an inflow boundary condition. Within the Delaware Bay estuary, the HEC-RAS DW model ran in 22 minutes and had an average R² value of 0.94 within the 2-D mesh. The Galveston Bay HEC-RAS DW ran in 6 hours and 47 minutes and had an average R² value of 0.83 within the 2-D mesh. The longer run time and lower R² for Galveston Bay can be attributed to the increased length of the time frame modeled and the greater complexity of the estuarine system. The models did not accurately capture tidal effects within the 1D flow area.

Keywords: Delaware bay, estuarine hydraulics, Galveston bay, HEC-RAS, one-dimensional modeling, two-dimensional modeling

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Authors: Amira Abdelrasoul, Huu Doan, Ali Lohi

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An efficient and well-planned ultrafiltration process is becoming a necessity for monetary returns in the industrial settings. The aim of the present study was to develop a mathematical model for an accurate prediction of ultrafiltration membrane fouling of latex effluent applied to homogeneous and heterogeneous membranes with uniform and non-uniform pore sizes, respectively. The models were also developed for an accurate prediction of power consumption that can handle the large-scale purposes. The model incorporated the fouling attachments as well as chemical and physical factors in membrane fouling for accurate prediction and scale-up application. Both Polycarbonate and Polysulfone flat membranes, with pore sizes of 0.05 µm and a molecular weight cut-off of 60,000, respectively, were used under a constant feed flow rate and a cross-flow mode in ultrafiltration of the simulated paint effluent. Furthermore, hydrophilic ultrafilic and hydrophobic PVDF membranes with MWCO of 100,000 were used to test the reliability of the models. Monodisperse particles of 50 nm and 100 nm in diameter, and a latex effluent with a wide range of particle size distributions were utilized to validate the models. The aggregation and the sphericity of the particles indicated a significant effect on membrane fouling.

Keywords: membrane fouling, mathematical modeling, power consumption, attachments, ultrafiltration

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Authors: Farhan Beg, Raymond Moberly

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The Indian subcontinent is facing a massive challenge with regards to energy security in member countries, to provide reliable electricity to facilitate development across various sectors of the economy and consequently achieve the developmental targets. The instability of the current precarious situation is observable in the frequent system failures and blackouts. The deployment of interconnected electricity ‘Supergrid’ designed to carry huge quanta of power across the Indian sub-continent is proposed in this paper. Besides enabling energy security in the subcontinent, it will also provide a platform for Renewable Energy Sources (RES) integration. This paper assesses the need and conditions for a Supergrid deployment and consequently proposes a meshed topology based on Voltage Source High Voltage Direct Current (VSC-HVDC) converters for the Supergrid modeling. Various control schemes for the control of voltage and power are utilized for the regulation of the network parameters. A 3 terminal Multi Terminal Direct Current (MTDC) network is used for the simulations.

Keywords: super grid, wind and solar energy, high voltage direct current, electricity management, load flow analysis

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Authors: Ruxandra Barbulescu, Daniel Ioan, Gabriela Ciuprina

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The saltatory conduction is the way the action potential is transmitted along a myelinated axon. The potential diffuses along the myelinated compartments and it is regenerated in the Ranvier nodes due to the ion channels allowing the flow across the membrane. For an efficient simulation of populations of neurons, it is important to use reduced order models both for myelinated compartments and for Ranvier nodes and to have control over their accuracy and inner parameters. The paper presents a reduced order model of this neural system which allows an efficient simulation method for the saltatory conduction in myelinated axons. This model is obtained by concatenating reduced order linear models of 1D myelinated compartments and nonlinear 0D models of Ranvier nodes. The models for the myelinated compartments are selected from a series of spatially distributed models developed and hierarchized according to their modeling errors. The extracted model described by a nonlinear PDE of hyperbolic type is able to reproduce the saltatory conduction with acceptable accuracy and takes into account the finite propagation speed of potential. Finally, this model is again reduced in order to make it suitable for the inclusion in large-scale neural circuits.

Keywords: action potential, myelinated segments, nonlinear models, Ranvier nodes, reduced order models, saltatory conduction

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Authors: Priyanka Agrawal, Janou Koskamp, Amir Raoof, Mariette Wolthers

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Calcite is the main mineral found in carbonate rocks, which form significant hydrocarbon reservoirs and subsurface repositories for CO2 sequestration. The injected CO2 mixes with the reservoir fluid and disturbs the geochemical equilibrium, triggering calcite dissolution. Different combinations of fluid chemistry and injection rate may therefore result in different evolution of porosity, permeability and dissolution patterns. To model the changes in porosity and permeability Kozeny-Carman equation K∝〖(∅)〗^n is used, where K is permeability and ∅ is porosity. The value of n is mostly based on experimental data or pore network models. In pore network models, this derivation is based on accuracy of relation used for conductivity and pore volume change. In fact, at a single pore scale, this relationship is the result of the pore shape development due to dissolution. We have prepared a new reactive transport model for a single pore which simulates the complex chemical reaction of carbonic-acid induced calcite dissolution and subsequent pore-geometry evolution at a single pore scale. We use COMSOL Multiphysics package 5.3 for the simulation. COMSOL utilizes the arbitary-Lagrangian Eulerian (ALE) method for the free-moving domain boundary. We examined the effect of flow rate on the evolution of single pore shape profiles due to calcite dissolution. We used three flow rates to cover diffusion dominated and advection-dominated transport regimes. The fluid in diffusion dominated flow (Pe number 0.037 and 0.37) becomes less reactive along the pore length and thus produced non-uniform pore shapes. However, for the advection-dominated flow (Pe number 3.75), the fast velocity of the fluid keeps the fluid relatively more reactive towards the end of the pore length, thus yielding uniform pore shape. Different pore shapes in terms of inlet opening vs overall pore opening will have an impact on the relation between changing volumes and conductivity. We have related the shape of pore with the Pe number which controls the transport regimes. For every Pe number, we have derived the relation between conductivity and porosity. These relations will be used in the pore network model to get the porosity and permeability variation.

Keywords: single pore, reactive transport, calcite system, moving boundary

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Authors: B. Daee, H. M. El Naggar

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This paper presents an experimental study on structural performance of an innovative noise barrier consisting of poly-block, light polyurethane foam (LPF) and polyurea. This wall system (flexi-wall) is intended to be employed as a vertical extension to existing sound barriers in an accelerated construction method. To aid in the wall design, several mechanical tests were conducted on LPF specimens and two full-scale walls were then fabricated employing the same LPF material. The full-scale walls were subjected to lateral loading in order to establish their lateral resistance. A cyclic fatigue test was also performed on a full-scale flexi-wall in order to evaluate the performance of the wall under a repetitive loading condition. The result of the experiments indicated the suitability of flexi-wall in accelerated construction and confirmed that the structural performance of the wall system under lateral loading is satisfactory for the sound barrier application. The experimental results were discussed and a preliminary design procedure for application of flexi-wall in sound barrier applications was also developed.

Keywords: noise barrier, polyurethane foam, accelerated construction, full-scale experiment

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Authors: Hassiba Bougueria, Nesrine Benarous, Souheyla Chetioui

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Azo dyes are one of the most widely used compounds in organic chemistry, primarily due to their relatively simple preparation methods. They have therefore been widely used, in particular as colorants for textiles, printing inks, cosmetics, and food additives. In addition to their use as dyes, azo compounds have attracted much attention from chemists as their potential applications are important in coordination chemistry, metal-organic frameworks (MOF) structures, COF (covalent-organic frameworks), and catalysis. Moreover, they have found many applications in different fields, such as nonlinear optics, optical storage, photoluminescence, and magnetism. The compound bis{(E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate, the CuII atom is tetracoordinate with a square-planar geometry, surrounded by two bidentate (E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalene-2-olate ligands via two N atoms and two O atoms. The O-Cu-O angles and N-Cu-N are of the order of 177.90(16)° and 177.8(2)°, respectively. The distances Cu-O and Cu- N are 1.892(4) Å and 1.976(4) Å, respectively. The cohesion of the crystal is ensured by hydrogen bonds of the C—H…O type and by π=π staking interactions [centroid–centroid distance = 3.679(4)Å]. The DMSO solvent molecule is disordered at two positions with occupancy rates of 0.70 and 0.30.

Keywords: azo dyes, DRX, structural characterization, biological activity

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Authors: Abdulfetah Shobole, Arif Karakas, Ugur Savas Selamogullari, Mustafa Baysal

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The concern of reducing emissions of Co2 from the fossil fuel generating units and using renewable energy sources increased in our world. Due this fact the integration ratio of wind farms to grid reached 20-30% in some part of our world. With increased integration of large MW scaled wind farms to the electric grid, the stability of the electrical system is a great concern. Thus, operators of power systems usually deman the wind turbine generators to obey the same rules as other traditional kinds of generation, such as thermal and hydro, i.e. not affect the grid stability. FACTS devices such as SVC or STATCOM are mostly installed close to the connection point of the wind farm to the grid in order to increase the stability especially during faulty conditions. In this paper wind farm with DFIG turbine type and STATCOM are dynamically modeled and simulated under three phase short circuit fault condition. The dynamic modeling is done by DigSILENT PowerFactory for the wind farm, STATCOM and the network. The simulation results show improvement of system stability near to the connection point of the STATCOM.

Keywords: DFIG wind turbine, statcom, dynamic modeling, digsilent

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Authors: Zhengyi Kong, Xueqing Wang, Quang-Viet Vu

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In this study, the structural behavior of high strength steel (HSS) hot-finished elliptical hollow section (EHS) subjected to uniaxial eccentric compression is investigated. A finite element method for predicting the cross-section resistance of HSS hot-finished EHS is developed using ABAQUS software, which is then verified by comparison with previous experiments. The validated finite element method is employed to carry out parametric studies for investigating the structural behavior of HSS hot-finished EHS under uniaxial eccentric compression and evaluate the current design guidance for HSS hot-finished EHS. Different parameters, such as the radius of the larger and smaller outer diameter of EHS, thickness of EHS, eccentricity, and material property, are considered. The resulting data from 84 finite element models are used to obtain the relationship between the cross-section resistance of HSS hot-finished EHS and cross-section slenderness. It is concluded that current design provisions, such as EN 1993-1-1, BS 5950-1, AS4100, and Gardner et al., are conservative for predicting the HSS hot-finished EHS under uniaxial eccentric compression.

Keywords: hot-finished, elliptical hollow section, uniaxial eccentric compression, finite element method

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Authors: Wided Bakari, Patrice Bellot, Omar Trigui, Mahmoud Neji

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This article constitutes an opening to think of the modeling and analysis of Arabic texts in the context of a question-answer system. It is a question of exceeding the traditional approaches focused on morphosyntactic approaches. Furthermore, we present a new approach that analyze a text in order to extract correct answers then transform it to logical predicates. In addition, we would like to represent different levels of information within a text to answer a question and choose an answer among several proposed. To do so, we transform both the question and the text into logical forms. Then, we try to recognize all entailment between them. The results of recognizing the entailment are a set of text sentences that can implicate the user’s question. Our work is now concentrated on an implementation step in order to develop a system of question-answering in Arabic using techniques to recognize textual implications. In this context, the extraction of text features (keywords, named entities, and relationships that link them) is actually considered the first step in our process of text modeling. The second one is the use of techniques of textual implication that relies on the notion of inference and logic representation to extract candidate answers. The last step is the extraction and selection of the desired answer.

Keywords: NLP, Arabic language, question-answering, recognition text entailment, logic forms

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Authors: Karkour Selma

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We conducted first principles full potential calculations using the Wien2k code to explore the structural, electronic, magnetic, and optical properties of SiNi₂O₄, a cubic normal spinel oxide. Our calculations, based on the GGA-PBEsol of the generalized gradient approximation, revealed several key findings. The spinel oxides exhibited a stable cubic structure in the ferromagnetic phase and showed 100% spin polarization. We determined the equilibrium lattice constant and internal parameter values. In terms of the electronic properties, we observed a direct bandgap of 2.68 eV for the spin-up configuration, while the spin-down configuration exhibited an indirect bandgap of 0.82 eV. Additionally, we calculated the total density of states and partial densities for each atom, finding a magnetic moment spin density of states of 8.0 μB per formula unit. The optical properties have been calculated. The real, Ԑ₁(ω) and the imaginary, Ԑ₂(ω) parts of the complex dielectric constants, refractivity, reflection and energy loss when light scattered from the material. The absorption region spanned from 1.5 eV to 14 eV, with significant intensity. The calculated results confirm the suitability of this material for optical and spintronic devices application.

Keywords: DFT, spintronic, GGA, spinel

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Authors: H. Vahdani

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By the adsorption of polar compounds and/or the deposition of organic material, the wettability of originally water-wet reservoir rock can be altered. The degree of alteration is determined by the interaction of the oil constituents, the mineral surface, and the brine chemistry. Recently improving oil recovery by tuning wettability alteration is believed as a new recovery method. Various researchers have demonstrated that low salt water injection has a significant impact on oil recovery. It has been shown, for instance, that additional oil can be produced from reservoir rock by managing the injection water. Large wettability sensitivity has been observed, indicating that the oil/water capillary pressure profiles play a major role during low saline water injection simulation. Although the exact physics on how this alteration occurs is still a research topic; however, it has been reported that some of its effect can be captured by a relative permeability shift from an oil-wet system to a water-wet system. Modeling of low salt water injection mainly is based on the theory of wettability alteration and is hence strongly dependent on the wettability of the reservoir. In this article, combination of different wettabilities has been simulated and it is observed that the highest recoveries were from the cases were the reservoir initially was water-wet, and the lowest recoveries was from the cases were the reservoir initially was considered oil-wet. However for the cases where the reservoir initially was oil-wet, the effect of low-salinity waterflooding was the largest.

Keywords: low salt water injection, wettability alteration, modelling, relative permeability

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Authors: Zhiqiang Yan, Chen Fan, Yafei Wang, Beicheng Xia

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Urban lakes play an invaluable role in urban water systems such as flood control, water supply, and public recreation. However, over 38% of the urban lakes have suffered from severe eutrophication in China. Chlorine that could remarkably inhibit the growth of phytoplankton in eutrophic, has been widely used in the agricultural, aquaculture and industry in the recent past. However, little information has been reported regarding the effects of chlorine on the lake ecosystem, especially on the main aquatic species.To investigate the ecological response of main aquatic species and system stability to chlorine interference in shallow urban lakes, a mini system dynamic model was developed based on the competition and predation of main aquatic species and total phosphorus circulation. The main species of submerged macrophyte, phytoplankton, zooplankton, benthos, spiroggra and total phosphorus in water and sediment were used as variables in the model,while the interference of chlorine on phytoplankton was represented by an exponential attenuation equation. Furthermore, the eco-exergy expressing the development degree of ecosystem was used to quantify the complexity of the shallow urban lake. The model was validated using the data collected in the Lotus Lake in Guangzhoufrom1 October 2015 to 31 January 2016.The correlation coefficient (R), root mean square error-observations standard deviation ratio (RSR) and index of agreement (IOA) were calculated to evaluate accuracy and reliability of the model.The simulated values showed good qualitative agreement with the measured values of all components. The model results showed that chlorine had a notable inhibitory effect on Microcystis aeruginos，Rachionus plicatilis, Diaphanosoma brachyurum Liévin and Mesocyclops leuckarti (Claus).The outbreak of Spiroggra.spp. inhibited the growth of Vallisneria natans (Lour.) Hara, leading to a gradual decrease of eco-exergy and the breakdown of ecosystem internal equilibria. This study gives important insight into using chlorine to achieve eutrophication control and understand mechanism process.

Keywords: system dynamic model, urban lake, chlorine, eco-exergy

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Authors: Eranga N. Somaratna, Pradeep Dharmadasa

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In the current competitive environment, the factors leading to organization success are not limited to the investment of capital, labor, and raw material, but in the ability of knowledge innovation from all the members of an organization. However, knowledge on its own cannot provide organizations with its promised benefits unless it is shared, as organizations are increasingly experiencing unsuccessful knowledge sharing efforts. In such a backdrop and due to the dearth of research in this area in the South Asian context, the study set forth to develop an understanding of the factors that influence knowledge-sharing behavior within an organizational framework, using widely accepted social psychology theories. The purpose of the article is to discover the determinants of knowledge-sharing intention and actual knowledge sharing behaviors of bank employees in Sri Lanka using an aggregate model. Knowledge sharing intentions are widely discussed in literature through the application of Ajzen’s Theory of planned behavior (TPB) and Theory of Social Capital (SCT) separately. Both the theories are rich to explain knowledge sharing intention of workers with limitations. The study, therefore, combines the TPB with SCT in developing its conceptual model. Data were collected through a self-administrated paper-based questionnaire of 199 bank managers from 6 public and private banks of Sri Lanka and analyzed the suggested research model using Structural Equation Modelling (SEM). The study supported six of the nine hypotheses, where Attitudes toward Knowledge Sharing Behavior, Perceived Behavioral Control, Trust, Anticipated Reciprocal Relationships and Actual Knowledge Sharing Behavior were supported while Organizational Climate, Sense of Self-Worth and Anticipated Extrinsic Rewards were not, in determining knowledge sharing intentions. Furthermore, the study investigated the effect of demographic factors of bankers (age, gender, position, education, and experiences) to the actual knowledge sharing behavior. However, findings should be confirmed using a larger sample, as well as through cross-sectional studies. The results highlight the need for theoreticians to combined TPB and SCT in understanding knowledge workers’ intentions and actual behavior; and for practitioners to focus on the perceptions and needs of the individual knowledge worker and the need to cultivate a culture of sharing knowledge in the organization for their mutual benefit.

Keywords: banks, employees behavior, knowledge management, knowledge sharing

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Authors: David Pham, Yongfeng Zhang

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Graphs are an important structure for data storage and computation. Recent years have seen the success of deep learning on graphs such as Graph Neural Networks (GNN) on various data mining and machine learning tasks. However, most of the deep learning models on graphs cannot easily explain their predictions and are thus often labelled as “black boxes.” For example, Graph Attention Network (GAT) is a frequently used GNN architecture, which adopts an attention mechanism to carefully select the neighborhood nodes for message passing and aggregation. However, it is difficult to explain why certain neighbors are selected while others are not and how the selected neighbors contribute to the final classification result. In this paper, we present a graph learning model called Explainable Graph Attention Network (XGAT), which integrates graph attention modeling and explainability. We use a single model to target both the accuracy and explainability of problem spaces and show that in the context of graph attention modeling, we can design a unified neighborhood selection strategy that selects appropriate neighbor nodes for both better accuracy and enhanced explainability. To justify this, we conduct extensive experiments to better understand the behavior of our model under different conditions and show an increase in both accuracy and explainability.

Keywords: explainable AI, graph attention network, graph neural network, node classification

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Authors: Aleksandra Majchrzak, Katarzyna Baruch, Monika Sobolewska, Bartlomiej Chojnacki, Adam Pilch

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Scaled modeling is very common in the areas of science such as aerodynamics or fluid mechanics, since defining characteristic numbers enables to determine relations between objects under test and their models. In acoustics, scaled modeling is aimed mainly at investigation of room acoustics, sound insulation and sound absorption phenomena. Despite such a range of application, there is no method developed that would enable scaling acoustical perforated panels freely, maintaining their sound absorption coefficient in a desired frequency range. However, conducted theoretical and numerical analyses have proven that it is not physically possible to obtain given sound absorption coefficient in a desired frequency range by directly scaling only all of the physical dimensions of a perforated panel, according to a defined characteristic number. This paper is a continuation of the research mentioned above and presents practical evaluation of theoretical and numerical analyses. The measurements of sound absorption coefficient of perforated panels were performed in order to verify previous analyses and as a result find the relations between full-scale perforated panels and their models which will enable to scale them properly. The measurements were conducted in a one-to-eight model of a reverberation chamber of Technical Acoustics Laboratory, AGH. Obtained results verify theses proposed after theoretical and numerical analyses. Finding the relations between full-scale and modeled perforated panels will allow to produce measurement samples equivalent to the original ones. As a consequence, it will make the process of designing acoustical perforated panels easier and will also lower the costs of prototypes production. Having this knowledge, it will be possible to emulate in a constructed model panels used, or to be used, in a full-scale room more precisely and as a result imitate or predict the acoustics of a modeled space more accurately.

Keywords: characteristic numbers, dimensional analysis, model study, scaled modeling, sound absorption coefficient

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Authors: Nauman Idrees

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Modeling and simulation during the conceptual design phase are the most effective means of system testing resulting in time and cost savings as compared to the testing of hardware prototypes, which are mostly not available during the conceptual design phase. This paper uses the model-based design (MBD) method in designing the fly-by-wire flight controls system of a fighter aircraft using Simulink. The process begins with system definition and layout where modeling requirements and system components were identified, followed by hierarchical system layout to identify the sequence of operation and interfaces of system with external environment as well as the internal interface between the components. In the second step, each component within the system architecture was modeled along with its physical and functional behavior. Finally, all modeled components were combined to form the fly-by-wire flight controls system of a fighter aircraft as per system architecture developed. The system model developed using this method can be simulated using any simulation software to ensure that desired requirements are met even without the development of a physical prototype resulting in time and cost savings.

Keywords: fly-by-wire, flight controls system, model based design, Simulink

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Authors: Xiuzhan Guo, Arthur Berrill, Ajinkya Kulkarni, Kostya Belezko, Min Luo

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Ontology operations, e.g., aligning and merging, were studied and implemented extensively in different settings, such as categorical operations, relation algebras, and typed graph grammars, with different concerns. However, aligning and merging operations in the settings share some generic properties, e.g., idempotence, commutativity, associativity, and representativity, labeled by (I), (C), (A), and (R), respectively, which are defined on an ontology merging system (D~M), where D is a non-empty set of the ontologies concerned, ~ is a binary relation on D modeling ontology aligning and M is a partial binary operation on D modeling ontology merging. Given an ontology repository, a finite set O ⊆ D, its merging closure Ô is the smallest set of ontologies, which contains the repository and is closed with respect to merging. If (I), (C), (A), and (R) are satisfied, then both D and Ô are partially ordered naturally by merging, Ô is finite and can be computed, compared, and sorted efficiently, including sorting, selecting, and querying some specific elements, e.g., maximal ontologies and minimal ontologies. We also show that the ontology merging system, given by ontology V -alignment pairs and pushouts, satisfies the properties: (I), (C), (A), and (R) so that the merging system is partially ordered and the merging closure of a given repository with respect to pushouts can be computed efficiently.

Keywords: ontology aligning, ontology merging, merging system, poset, merging closure, ontology V-alignment pair, ontology homomorphism, ontology V-alignment pair homomorphism, pushout

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Authors: M. Madigoe, R. Modiba

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High alloyed beta (β) phase-stabilized titanium alloys are known to have a low elastic modulus comparable to that of the human bone (≈30 GPa). The β phase in titanium alloys exhibits an elastic Young’s modulus of about 60-80 GPa, which is nearly half that of α-phase (100-120 GPa). In this work, a theoretical investigation of structural stability and thermodynamic stability, as well as the elastic properties of a quaternary Ti-Nb-Ta-Zr alloy, will be presented with an attempt to lower Young’s modulus. The structural stability and elastic properties of the alloy were evaluated using the first-principles approach within the density functional theory (DFT) framework implemented in the CASTEP code. The elastic properties include bulk modulus B, elastic Young’s modulus E, shear modulus cʹ and Poisson’s ratio v. Thermodynamic stability, as well as the fraction of β phase in the alloy, was evaluated using the Thermo-Calc software package. Thermodynamic properties such as Gibbs free energy (Δ?⁰?) and enthalpy of formation will be presented in addition to phase proportion diagrams. The stoichiometric compositions of the alloy is Ti-Nbx-Ta5-Zr5 (x = 5, 10, 20, 30, 40 at.%). An optimum alloy composition must satisfy the Born stability criteria and also possess low elastic Young’s modulus. In addition, the alloy must be thermodynamically stable, i.e., Δ?⁰? < 0.

Keywords: elastic modulus, phase proportion diagram, thermo-calc, titanium alloys

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Authors: Sanja Podunavac-Kuzmanović, Strahinja Kovačević, Lidija Jevrić, Evgenija Djurendić, Jovana Ajduković

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In the present study, the molecular modeling of a series of 24 17-picolyl and 17-picolinylidene androstane derivatives whit significant anticancer activity was carried out. Modelling of studied compounds was performed by CS ChemBioDraw Ultra v12.0 program for drawing 2D molecular structures and CS ChemBio3D Ultra v12.0 for 3D molecular modelling. The obtained 3D structures were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. Full geometry optimization was done by the Austin Model 1 (AM1) until the root mean square (RMS) gradient reached a value smaller than 0.0001 kcal/Åmol using Molecular Orbital Package (MOPAC) program. The obtained physicochemical, lipophilicity and topological descriptors were used for analysis of molecular similarities and dissimilarities applying suitable chemometric methods (principal component analysis and cluster analysis). These results are the part of the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina and CMST COST Action CM1306.

Keywords: androstane derivatives, anticancer activity, chemometrics, molecular descriptors

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