Search results for: electron charge density
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 6244

Search results for: electron charge density

4414 Electromagnetic Modeling of a MESFET Transistor Using the Moments Method Combined with Generalised Equivalent Circuit Method

Authors: Takoua Soltani, Imen Soltani, Taoufik Aguili

Abstract:

The communications' and radar systems' demands give rise to new developments in the domain of active integrated antennas (AIA) and arrays. The main advantages of AIA arrays are the simplicity of fabrication, low cost of manufacturing, and the combination between free space power and the scanner without a phase shifter. The integrated active antenna modeling is the coupling between the electromagnetic model and the transport model that will be affected in the high frequencies. Global modeling of active circuits is important for simulating EM coupling, interaction between active devices and the EM waves, and the effects of EM radiation on active and passive components. The current review focuses on the modeling of the active element which is a MESFET transistor immersed in a rectangular waveguide. The proposed EM analysis is based on the Method of Moments combined with the Generalised Equivalent Circuit method (MOM-GEC). The Method of Moments which is the most common and powerful software as numerical techniques have been used in resolving the electromagnetic problems. In the class of numerical techniques, MOM is the dominant technique in solving of Maxwell and Transport’s integral equations for an active integrated antenna. In this situation, the equivalent circuit is introduced to the development of an integral method formulation based on the transposition of field problems in a Generalised equivalent circuit that is simpler to treat. The method of Generalised Equivalent Circuit (MGEC) was suggested in order to represent integral equations circuits that describe the unknown electromagnetic boundary conditions. The equivalent circuit presents a true electric image of the studied structures for describing the discontinuity and its environment. The aim of our developed method is to investigate the antenna parameters such as the input impedance and the current density distribution and the electric field distribution. In this work, we propose a global EM modeling of the MESFET AsGa transistor using an integral method. We will begin by describing the modeling structure that allows defining an equivalent EM scheme translating the electromagnetic equations considered. Secondly, the projection of these equations on common-type test functions leads to a linear matrix equation where the unknown variable represents the amplitudes of the current density. Solving this equation resulted in providing the input impedance, the distribution of the current density and the electric field distribution. From electromagnetic calculations, we were able to present the convergence of input impedance for different test function number as a function of the guide mode numbers. This paper presents a pilot study to find the answer to map out the variation of the existing current evaluated by the MOM-GEC. The essential improvement of our method is reducing computing time and memory requirements in order to provide a sufficient global model of the MESFET transistor.

Keywords: active integrated antenna, current density, input impedance, MESFET transistor, MOM-GEC method

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4413 Economic Valuation of Forest Landscape Function Using a Conditional Logit Model

Authors: A. J. Julius, E. Imoagene, O. A. Ganiyu

Abstract:

The purpose of this study is to estimate the economic value of the services and functions rendered by the forest landscape using a conditional logit model. For this study, attributes and levels of forest landscape were chosen; specifically, attributes include topographical forest type, forest type, forest density, recreational factor (side trip, accessibility of valley), and willingness to participate (WTP). Based on these factors, 48 choices sets with balanced and orthogonal form using statistical analysis system (SAS) 9.1 was adopted. The efficiency of the questionnaire was 6.02 (D-Error. 0.1), and choice set and socio-economic variables were analyzed. To reduce the cognitive load of respondents, the 48 choice sets were divided into 4 types in the questionnaire, so that respondents could respond to 12 choice sets, respectively. The study populations were citizens from seven metropolitan cities including Ibadan, Ilorin, Osogbo, etc. and annual WTP per household was asked by using the interview questionnaire, a total of 267 copies were recovered. As a result, Oshogbo had 0.45, and the statistical similarities could not be found except for urban forests, forest density, recreational factor, and level of WTP. Average annual WTP per household for forest landscape was 104,758 Naira (Nigerian currency) based on the outcome from this model, total economic value of the services and functions enjoyed from Nigerian forest landscape has reached approximately 1.6 trillion Naira.

Keywords: economic valuation, urban cities, services, forest landscape, logit model, nigeria

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4412 Multi-Functional Metal Oxides as Gas Sensors, Photo-Catalysts and Bactericides

Authors: Koyar Rane

Abstract:

Nano- to submicron size particles of narrow particle size distribution of semi-conducting TiO₂, ZnO, NiO, CuO, Fe₂O₃ have been synthesized by novel hydrazine method and tested for their gas sensing, photocatalytic and bactericidal activities and the behavior found to be enhanced when the oxides in the thin film forms, that obtained in a specially built spray pyrolysis reactor. Hydrazine method is novel in the sense, say, the UV absorption edge of the white pigment grade wide band gap (~3.2eV) TiO₂ and ZnO shifted to the visible region turning into yellowish particles, indicating modification occurring the band structure. The absorption in the visible region makes these oxides visible light sensitive photocatalysis in degrading pollutants, especially the organic dyes which otherwise increase the chemical oxygen demand of the drinking water, enabling the process feasible not under the harsh energetic UV radiation regime. The electromagnetic radiations on irradiation produce electron-hole pairs Semiconductor + hν → e⁻ + h⁺ The electron-hole pairs thus produced form Reactive Oxygen Species, ROS, on the surface of the semiconductors, O₂(adsorbed)+e⁻ → O₂• - superoxide ion OH-(surface)+h⁺ →•OH - Hydroxyl radical The ROS attack the organic material and micro-organisms. Our antibacterial studies indicate the metal oxides control the Biological Oxygen Demand (BOD) of drinking water which had beyond the safe level normally found in the municipal supply. Metal oxides in the thin film form show overall enhanced properties and the films are reusable. The results of the photodegradation and antibactericidal studies are discussed. Gas sensing studies too have been done to find the versatility of the multifunctional metal oxides.

Keywords: hydrazine method, visible light sensitive, photo-degradation of dyes, water/airborne pollutant

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4411 Formation of ZnS/ZnO Heterojunction for Photocatalytic Hydrogen Evolution Using Partial Oxidation and Chemical Precipitation Synthesis Methods

Authors: Saba Didarataee, Abbas Ali Khodadadi, Yadollah Mortazavi, Fatemeh Mousavi

Abstract:

Photocatalytic water splitting is one of the most attractive alternative methods for hydrogen evolution. A variety of nanoparticle engineering techniques were introduced to improve the activity of semiconductor photocatalysts. Among these methods, heterojunction formation is an appealing method due to its ability to effectively preventing electron-hole recombination and improving photocatalytic activity. Reaching an optimal ratio of the two target semiconductors for the formation of heterojunctions is still an open question. Considering environmental issues as well as the cost and availability, ZnS and ZnO are frequently studied as potential choices. In this study, first, the ZnS nanoparticle was synthesized in a hydrothermal process; the formation of ZnS nanorods with a diameter of 14-30 nm was confirmed by field emission scanning electron microscope (FESEM). Then two different methods, partial oxidation and chemical precipitation were employed to construct ZnS/ZnO core-shell heterojunction. X-ray diffraction (XRD), BET, and diffuse reflectance spectroscopy (DRS) analysis were carried out to determine crystallite phase, surface area, and bandgap of photocatalysts. Furthermore, the temperature of oxidation was specified by a temperature programmed oxidation (TPO) and was fixed at 510℃, at which mild oxidation occurred. The bandgap was calculated by the Kubelka-Munk method and decreased by increasing oxide content from 3.53 (pure ZnS) to 3.18 (pure ZnO). The optimal samples were determined by testing the photocatalytic activity of hydrogen evolution in a quartz photoreactor with side irradiation of UVC lamps with a wavelength of 254 nm. In both procedures, it was observed that the photocatalytic activity of the ZnS/ZnO composite was sensibly higher than the pure ZnS and ZnO, which is attributed to forming a type-II heterostructure. The best ratio of oxide to sulfide was 0.24 and 0.37 in partial oxidation and chemical precipitation, respectively. The highest hydrogen evolution was 1081 µmol/gr.h, gained from partial oxidizing of ZnS nanoparticles at 510℃ for 30 minutes.

Keywords: heterostructure, hydrogen, partial oxidation, photocatalyst, water splitting, ZnS

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4410 Response of Full-Scale Room Building Against Blast Loading

Authors: Eid Badshah, Amjad Naseer, Muhammad Ashraf

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In this paper full-scale brick masonry room along with the veranda of a typical school building was subjected to eight successive blast tests with increasing charge weights ranging from 0.5kg to 16.02kg at 3.66m fixed stand-off distance. Pressure-time histories were obtained by data acquisition system from pressure sensors, installed on different points of room as well as veranda columns. The resulting damage pattern of different locations was observed during each test. Weak zones of masonry room were identified. Scaled distances for different damage levels in masonry room were experimentally obtained. The results provided a basis for determining the response of masonry room building against blast loading in a specific threat scenario.

Keywords: peak pressure, composition-B, TNT, pressure sensor, scaled distance, masonry

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4409 Window Opening Behavior in High-Density Housing Development in Subtropical Climate

Authors: Minjung Maing, Sibei Liu

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This research discusses the results of a study of window opening behavior of large housing developments in the high-density megacity of Hong Kong. The methods used for the study involved field observations using photo documentation of the four cardinal elevations (north, south-east, and west) of two large housing developments in a very dense urban area of approx. 46,000 persons per square meter within the city of Hong Kong. The targeted housing developments (A and B) are large public housing with a population of about 13,000 in each development of lower income. However, the mean income level in development A is about 40% higher than development B and home ownership is 60% in development A and 0% in development B. Mapping of the surrounding amenities and layout of the developments were also studied to understand the available activities to the residents. The photo documentation of the elevations was taken from November 2016 to February 2018 to gather a full spectrum of different seasons and both in the morning and afternoon (am/pm) times. From the photograph, the window opening behavior was measured by counting the amount of windows opened as a percentage of all the windows on that façade. For each date of survey data collected, weather data was recorded from weather stations located in the same region to collect temperature, humidity and wind speed. To further understand the behavior, simulation studies of microclimate conditions of the housing development was conducted using the software ENVI-met, a widely used simulation tool by researchers studying urban climate. Four major conclusions can be drawn from the data analysis and simulation results. Firstly, there is little change in the amount of window opening during the different seasons within a temperature range of 10 to 35 degrees Celsius. This means that people who tend to open their windows have consistent window opening behavior throughout the year and high tolerance of indoor thermal conditions. Secondly, for all four elevations the lower-income development B opened more windows (almost two times more units) than higher-income development A meaning window opening behavior had strong correlations with income level. Thirdly, there is a lack of correlation between outdoor horizontal wind speed and window opening behavior, as the changes of wind speed do not seem to affect the action of opening windows in most conditions. Similar to the low correlation between horizontal wind speed and window opening percentage, it is found that vertical wind speed also cannot explain the window opening behavior of occupants. Fourthly, there is a slightly higher average of window opening on the south elevation than the north elevation, which may be due to the south elevation being well shaded from high angle sun during the summer and allowing heat into units from lower angle sun during the winter season. These findings are important to providing insight into how to better design urban environments and indoor thermal environments for a liveable high density city.

Keywords: high-density housing, subtropical climate, urban behavior, window opening

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4408 An Investigation into the Influence of Compression on 3D Woven Preform Thickness and Architecture

Authors: Calvin Ralph, Edward Archer, Alistair McIlhagger

Abstract:

3D woven textile composites continue to emerge as an advanced material for structural applications and composite manufacture due to their bespoke nature, through thickness reinforcement and near net shape capabilities. When 3D woven preforms are produced, they are in their optimal physical state. As 3D weaving is a dry preforming technology it relies on compression of the preform to achieve the desired composite thickness, fibre volume fraction (Vf) and consolidation. This compression of the preform during manufacture results in changes to its thickness and architecture which can often lead to under-performance or changes of the 3D woven composite. Unlike traditional 2D fabrics, the bespoke nature and variability of 3D woven architectures makes it difficult to know exactly how each 3D preform will behave during processing. Therefore, the focus of this study is to investigate the effect of compression on differing 3D woven architectures in terms of structure, crimp or fibre waviness and thickness as well as analysing the accuracy of available software to predict how 3D woven preforms behave under compression. To achieve this, 3D preforms are modelled and compression simulated in Wisetex with varying architectures of binder style, pick density, thickness and tow size. These architectures have then been woven with samples dry compression tested to determine the compressibility of the preforms under various pressures. Additional preform samples were manufactured using Resin Transfer Moulding (RTM) with varying compressive force. Composite samples were cross sectioned, polished and analysed using microscopy to investigate changes in architecture and crimp. Data from dry fabric compression and composite samples were then compared alongside the Wisetex models to determine accuracy of the prediction and identify architecture parameters that can affect the preform compressibility and stability. Results indicate that binder style/pick density, tow size and thickness have a significant effect on compressibility of 3D woven preforms with lower pick density allowing for greater compression and distortion of the architecture. It was further highlighted that binder style combined with pressure had a significant effect on changes to preform architecture where orthogonal binders experienced highest level of deformation, but highest overall stability, with compression while layer to layer indicated a reduction in fibre crimp of the binder. In general, simulations showed a relative comparison to experimental results; however, deviation is evident due to assumptions present within the modelled results.

Keywords: 3D woven composites, compression, preforms, textile composites

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4407 Family Succession and Cost of Bank Loans: Evidence from China

Authors: Tzu-Ching Weng, Hsin-Yi Chi

Abstract:

This study examines the effect of family succession on the cost of bank loans and non-price contractual terms. We use a unique dataset from China and find that lending banks are likely to charge high-interest rates and offer tight contractual terms, such as loan maturity and collateral requirement, for family succession firms. These findings indicate that information and default risks may arise after subsequent family successions. We also find that family succession firms can reduce the cost of bank loans by hiring top-tier auditors to enhance financial reporting credibility. This finding suggests that professional and high-quality auditors can provide extremely valuable services to family succession firms.

Keywords: family succession, cost of bank loans, loan contract terms, top-tier auditor

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4406 Piezotronic Effect on Electrical Characteristics of Zinc Oxide Varistors

Authors: Nadine Raidl, Benjamin Kaufmann, Michael Hofstätter, Peter Supancic

Abstract:

If polycrystalline ZnO is properly doped and sintered under very specific conditions, it shows unique electrical properties, which are indispensable for today’s electronic industries, where it is used as the number one overvoltage protection material. Under a critical voltage, the polycrystalline bulk exhibits high electrical resistance but becomes suddenly up to twelve magnitudes more conductive if this voltage limit is exceeded (i.e., varistor effect). It is known that these peerless properties have their origin in the grain boundaries of the material. Electric charge is accumulated in the boundaries, causing a depletion layer in their vicinity and forming potential barriers (so-called Double Schottky Barriers, or DSB) which are responsible for the highly non-linear conductivity. Since ZnO is a piezoelectric material, mechanical stresses induce polarisation charges that modify the DSB heights and as a result the global electrical characteristics (i.e., piezotronic effect). In this work, a finite element method was used to simulate emerging stresses on individual grains in the bulk. Besides, experimental efforts were made to testify a coherent model that could explain this influence. Electron back scattering diffraction was used to identify grain orientations. With the help of wet chemical etching, grain polarization was determined. Micro lock-in infrared thermography (MLIRT) was applied to detect current paths through the material, and a micro 4-point probes method system (M4PPS) was employed to investigate current-voltage characteristics between single grains. Bulk samples were tested under uniaxial pressure. It was found that the conductivity can increase by up to three orders of magnitude with increasing stress. Through in-situ MLIRT, it could be shown that this effect is caused by the activation of additional current paths in the material. Further, compressive tests were performed on miniaturized samples with grain paths containing solely one or two grain boundaries. The tests evinced both an increase of the conductivity, as observed for the bulk, as well as a decreased conductivity. This phenomenon has been predicted theoretically and can be explained by piezotronically induced surface charges that have an impact on the DSB at the grain boundaries. Depending on grain orientation and stress direction, DSB can be raised or lowered. Also, the experiments revealed that the conductivity within one single specimen can increase and decrease, depending on the current direction. This novel finding indicates the existence of asymmetric Double Schottky Barriers, which was furthermore proved by complementary methods. MLIRT studies showed that the intensity of heat generation within individual current paths is dependent on the direction of the stimulating current. M4PPS was used to study the relationship between the I-V characteristics of single grain boundaries and grain orientation and revealed asymmetric behavior for very specific orientation configurations. A new model for the Double Schottky Barrier, taking into account the natural asymmetry and explaining the experimental results, will be given.

Keywords: Asymmetric Double Schottky Barrier, piezotronic, varistor, zinc oxide

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4405 The Characteristics of Porcine Immune Synapse via Flow Cytometry and Transmission Electron Microscope

Authors: Ann Ying-An Chen, Yi-Lun Tsai, Hso-Chi Chaung

Abstract:

An understanding of pathogens and the immune system has played an utmost important role in agricultural research for the development of vaccinations. The immunological synapse, cell to cell interaction play a crucial role in triggering the body's immune system, such as activation between antigen-presenting cells (APCs) and different subsets of T-cell. If these interactions are regulated appropriately, the host has the ability to defend itself against a wide spectrum of infectious pathogens. The aim of this study is to establish and to characterize a porcine immune synapse system by co-culturing T cell/APC. In this study, blood samples were collected from specific-pathogen-free piglets, and peripheral blood mononuclear cells (PBMC) were separated by using Ficoll-Pague. The PBMC were then stained with CD4 (FITC) and CD25 (PE) antibodies. Different subsets of T cells sorted by fluorescence-activated cell sorting flow cytometer were co-cultured for 24 hrs with alveolar macrophages, and the profiles of cytokine secretion and mRNA transcription levels of Toll-like receptors were examined after. Results showed that the three stages of immune synapse were clearly visible and identified under both transmission and scanning electron microscope (TEM and SEM). The significant interaction differences in toll-like receptor expressions within the co-cultured cell system were observed. The TLR7 mRNA expressions in CD4+CD25- cells were lower than those in CD4+CD25+ and CD4 -CD25+. Interestingly, the IL-10 production levels in CD4+CD25- cells (7.732 pg/mL) were significantly higher than those of CD4+CD25+ (2.636 pg/mL) and CD4 -CD25+ (2.48 pg/mL). These findings demonstrated that a clear understanding of the porcine immune synapse system can contribute greatly for further investigations on the mechanism of T-cell activation, which can benefit in the discovery of potential adjuvant candidate or effective antigen epitopes in the development of vaccinations with high efficacy.

Keywords: antigen-presenting cells, immune synapse, pig, T subsets, toll-like receptor

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4404 Improving Cyclability and Capacity of Lithium Oxygen Batteries via Low Rate Pre-Activation

Authors: Zhihong Luo, Guangbin Zhu, Lulu Guo, Zhujun Lyu, Kun Luo

Abstract:

Cycling life has become the threshold for the prospective application of Li-O₂ batteries, and the protection of Li anode has recently regarded as the key factor to the performance. Herein, a simple low rate pre-activation (20 cycles at 0.5 Ag⁻¹ and a capacity of 200 mAh g⁻¹) was employed to effectively improve the performance and cyclability of Li-O₂ batteries. The charge/discharge cycles at 1 A g⁻¹ with a capacity of 1000 mAh g⁻¹ were maintained for up to 290 times versus 55 times for the cell without pre-activation. The ultimate battery capacity and high rate discharge property were also largely enhanced. Morphology, XRD and XPS analyses reveal that the performance improvement is in close association with the formation of the smooth and compact surface layer formed on the Li anode after low rate pre-activation, which apparently alleviated the corrosion of Li anode and the passivation of cathode during battery cycling, and the corresponding mechanism was also discussed.

Keywords: lithium oxygen battery, pre-activation, cyclability, capacity

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4403 Synthesis and Characterization of Heterogeneous Silver Nanoparticles for Protection of Ancient Egyptian Artifacts from Microbial Deterioration

Authors: Mohamed Abd Elfattah Ibraheem Elghrbawy

Abstract:

Biodeterioration of cultural heritage is a complex process which is caused by the interaction of many physical, chemical and biological agents; the growth of microorganisms can cause staining, cracking, powdering, disfigurement and displacement of monuments material, which leads to the permanent loss of monuments material. Organisms causing biodeterioration on monuments have usually been controlled by chemical products (biocides). In order to overcome the impact of biocides on the environment, human health and monument substrates, alternative tools such as antimicrobial agents from natural products can be used for monuments conservation and protection. The problem is how to formulate antibacterial agents with high efficiency and low toxicity. Various types of biodegradable metal nanoparticles (MNPs) have many applications in plant extract delivery. So, Nano-encapsulation of metal and natural antimicrobial agents using polymers such as chitosan increases their efficacy, specificity and targeting ability. Green synthesis and characterization of metal nanoparticles such as silver with natural products extracted from some plants having antimicrobial properties, using the ecofriendly method one pot synthesis. Encapsulation of the new synthesized mixture using some biopolymers such as chitosan nanoparticles. The dispersions and homogeneity of the antimicrobial heterogeneous metal nanoparticles encapsulated by biopolymers will be characterized and confirmed by Fourier Transform Infrared Spectroscopy (FTIR), Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM) and Zeta seizer. The effect of the antimicrobial biopolymer metal nano-formulations on normal human cell lines will be investigated to evaluate the environmental safety of these formulations. The antimicrobial toxic activity of the biopolymeric antimicrobial metal nanoparticles formulations will be will be investigated to evaluate their efficiency towards different pathogenic bacteria and fungi.

Keywords: antimicrobial, biodeterioration, chitosan, cultural heritage, silver

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4402 Protection and Safeguarding of Groundwater in Algeria between Law and Right to Use

Authors: Aziez Ouahiba, Remini Boualem, Habi Mohamed

Abstract:

The growth and the development of a pay are strongly related to the existence or the absence of water in this area, the sedentary lifestyle of the population makes that water demand is increasing and the different brandishing (dams, tablecloths or other) are increasingly solicited. In normal time rain and snow of the winter period reloads the slicks and the wadis that fill dams. Over these two decades, Global warming fact that temperature is increasingly high and rainfall is increasingly low, which induces a charge less and less important tablecloths, add to that the strong demand in irrigation. Our study will focus on the variation of rainfall and irrigation, Their effects on the degree of pollution of the groundwater in this area based on statistical analyses by the Xlstat (ACP, correlation...) software for a better explanation of these results and determine the hydrochemistry of different groups or polluted areas pou be able to offer adequate solutions for each area.

Keywords: water in the basement, legislation, over exploitation, pollution, water prices

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4401 Formative Assessment of Creative Thinking Skills Embedded in Learning Through Play

Authors: Yigal Rosen, Garrett Jaeger, Michelle Newstadt, Ilia Rushkin, Sara Bakken

Abstract:

All children are capable of advancing their creative thinking skills and engaging in creative play. Creative play puts children in charge of exploring ideas, relationships, spaces and problems. Supported by The LEGO Foundation, the creative thinking formative assessment is designed to provide valid, reliable and informative measurement to support the development of creative skills while children are engaged in Learning through Play. In this paper we provide an overview of the assessment framework underpinned the assessment of creative thinking and report the results from the 2022 pilot study demonstrating promising evidence on the ability to measure creative skills in a conceptually and ecologically valid way to inform the development of creative skills.

Keywords: creativity, creative thinking, assessment, learning through play, creative play, learning progressions

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4400 Experimental Investigation on Cold-Formed Steel Foamed Concrete Composite Wall under Compression

Authors: Zhifeng Xu, Zhongfan Chen

Abstract:

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

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

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4399 Tandem Concentrated Photovoltaic-Thermoelectric Hybrid System: Feasibility Analysis and Performance Enhancement Through Material Assessment Methodology

Authors: Shuwen Hu, Yuancheng Lou, Dongxu Ji

Abstract:

Photovoltaic (PV) power generation, as one of the most commercialized methods to utilize solar power, can only convert a limited range of solar spectrum into electricity, whereas the majority of the solar energy is dissipated as heat. To address this problem, thermoelectric (TE) module is often integrated with the concentrated PV module for waste heat recovery and regeneration. In this research, a feasibility analysis is conducted for the tandem concentrated photovoltaic-thermoelectric (CPV-TE) hybrid system considering various operational parameters as well as TE material properties. Furthermore, the power output density of the CPV-TE hybrid system is maximized by selecting the optimal TE material with application of a systematic assessment methodology. In the feasibility analysis, CPV-TE is found to be more advantageous than sole CPV system except under high optical concentration ratio with low cold side convective coefficient. It is also shown that the effects of the TE material properties, including Seebeck coefficient, thermal conductivity, and electrical resistivity, on the feasibility of CPV-TE are interacted with each other and might have opposite effect on the system performance under different operational conditions. In addition, the optimal TE material selected by the proposed assessment methodology can improve the system power output density by 227 W/m2 under highly concentrated solar irradiance hence broaden the feasible range of CPV-TE considering optical concentration ratio.

Keywords: feasibility analysis, material assessment methodology, photovoltaic waste heat recovery, tandem photovoltaic-thermoelectric

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4398 Coarse-Grained Computational Fluid Dynamics-Discrete Element Method Modelling of the Multiphase Flow in Hydrocyclones

Authors: Li Ji, Kaiwei Chu, Shibo Kuang, Aibing Yu

Abstract:

Hydrocyclones are widely used to classify particles by size in industries such as mineral processing and chemical processing. The particles to be handled usually have a broad range of size distributions and sometimes density distributions, which has to be properly considered, causing challenges in the modelling of hydrocyclone. The combined approach of Computational Fluid Dynamics (CFD) and Discrete Element Method (DEM) offers convenience to model particle size/density distribution. However, its direct application to hydrocyclones is computationally prohibitive because there are billions of particles involved. In this work, a CFD-DEM model with the concept of the coarse-grained (CG) model is developed to model the solid-fluid flow in a hydrocyclone. The DEM is used to model the motion of discrete particles by applying Newton’s laws of motion. Here, a particle assembly containing a certain number of particles with same properties is treated as one CG particle. The CFD is used to model the liquid flow by numerically solving the local-averaged Navier-Stokes equations facilitated with the Volume of Fluid (VOF) model to capture air-core. The results are analyzed in terms of fluid and solid flow structures, and particle-fluid, particle-particle and particle-wall interaction forces. Furthermore, the calculated separation performance is compared with the measurements. The results obtained from the present study indicate that this approach can offer an alternative way to examine the flow and performance of hydrocyclones

Keywords: computational fluid dynamics, discrete element method, hydrocyclone, multiphase flow

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4397 Antihyperglycaemic and Antihyperlipidemic Activities of Pleiogynium timorense Seeds and Identification of Bioactive Compounds

Authors: Ataa A. Said, Elsayed A. Abuotabl, Gehan F. Abdel Raoof, Khaled Y. Mohamed

Abstract:

The aim of this study is to evaluate antihyperglycaemic and antihyperlipidemic activities of Pleiogynium timorense (DC.) Leenh (Anacardiaceae) seeds as well as to isolate and identify the bioactive compounds. Antihyperglycaemic effect was evaluated by measuring the effect of two dose levels (150 and 300 mg/kg) of 70% methanol extract of Pleiogynium timorense seeds on blood glucose level when administered 45 minutes before glucose loading. In addition, the effect of the plant extract on the lipid profile was determined by measuring serum total lipids (TL), total cholesterol (TC), triglycerides (TG), high density lipoprotein cholesterol (HDL-C) and low density lipoprotein cholesterol (LDL-C). Furthermore, the bioactive compounds were isolated and identified by chromatographic and spectrometric methods.The results showed that the methanolic extract of the seeds significantly reduced the levels of blood glucose,(TL), (TC), (TG) and (LDL-C) but no significant effect on (HDL-C) comparing with control group. Furthermore, four phenolic compound were isolated which were identified as; catechin, gallic acid, para methoxy benzaldehyde and pyrogallol which were isolated for the first time from the plant. In addition sulphur -containing compound (sulpholane) was isolated for the first time from the plant and from the family. To our knowledge, this is the first study about antihyperglycaemicand antihyperlipidemic activities of the seeds of Pleiogyniumtimorense and its bioactive compounds. So, the methanolic extract of the seeds of Pleiogynium timorense could be a step towards the development of new antihyperglycaemic and antihyperlipidemic drugs.

Keywords: antihyperglycaemic, bioactive compounds, phenolic, Pleiogynium timorense, seeds

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4396 Comparative Analysis of Short and Long Term Salt Stress on the Photosynthetic Apparatus and Chloroplast Ultrastructure of Thellungiella salsuginea

Authors: Rahma Goussi, Walid Derbali, Arafet Manaa, Simone Cantamessa, Graziella Berta, Chedly Abdelly, Roberto Barbato

Abstract:

Salinity is one of the most important abiotic affecting plant growth and productivity worldwide. Photosynthesis, together with cell growth, is among the primary processes to be affected by salinity. Here, we report the effects of salinity stress on the primary processes of photosynthesis in a model halophyte Thellungiella Salsuginea. Plants were cultivated in hydroponic system with different NaCl concentrations (0, 100, 200 and 400 mM) during 2 weeks. The obtained results showed an obvious change in the photosynthetic efficiency of photosystem I (PSI) and phostosytem II (PSII), related to NaCl concentration supplemented to the medium and the stress duration considered. With moderate salinity (100 and 200 mM NaCl), no significant variation was observed in photosynthetic parameters of PSI and PSII and Chl fluorescence whatever the time of stress application. Also, the photosynthesis apparatus Fo, Fm and Fv fluorescence, as well as Fv/Fm were not affected by salt stress. While a significant decrease was observed on quantum yields Y(I), Y(II) and electron transport rate ETR(I), ETR(II) under high salt treatment (400 mM NaCl) with prolonged period (15 days). This reduction is quantitatively compensated by a corresponding increase of energy dissipation Y(NPQ) and a progressive decrease in Fv/Fm under salt treatment. The intensity of the OJIP fluorescence transient decreased with increase in NaCl concentration, with a major effect observed during prolonged period of salt stress. Ultrastructural analysis with Light Microscopy and Transmission Electron Microscopy of T. salsuginea chloroplasts showed some cellular changes, such as the shape of the mesophyll cells and number of chloroplast/cell only under higher NaCl concentration. Salt-stress caused the swelling of thylakoids in T. Salsuginea mesophyll with more accumulation of starch as compared to control plant.

Keywords: fluorescence, halophyte, photosynthesis, salt stress

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4395 Morphology Study of Inverted Planar Heterojunction Perovskite Solar Cells in Sequential Deposition

Authors: Asmat Nawaz, Ali Koray Erdinc, Burak Gultekin, Muhammad Tayyib, Ceylan Zafer, Kaiying Wang, M. Nadeem Akram

Abstract:

In this study, a sequential deposition process is used for the fabrication of PEDOT: PSS based inverted planar perovskite solar cell. A small amount of additive deionized water (DI-H2O) was added into PbI2 + Dimethyl formamide (DMF) precursor solution in order to increase the solubility of PbI2 in DMF, and finally to manipulate the surface morphology of the perovskite films. A morphology transition from needle like structure to hexagonal plates, and then needle-like again has been observed as the DI-H2O was added continuously (0.0 wt% to 3.0wt%). The latter one leads to full surface coverage of the perovskite, which is essential for high performance solar cell.

Keywords: charge carrier diffusion lengths, Methylamonium lead iodide, precursor composition, perovskite solar cell, sequential deposition

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4394 Preparation of Corn Flour Based Extruded Product and Evaluate Its Physical Characteristics

Authors: C. S. Saini

Abstract:

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

Keywords: black gram, corn flour, extrusion, physical characteristics

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4393 Dimensionality Control of Li Transport by MOFs Based Quasi-Solid to Solid Electrolyte

Authors: Manuel Salado, Mikel Rincón, Arkaitz Fidalgo, Roberto Fernandez, Senentxu Lanceros-Méndez

Abstract:

Lithium-ion batteries (LIBs) are a promising technology for energy storage, but they suffer from safety concerns due to the use of flammable organic solvents in their liquid electrolytes. Solid-state electrolytes (SSEs) offer a potential solution to this problem, but they have their own limitations, such as poor ionic conductivity and high interfacial resistance. The aim of this research was to develop a new type of SSE based on metal-organic frameworks (MOFs) and ionic liquids (ILs). MOFs are porous materials with high surface area and tunable electronic properties, making them ideal for use in SSEs. ILs are liquid electrolytes that are non-flammable and have high ionic conductivity. A series of MOFs were synthesized, and their electrochemical properties were evaluated. The MOFs were then infiltrated with ILs to form a quasi-solid gel and solid xerogel SSEs. The ionic conductivity, interfacial resistance, and electrochemical performance of the SSEs were characterized. The results showed that the MOF-IL SSEs had significantly higher ionic conductivity and lower interfacial resistance than conventional SSEs. The SSEs also exhibited excellent electrochemical performance, with high discharge capacity and long cycle life. The development of MOF-IL SSEs represents a significant advance in the field of solid-state electrolytes. The high ionic conductivity and low interfacial resistance of the SSEs make them promising candidates for use in next-generation LIBs. The data for this research was collected using a variety of methods, including X-ray diffraction, scanning electron microscopy, and electrochemical impedance spectroscopy. The data was analyzed using a variety of statistical and computational methods, including principal component analysis, density functional theory, and molecular dynamics simulations. The main question addressed by this research was whether MOF-IL SSEs could be developed that have high ionic conductivity, low interfacial resistance, and excellent electrochemical performance. The results of this research demonstrate that MOF-IL SSEs are a promising new type of solid-state electrolyte for use in LIBs. The SSEs have high ionic conductivity, low interfacial resistance, and excellent electrochemical performance. These properties make them promising candidates for use in next-generation LIBs that are safer and have higher energy densities.

Keywords: energy storage, solid-electrolyte, ionic liquid, metal-organic-framework, electrochemistry, organic inorganic plastic crystal

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4392 Magnetic, Magnetocaloric, and Electrical Properties of Pr0.7Ca0.3Mn0.9M0.1O3

Authors: A. Selmi, A. Bettaibi, H. Rahmouni, R. M’nassri, N. Chniba Boudjada, A. Chiekhrouhou, K. Khirouni

Abstract:

Investigation of magnetic and magnetocaloric properties of Pr₀.₇Ca₀.₃Mn₀.₉M₀.₁O₃ perovskite manganites (M=Cr and Ni) has been carried out. Our compounds were prepared by the conventional solid-state reaction method at high temperatures. Rietveld refinement of X-ray diffraction pattern using FULLPROF method shows that all compounds adopt the orthorhombic structure with Pnma space group. The partial substitution of Mn-site drives the system from charge order state to ferromagnetic one with a Curie temperature T𝒸=150K, 118k and 116K for M=Cr and Ni, respectively. Magnetization measurements versus temperature in a magnetic applied field of 0.05T show that all our samples exhibit a paramagnetic–ferromagnetic transition with decreasing temperature. From M(H) isotherms, we have deduced the magnetic entropy change, which present maximum values of 2.37 J/kg.K and 2.94 J/kg.K, in a magnetic field change of 5T for M=Cr and Ni, respectively.

Keywords: manganites, magnetocaloric, magnetic, refrigeration

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4391 Application of Functionalized Magnetic Particles as Demulsifier for Oil‐in‐Water Emulsions

Authors: Hamideh Hamedi, Nima Rezaei, Sohrab Zendehboudi

Abstract:

Separating emulsified oil contaminations from waste- or produced water is of interest to various industries. Magnetic particles (MPs) application for separating dispersed and emulsified oil from wastewater is becoming more popular. Stabilization of MPs is required through developing a coating layer on their surfaces to prevent their agglomeration and enhance their dispersibility. In this research, we study the effects of coating material, size, and concentration of iron oxide MPs on oil separation efficiency, using oil adsorption capacity measurements. We functionalize both micro-and nanoparticles of Fe3O4 using sodium dodecyl sulfate (SDS) as an anionic surfactant, cetyltrimethylammonium bromide (CTAB) as a cationic surfactant, and stearic acid (SA). The chemical structures and morphologies of these particles are characterized using Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), and Energy Dispersive X-ray (EDX). The oil-water separation results indicate that a low dosage of the coated magnetic nanoparticle with CTAB (0.5 g/L MNP-CTAB) results the highest oil adsorption capacity (nearly 100%) for 1000 ppm dodecane-in-water emulsion, containing ultra-small droplets (250–300 nm). While separation efficiency of the same dosage of bare MNPs is around 57.5%. Demulsification results of magnetic microparticles (MMPs) also reveal that the functionalizing particles with CTAB increase oil removal efficiency from 86.3% for bare MMP to 92% for MMP-CTAB. Comparing the results of different coating materials implies that the major interaction reaction is an electrostatic attraction between negatively charged oil droplets and positively charged MNP-CTAB and MMP-CTAB. Furthermore, the synthesized nanoparticles could be recycled and reused; after ten cycles the oil adsorption capacity slightly decreases to near 95%. In conclusion, functionalized magnetic particles with high oil separation efficiency could be used effectively in treatment of oily wastewater. Finally, optimization of the adsorption process is required by considering the effective system variables, and fluid properties.

Keywords: oily wastewater treatment, emulsions, oil-water separation, adsorption, magnetic nanoparticles

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4390 Assessment of Marine Diversity on Rocky Shores of Triporti, Vlore, Albania

Authors: Ina Nasto, Denada Sota, Kerol Sacaj, Brunilda Veshaj, Hajdar Kicaj

Abstract:

Rocky shores are often used as models to describe the dynamics of biodiversity around the world, making them one of the most studied marine habitats and their communities. The variability in the number of species and the abundance of hard-bottom benthic animal communities on the coast of Triporti, north of the Bay of Vlora, Albania is described in relation to environmental variables using multivariate analysis. The purpose of this study is to monitor the species composition, quantitative characteristics, and seasonal variations of the benthic macroinvertebrate populations of the shallow rocky shores of the Triportit-Vlora area, as well as the assessment of the ecological condition of these populations. The rocky coast of Triport, with a length of 7 km, was divided into three sampling stations, with three transects each of 50m. The monitoring of benthic macroinvertebrates in these areas was carried out in two seasons, spring and summer (June and August 2021). In each station and sampling season, estimates of the total and average density for each species, the presence constant, and the assessment of biodiversity were calculated using the Shannon–Wiener and the Simpson index. The species composition, the quantitative characteristics of the populations, and the indicators mentioned above were analyzed in a comparative way, both between the seasons within one station and between the three stations with each other. Statistical processing of the data was carried out to analyze the changes between the seasons and between the sampling stations for the species composition, population density, as well as correlation between them. A total of 105 benthic macroinvertebrate taxa were found, dominated by Molluscs, Annelids, and Arthropods. The small density of species and the low degree of stability of the macrozoobenthic community are indicators of the poor ecological condition and environmental impact in the studied areas. Algal cover, the diversity of coastal microhabitats, and the degree of coastal exposure to waves play an important role in the characteristics of macrozoobenthos populations in the studied areas. Also, the rocky shores are of special interest because, in the infralittoral of these areas, there are dense kelp forests with Gongolaria barbata, Ericaria crinita as well as fragmented areas with Posidonia oceanica that reach the coast, priority habitats of special conservation importance in the Mediterranean.

Keywords: Macrozoobenthic communities, Shannon–Wiener, Triporti, Vlore, rocky shore

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4389 Ultrasonic Investigation as Tool for Study of Molecular Interaction of 2-Hydroxy Substituted Pyrimidine Derivative at Different Concentrations

Authors: Shradha S. Binani, P. S. Bodke, R. V. Joat

Abstract:

Recent decades have witnessed an exponential growth in the field of acoustical parameters and ultrasound on solid, liquid and gases. Ultrasonic propagation parameters yield valuable information regarding the behavior of liquid systems because intra and intermolecular association, dipolar interaction, complex formation and related structural changes affecting the compressibility of the system which in turn produces variations in the ultrasonic velocity. The acoustic and thermo dynamical parameters obtained in ultrasonic study show that ion-solvation is accompanied by the destruction or enhancement of the solvent structure. In the present paper the ultrasonic velocity (v), density (ρ), viscosity(η) have been measured for the pharmacological important compound 2-hydroxy substituted phenyl pyrimidine derivative (2-hydroxy-4-(4’-methoxy phenyl)-6-(2’-hydroxy-4’-methyl-5’-chlorophenyl)pyrimidine) in ethanol as a solvent by using different concentration at constant room temperature. These experimental data have been used to estimate physical parameter like adiabatic compressibility, intermolecular free length, relaxation time, free volume, specific acoustic impedance, relative association, Wada’s constant, Rao’s constant etc. The above parameters provide information in understanding the structural and molecular interaction between solute-solvent in the drug solution with respect to change in concentration.

Keywords: acoustical parameters, ultrasonic velocity, density, viscosity, 2-hydroxy substituted phenyl pyrimidine derivative

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4388 Hepatoprotective Effects of Parsley, Basil, and Chicory Aqueous Extracts against Dexamethasone-Induced in Experimental Rats

Authors: Hanan A. Soliman, Mohamed A. El-Desouky, Walaa G. Hozayen, Rasha R. Ahmed, Amal K . Khaliefa

Abstract:

Aim: The objective of this study is to investigate the hypoglycemic, hypolipidemic, and hepatoprotective effects of the aqueous extract of parsley, basil, and chicory whole plant in normal and dexamethasone (Dex) rats. Materials and Methods: 50 female albino rats were used in this study and divided into 5 groups (for each 10). Group (1) fed basal diet and maintained as negative control group. Group (2) received Dex in a dose of (0.1 mg/kg b. wt.). Groups 3, 4, and 5 were treated with Dex along with three different plant extracts of parsley, basil, and chicory (2 g/kg b. wt.), (400 mg/kg b. wt.), and (100 mg/kg b. wt.), respectively. Results: All these groups were treated given three times per week for 8 consecutive weeks. Dex-induced alterations in the levels of serum glucose, triglyceride, cholesterol, low-density lipoprotein-cholesterol levels and cardiovascular indices and serum alanine aminotransferase, aspartate aminotransferase and lactate dehydrogenase activities, liver thiobarbituric acid (TBARS) levels increased, while high-density lipoprotein-cholesterol, total protein, albumin, and liver glutathione (GSH) levels decreased. On the other hand, plant extracts succeeded to modulate these observed abnormalities resulting from Dex as indicated by the reduction of glucose, cholesterol, TBARS, and the pronounced improvement of the investigated biochemical and antioxidant parameters. Conclusions: It was concluded that probably, due to its antioxidant property, parsley, basil, and chicory extracts have hepatoprotective effects in Dex-induced in rats.

Keywords: antioxidants, dexamethasone, hyperglycemia, hyperlipidemia

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4387 Dietary Factors Contributing to Osteoporosis among Postmenopausal Women in Riyadh Armed Forces Hospital

Authors: Rabab Makki

Abstract:

Bone mineral density and bone metabolism are affected by various factors such as genetic, endocrine, mechanical and nutritional. Our understanding of nutritional influences on bone health is limited because most studies have focused on calcium. This study investigated the dietary factors which are likely t contribute to Osteoporosis in Saudi post-menopausal women, and correlated it with BMD. This is a case controlled study involved 36 postmenopausal Saudi females selected from the Orthopedics and osteoporosis outpatient clinics, and 25 postmenopausal Saudi females as controls from the primary clinic of Military Hospital in Riyadh. The women were diagnosed as osteoporotic based on the BMD measurement at any site (left femur neck, right femur neck, left total hip or right total hip or spine). Both the controls and the Osteoporotics were over 50 years of age and BMI between 31-34 kg/m2 had 2nd degree obesity, and were not free from other problems such as diabetes, hypertension, etc. Subjects (osteoporotics and controls) were interviewed to called data on demographic characterstics, medical history, dietary intake anthropometry (height and weight) bone mineral density. Blood samples were collected from subjects (Osteoporotics and controls). Analysis of serum calcium, vitamin D, phosphate were done at the main laboratory at Military Hospital Riyadh, by the laboratory technician while BMD was determined at the department of Nuclear Medicine by an expert technician and results were interpreted by radiologist.Data on frequency of consumption of animal food (meat, eggs, poultry and fish) and diary foods (milk, yogurt, cheese) of osteoporotic was less than control. In spite of the low intake there was no association with BMD.In general, the vegetables and fruits were consumed less by the osteoporotics than control. The only fruit which had shown a significant positive correlation is banana with right and left hip BMD total probably due to high potassium and minerals content which likely to prevent bone resorption. Mataziz vegetables combination of wheat showed a significant positive correlation with the same site (total right and left hip). Both osteoporotics abd controls were consuming table sugar. (But the sweet intake showed a significant negative correlation with left neck femur BMD, suggesting sucrose increase urinary calcium loss. Both osteoporotic and controls were consuming Arabic coffee. A negative significant correlation between intake of Arabic coffee and BMD of right neck femur of osteoporosis patient was observed. It could be suggested that increased intake of fruits and vegetables, might promote bone density while high intake of coffee and sugars might affect bone density, no significant correlation was observed between BMD at any site and diary product. We can say the major risk factors are inadequate nutrition. Further studies are needed among Saudi population to confirm these results.

Keywords: osteoporosi, Saudia Arabia, Riyadh Armed Forces, postmenopausal women

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4386 Ab Initio Calculations of Structure and Elastic Properties of BexZn1−xO Alloys

Authors: S. Lakel, F. Elhamra, M. Ibrir, K. Almi

Abstract:

There is a growing interest in Zn1-xBexO (ZBO)/ZnO hetero structures and quantum wells since the band gap energy of Zn1-xBexO solid solutions can be turned over a very large range (3.37–10.6 eV) as a function of the Be composition. ZBO/ZnO has been utilized in ultraviolet light emission diodes and lasers, and may find applications as active elements of various other electronic and optoelectronic devices. Band gap engineering by Be substitution enables the facile preparation of barrier layers and quantum wells in device structures. In addition, ZnO and its ternary alloys, as piezoelectric semiconductors, have been used for high-frequency surface acoustic wave devices in wireless communication systems due to their high acoustic velocities and large electromechanical coupling. However, many important parameters such as elastic constants, bulk modulus, Young’s modulus and band-gap bowing. First-principles calculations of the structural, electrical and elastic properties of Zn1-xBexO as a function of the Be concentration x have been performed within density functional theory using norm-conserving pseudopotentials and local density approximation (LDA) for the exchange and correlation energy. The alloys’ lattice constants may deviate from the Vegard law. As Be concentration increases, the elastic constants, the bulk modulus and Young’s modulus of the alloys increase, the band gap increases with increasing Be concentration and Zn1-xBexO alloys have direct band. Our calculated results are in good agreement with experimental data and other theoretical calculations.

Keywords: DFT calculation, norm-conserving pseudopotentials, ZnBeO alloys, ZnO

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4385 First-Principles Calculations of Hydrogen Adsorbed in Multi-Layer Graphene

Authors: Mohammad Shafiul Alam, Mineo Saito

Abstract:

Graphene-based materials have attracted much attention because they are candidates for post silicon materials. Since controlling of impurities is necessary to achieve nano device, we study hydrogen impurity in multi-layer graphene. We perform local spin Density approximation (LSDA) in which the plane wave basis set and pseudopotential are used. Previously hydrogen monomer and dimer in graphene is well theoretically studied. However, hydrogen on multilayer graphene is still not clear. By using first-principles electronic structure calculations based on the LSDA within the density functional theory method, we studied hydrogen monomers and dimers in two-layer graphene. We found that the monomers are spin-polarized and have magnetic moment 1 µB. We also found that most stable dimer is much more stable than monomer. In the most stable structures of the dimers in two-layer graphene, the two hydrogen atoms are bonded to the host carbon atoms which are nearest-neighbors. In this case two hydrogen atoms are located on the opposite sides. Whereas, when the two hydrogen atoms are bonded to the same sublattice of the host materials, magnetic moments of 2 µB appear in two-layer graphene. We found that when the two hydrogen atoms are bonded to third-nearest-neighbor carbon atoms, the electronic structure is nonmagnetic. We also studied hydrogen monomers and dimers in three-layer graphene. The result is same as that of two-layer graphene. These results are very important in the field of carbon nanomaterials as it is experimentally difficult to show the magnetic state of those materials.

Keywords: first-principles calculations, LSDA, multi-layer gra-phene, nanomaterials

Procedia PDF Downloads 331