Search results for: Ab initio calculations

Authors: Piyush Sharma, Laltu Chandra, P. S. Ghoshdastidar, Rajiv Shekhar

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Metals processing operations such as melting and heat treatment of metals are energy-intensive, requiring temperatures greater than 500oC. The desired temperature in these industrial furnaces is attained by circulating electrically-heated air. In most of these furnaces, electricity produced from captive coal-based thermal power plants is used. Solar thermal energy could be a viable heat source in these furnaces. A retrofitted solar convective furnace (SCF) concept, which uses solar thermal generated hot air, has been proposed. Critical to the success of a SCF is the design of an open volumetric air receiver (OVAR), which can heat air in excess of 800oC. The OVAR is placed on top of a tower and receives concentrated solar radiation from a heliostat field. Absorbers, mixer assembly, and the return air flow chamber (RAFC) are the major components of an OVAR. The absorber is a porous structure that transfers heat from concentrated solar radiation to ambient air, referred to as primary air. The mixer ensures uniform air temperature at the receiver exit. Flow of the relatively cooler return air in the RAFC ensures that the absorbers do not fail by overheating. In an earlier publication, the detailed design basis, fabrication, and characterization of a 2 kWth open volumetric air receiver (OVAR) based laboratory solar air tower simulator was presented. Development of an experimentally-validated, CFD based mathematical model which can ultimately be used for the design and scale-up of an OVAR has been the major objective of this investigation. In contrast to the published literature, where flow and heat transfer have been modeled primarily in a single absorber module, the present study has modeled the entire receiver assembly, including the RAFC. Flow and heat transfer calculations have been carried out in ANSYS using the LTNE model. The complex return air flow pattern in the RAFC requires complicated meshes and is computational and time intensive. Hence a simple, realistic 1-D mathematical model, which circumvents the need for carrying out detailed flow and heat transfer calculations, has also been proposed. Several important results have emerged from this investigation. Circumferential electrical heating of absorbers can mimic frontal heating by concentrated solar radiation reasonably well in testing and characterizing the performance of an OVAR. Circumferential heating, therefore, obviates the need for expensive high solar concentration simulators. Predictions suggest that the ratio of power on aperture (POA) and mass flow rate of air (MFR) is a normalizing parameter for characterizing the thermal performance of an OVAR. Increasing POA/MFR increases the maximum temperature of air, but decreases the thermal efficiency of an OVAR. Predictions of the 1-D mathematical are within 5% of ANSYS predictions and computation time is reduced from ~ 5 hours to a few seconds.

Keywords: absorbers, mixer assembly, open volumetric air receiver, return air flow chamber, solar thermal energy

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Authors: E. Dahlen

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Inflation can be calculated from either the prices of consumer products or from salaries. This paper presents a logical exercise that shows it is easier to calculate inflation from salaries than from consumer products. While the prices of consumer products may change due to technological advancement, such as automation, which must be corrected for, salaries do not. If technological advancements are not accounted for within calculations based on consumer product prices, inflation can be confused with real wage changes, since both inflation and real wage changes affect the prices of consumer products. The method employed in this paper is a logical exercise. Logical arguments are presented that suggest the existence of many different feasible ways by which inflation can be determined. Then a short mathematical exercise will be presented which shows that one of these methods –using salaries – contains the fewest number of unknown parameters, and hence, is the preferred method, since the risk of mistakes is lower. From the results, it can be concluded that salaries, rather than consumer products, should be used to calculate inflation.

Keywords: inflation, logic, math, real wages

Procedia PDF Downloads 298

Authors: Oluwagbenga O. Isaac Orimoogunje, Omolola Helen Oshosanya

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The study examined land management in a typical watershed in southwestern Nigeria with a view to ascertaining its impact on land suitability analysis for rice cultivation and production. The study applied the analytical hierarchy process (AHP), weighted overlay analysis (WOA), multi-criteria decision-making techniques, and suitability map calculations within a Geographic Information System environment. Five main criteria were used, and these include climate, topography, soil fertility, macronutrients, and micronutrients. A consistency ratio (CR) of 0.067 was obtained for rice cultivation. The results showed that 95% of the land area is suitable for rice cultivation, with pH units ranging between 4.6 and 6.0, organic matter of 1.4–2.5 g kg-1 and base saturation of more than 80%. The study concluded that the Ofiki watershed is a potential site for large-scale rice cultivation in a sustainable capacity.

Keywords: land management, land characteristics, land suitability, rice production, watershed

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Authors: Ilhem Ouelhazi, Mouna Elakhdar, Lakdar Kairouani

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A computer simulation model for a combined ejector-vapor compression cycle that uses working fluid R134a. A refrigeration system was developed which combines a basic vapor compression refrigeration cycle with an ejector cooling cycle. A one-dimensional mathematical model was developed using the equations governing the flow and thermodynamics based on the constant area ejector flow model. The effects of the operating parameters on the cooling capacity, the performance coefficient, and the entrainment ratio are studied. The current model is based on the NIST-REFPROP database for refrigerants properties calculations. The simulated performance is compared with the available experimental data from the literature for validation.

Keywords: combined refrigeration cycle, constant area ejector, R134a, ejector-cooling cycle, performance, mathematical simulation, vapor compression cycle

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Authors: Mohamed Fredj, Abdallah Hafsaoui, Radouane Nakache

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The study of the stability of the mining works in rock masses fractured is the major concern of the operating engineer. For geotechnical works in mines and quarries, it there is not today's general methodology for analysis and the quantification of the risks relating to the dangers inherent in these concrete types (falling boulders, landslides, etc.). The reasons for this are uncertainty, which weighs on available data or lack of knowledge of the values of the parameters required for this analysis type. Stability calculations must be based on reliable knowledge of the distribution of discontinuities that dissect the Rocky massif and the resistance to shear of the intact rock and discontinuities. This study is aimed to study the stability of slope of mine (Kef Sennoun - Tebessa, Algeria). The problem is analyzed using a numerical model based on the finite elements (software Plaxis 3D).

Keywords: stability, discontinuities, finite elements, rock mass, open-pit mine

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

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

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

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Authors: Sihame Amakrane, Zineb Ouahdi, Mohammed Salah, Said Belaaouad

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\This research explores the efficacy of novel pyrimidine derivatives on bacterial strains such as Escherichia coli, Staphylococcus aureus, and Myccobacterium tuberculosis, utilizing bending energy calculations. Of the 25 compounds examined, 13 displayed potent activity against all the bacterial strains under study, exhibiting bending energy measurements between -7.4 and -10.7 kcal/mol. The -7.4 kcal/mol value corresponds to the bending energy of the SA12 and SA13 compounds with the 2xct protein (Staphylococcus aureus), whereas the -10.7 kcal/molis linked with the bending energy of SA6 and SA11 compounds with the 6GAV protein (Myccobacterium tuberculosis). Further research will involve a QSAR (Quantitative Structure-Activity Relationship) study aimed at constructing a reliable model to combat the aforementioned bacterial strains and a molecular dynamics study to evaluate the stability of ligand-protein complexes.

Keywords: docking, QSAR, bending energy, e. coli

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Authors: Fatemeh Safdari, Amirnaser Shamkhali, Gholamabbas Parsafar

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

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

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Authors: Sudip Sudhir Godbole

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In transmission line surface potential gradient is a critical design parameter for planning overhead line, as it determines the level of corona loss (CL), radio interference (RI) and audible noise (AN).With increase of transmission line voltage level bulk power transfer is possible, using bundle conductor configuration used, it is more complex to find accurate surface stress in bundle configuration. The majority of existing models for surface gradient calculations are based on analytical methods which restrict their application in simulating complex surface geometry. This paper proposes a novel technique which utilizes both analytical and numerical procedure to predict the surface gradient. One of 400 kV transmission line configurations has been selected as an example to compare the results for different methods. The different strand shapes are a key variable in determining.

Keywords: surface gradient, Maxwell potential coefficient method, market and Mengele’s method, successive images method, charge simulation method, finite element method

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Authors: Weirong Wang, Shenghong Huang, Xisheng Luo, Zhenyu Li

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Material mixing process and related dynamic issues at extreme compressing conditions have gained more and more concerns in last ten years because of the engineering appealings in inertial confinement fusion (ICF) and hypervelocity aircraft developments. However, there lacks models and methods that can handle fully coupled turbulent material mixing and complex fluid evolution under conditions of high energy density regime up to now. In aspects of macro hydrodynamics, three numerical methods such as direct numerical simulation (DNS), large eddy simulation (LES) and Reynolds-averaged Navier–Stokes equations (RANS) has obtained relative acceptable consensus under the conditions of low energy density regime. However, under the conditions of high energy density regime, they can not be applied directly due to occurrence of dissociation, ionization, dramatic change of equation of state, thermodynamic properties etc., which may make the governing equations invalid in some coupled situations. However, in view of micro/meso scale regime, the methods based on Molecular Dynamics (MD) as well as Monte Carlo (MC) model are proved to be promising and effective ways to investigate such issues. In this study, both classical MD and first-principle based electron force field MD (eFF-MD) methods are applied to investigate Richtmyer-Meshkov Instability of metal Lithium and gas Hydrogen (Li-H2) interface mixing at different shock loading speed ranging from 3 km/s to 30 km/s. It is found that: 1) Classical MD method based on predefined potential functions has some limits in application to extreme conditions, since it cannot simulate the ionization process and its potential functions are not suitable to all conditions, while the eFF-MD method can correctly simulate the ionization process due to its ‘ab initio’ feature; 2) Due to computational cost, the eFF-MD results are also influenced by simulation domain dimensions, boundary conditions and relaxation time choices, etc., in computations. Series of tests have been conducted to determine the optimized parameters. 3) Ionization induced by strong shock compression has important effects on Li-H2 interface evolutions of RMI, indicating a new micromechanism of RMI under conditions of high energy density regime.

Keywords: first-principle, ionization, molecular dynamics, material mixture, Richtmyer-Meshkov instability

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Authors: N. Aliyu, G. Atkinson, N. Stannard

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Compacted insulated iron powder is a key material in high volume electric motors manufacturing. It offers high production rates, dimensionally stable components, and low scrap volumes. It is the aim of this paper to develop a three-phase compact single sided concentrated winding axial flux PM motor with soft magnetic composite (SMC) core for reducing core losses and cost. To succeed the motor would need to be designed in such a way as to exploit the isotropic magnetic properties of the material and open slot constructions with surface mounted PM for higher speed up to 6000 rpm, without excessive rotor losses. Higher fill factor up to 70% was achieved by compacting the coils, which offered a significant improvement in performance. A finite-element analysis was performed for accurate parameters calculation and the simulation results are thoroughly presented and agree with the theoretical calculations very well.

Keywords: SMC core, axial gap motor, high efficiency, torque

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Authors: Drissi Mokhtaria, Chouaih Abdelkader, Fodil Hamzaoui

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Our work is about a comparison of experimental and theoretical results of the electron charge density distribution and the electrostatic potential around the M-Nitrophenol Molecule (m-NPH) kwon for its interesting physical characteristics. The molecular experimental results have been obtained from a high-resolution X-ray diffraction study. Theoretical investigations were performed under the Gaussian program using the Density Functional Theory at B3LYP level of theory at 6-31G*. The multipolar model of Hansen and Coppens was used for the experimental electron charge density distribution around the molecule, while we used the DFT methods for the theoretical calculations. The electron charge density obtained in both methods allowed us to find out the different molecular properties such us the electrostatic potential and the dipole moment which were finally subject to a comparison leading to an outcome of a good matching results obtained in both methods.

Keywords: electron charge density, m-nitrophenol, nonlinear optical compound, electrostatic potential, optimized geometric

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Authors: Bayram Sahin, Hourieh Bayramian, Emre Mandev, Murat Ceylan

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In industrial applications, the demand for the enhancement of heat transfer is a common engineering problem. The use of additives to heat transfer fluid is a technique applied to enhance the heat transfer performance of base fluids. In this study, the thermal performance of nanofluids consisting of SiO2 particles and deionized water in circular microchannels was investigated experimentally. SiO2 nanoparticles with diameter of 15 nm were added to water to prepare nanofluids with 0.2% and 0.4% volume fractions. Heat transfer characteristics were calculated by using temperature, flow and pressure measurements. The thermal conductivity and viscosity values required for the calculations are measured separately. It is observed that the Nusselt number increases at the all volume fraction of particles, by increasing the Reynolds number and the volumetric ratios of the particles. The highest heat transfer enhancement is obtained at Re = 2160 and 0.4 % vol. by 14% under the condition of a constant pumping power.

Keywords: nanofluid, microchannel, heat transfer, SiO2-water nanofluid

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Authors: Roshanak Khodabakhsh Jolfaei, Javad Akbari Torkestani

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As a cooperative environment for problem-solving, it is necessary that grids develop efficient job scheduling patterns with regard to their goals, domains and structure. Since the Grid environments facilitate distributed calculations, job scheduling appears in the form of a critical problem for the management of Grid sources that influences severely on the efficiency for the whole Grid environment. Due to the existence of some specifications such as sources dynamicity and conditions of the network in Grid, some algorithm should be presented to be adjustable and scalable with increasing the network growth. For this purpose, in this paper a job scheduling algorithm has been presented on the basis of learning automata in computational Grid which the performance of its results were compared with FPSO algorithm (Fuzzy Particle Swarm Optimization algorithm) and GJS algorithm (Grid Job Scheduling algorithm). The obtained numerical results indicated the superiority of suggested algorithm in comparison with FPSO and GJS. In addition, the obtained results classified FPSO and GJS in the second and third position respectively after the mentioned algorithm.

Keywords: computational grid, job scheduling, learning automata, dynamic scheduling

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Authors: Nasiru Aliyu, Glyn Atkinson, Nick Stannard

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With increasing demand for electric motors used in nearly all sectors of our day to day activities, which range from the motor that rotates the washing machine and dishwasher to the tens of thousands of motors used in domestic appliance. The number of applications for soft magnetic composites (SMC) material is growing significantly. This paper presents the development of a compact single sided concentrated winding axial flux PM motor using soft magnetic composite as core for reducing core losses and cost. The effects of changing the flux carrying component to pressed SMC parts are investigated based on a comprehensive understanding of the properties of the material. A 3-D finite-element analysis is performed for accurate parameter calculation. To validate the simulation, a new static test measurement was fully conducted on a prototype motor and agree with the theoretical calculations and old measured static test.

Keywords: SMC, compact development, axial field motor, 3DFA

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Authors: Harpreet Kaur, Er. Arjun, Kirandeep Kaur, P. K. Mittal

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Simulation of a human body from 20% gelatin & 80% water mixture is examined from wound ballistics point of view. Parameters such as incapacitation energy & temporary to permanent cavity size & tools of hydrodynamics have been employed to arrive at a model of human body similar to the one adopted by NATO. Calculations using equations of motion yield a value of 339 µs in which a temporary cavity with maximum size settles down to permanent cavity. This occurs for a 10mm size bullets & settle down to permanent cavity in case of 4 different bullets i.e. 5.45, 5.56, 7.62,10 mm sizes The obtained results are in excellent agreement with the body as right circular cylinder of 15 cm height & 10 cm diameter. An effort is made here in this work to present a sound theoretical base to parameters commonly used in wound ballistics from field experience discussed by Col Coats & Major Beyer. Keywords. Gelatin, gunshot, hydrodynamic model, oscillation time, temporary cavity and permanent cavity, Wound Ballistic.

Keywords: gelatin, gunshot, wound, cavity

Procedia PDF Downloads 84

Authors: Seok Hong Min, Tae Kwon Ha

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With increasing demands for high performance materials, intensive interest on the Ti has been focused. Especially, low cost production process of Ti has been extremely necessitated from wide parts and various industries. Tetrachloride (TiCl₄) is produced by fluidized bed using high TiO₂ feedstock and used as an intermediate product for the production of metal titanium sponge. Reduction of TiCl₄ is usually conducted by Kroll process using magnesium as a reduction reagent, producing metallic Ti in the shape of sponge. The process is batch type and takes very long time including post processes treating sponge. As an alternative reduction reagent, hydrogen in the state of plasma has long been strongly recommended. Experimental confirmation has not been completely reported yet and more strict analysis is required. In the present study, hydrogen plasma reduction process has been thermodynamically analyzed focusing the effects of temperature, pressure and concentration. All thermodynamic calculations were performed using the FactSage® thermodynamical software.

Keywords: TiCl₄, titanium, hydrogen, plasma, reduction, thermodynamic calculation

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Authors: Ł. Kaczmarek, T. Wejrzanowski, M. Maksimczuk

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The study presents the use of the numerical calculations based on high-resolution computed microtomography in analysis of fluid flow through Miocene sandstones. Therefore, the permeability studies of rocks were performed. Miocene samples were taken from well S-3, located in the eastern part of the Carpathian Foredeep. For aforementioned analysis, two series of X-ray irradiation were performed. The first set of samples was selected to obtain the spatial distribution of grains and pores. At this stage of the study length of voxel side amounted 27 microns. The next set of X-ray irradation enabled recognition of microstructural components as well as petrophysical features. The length of voxel side in this stage was up to 2 µm. Based on this study, the samples were broken down into two distinct groups. The first one represents conventional reservoir deposits, in opposite to second one - unconventional type. Appropriate identification of petrophysical parameters such as porosity and permeability of the formation is a key element for optimization of the reservoir development.

Keywords: grains, permeability, pores, pressure distribution

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Authors: Tamás Mankovits, Dávid Huri, Imre Kállai, Imre Kocsis, Tamás Szabó

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Non-linear FEM calculations are indispensable when important technical information like operating performance of a rubber component is desired. Rubber bumpers built into air-spring structures may undergo large deformations under load, which in itself shows non-linear behavior. The changing contact range between the parts and the incompressibility of the rubber increases this non-linear behavior further. The material characterization of an elastomeric component is also a demanding engineering task. In this paper, a comprehensive investigation is introduced including laboratory measurements, mesh density analysis and complex finite element simulations to obtain the load-displacement curve of the chosen rubber bumper. Contact and friction effects are also taken into consideration. The aim of this research is to elaborate an FEM model which is accurate and competitive for a future shape optimization task.

Keywords: rubber bumper, finite element analysis, compression test, Mooney-Rivlin material model

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Authors: Zhanar Imanova

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Masses of real celestial bodies change anisotropically and reactive forces appear, and they need to be taken into account in the study of these bodies' dynamics. We studied the two-planet problem of three bodies with variable masses in the presence of reactive forces and obtained the equations of perturbed motion in Newton’s form equations. The motion equations in the orbital coordinate system, unlike the Lagrange equation, are convenient for taking into account the reactive forces. The perturbing force is expanded in terms of osculating elements. The expansion of perturbing functions is a time-consuming analytical calculation and results in very cumber some analytical expressions. In the considered problem, we obtained expansions of perturbing functions by small parameters up to and including the second degree. In the non resonant case, we obtained evolution equations in the Newton equation form. All symbolic calculations were done in Wolfram Mathematica.

Keywords: two-planet, three-body problem, variable mass, evolutionary equations

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Authors: S. N. Derrar, M. Sekkal-Rahal

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The Nonlinear optics (NLO) technique is widely used in the field of biological imaging. In fact, grafting biological entities with a high NLO response on tissues and cells enhances the NLO responses of these latter, and ameliorates, consequently, their biological imaging quality. In this optics, we carried out a theoretical study, in the aim of analyzing the peptide bonds created between alanine amino acid and both unnatural amino acids: L-Dopa and Azatryptophan, respectively. Ramachandran plots have been performed for these systems, and their structural parameters have been analyzed. The NLO responses of these peptides have been reported by calculating the first hyperpolarizability values of all the minima found on the plots. The use of such unnatural amino acids as endogenous probing molecules has been investigated through this study. The Density Functional Theory (DFT) has been used for structural properties, while the Second-order Møller-Plesset Perturbation Theory (MP2) has been employed for the NLO calculations.

Keywords: biological imaging, hyperpolarizability, nonlinear optics, probing molecule

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Authors: A. Falenski, A. Kaesbohrer, M. Filter

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Introduction: Risk assessments can be performed in various ways and in different degrees of complexity. In order to assess risks associated with imported foods additional information needs to be taken into account compared to a risk assessment on regional products. The present review is an overview on currently available best practise approaches and data sources used for food import risk assessments (IRAs). Methods: A literature review has been performed. PubMed was searched for articles about food IRAs published in the years 2004 to 2014 (English and German texts only, search string “(English [la] OR German [la]) (2004:2014 [dp]) import [ti] risk”). Titles and abstracts were screened for import risks in the context of IRAs. The finally selected publications were analysed according to a predefined questionnaire extracting the following information: risk assessment guidelines followed, modelling methods used, data and software applied, existence of an analysis of uncertainty and variability. IRAs cited in these publications were also included in the analysis. Results: The PubMed search resulted in 49 publications, 17 of which contained information about import risks and risk assessments. Within these 19 cross references were identified to be of interest for the present study. These included original articles, reviews and guidelines. At least one of the guidelines of the World Organisation for Animal Health (OIE) and the Codex Alimentarius Commission were referenced in any of the IRAs, either for import of animals or for imports concerning foods, respectively. Interestingly, also a combination of both was used to assess the risk associated with the import of live animals serving as the source of food. Methods ranged from full quantitative IRAs using probabilistic models and dose-response models to qualitative IRA in which decision trees or severity tables were set up using parameter estimations based on expert opinions. Calculations were done using @Risk, R or Excel. Most heterogeneous was the type of data used, ranging from general information on imported goods (food, live animals) to pathogen prevalence in the country of origin. These data were either publicly available in databases or lists (e.g., OIE WAHID and Handystatus II, FAOSTAT, Eurostat, TRACES), accessible on a national level (e.g., herd information) or only open to a small group of people (flight passenger import data at national airport customs office). In the IRAs, an uncertainty analysis has been mentioned in some cases, but calculations have been performed only in a few cases. Conclusion: The current state-of-the-art in the assessment of risks of imported foods is characterized by a great heterogeneity in relation to general methodology and data used. Often information is gathered on a case-by-case basis and reformatted by hand in order to perform the IRA. This analysis therefore illustrates the need for a flexible, modular framework supporting the connection of existing data sources with data analysis and modelling tools. Such an infrastructure could pave the way to IRA workflows applicable ad-hoc, e.g. in case of a crisis situation.

Keywords: import risk assessment, review, tools, food import

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Authors: Mohammad Saeed Bahramy

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Transition metal dichalcogenides have experienced a resurgence of interest in the past few years owing to their rich properties, ranging from metals and superconductors to strongly spin-orbit-coupled semiconductors and charge-density-wave systems. In all these cases, the transition metal d-electrons mainly determine the ground state properties. This presentation focuses on the chalcogen-derived states. Combining density-functional theory calculations with spin- and angle-resolved photoemission, it is shown that these states generically host a coexistence of type I and type II three-dimensional bulk Dirac fermions as well as ladders of topological surface states and surface resonances. It will be discussed how these naturally arise within a single p-orbital manifold as a general consequence of a trigonal crystal field, and as such can be expected across many compounds. Our finding opens a new route to design topological materials with advanced functionalities.

Keywords: topology, electronic structure, Dirac semimetals, transition metal dichalcogenides

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Authors: Noushin Naraghi Araghi, M. Nawawi, Syed Mustafizur Rahman

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This paper presents the effect of Sumatra fault earthquakes on west Malaysia by calculating the peak horizontal ground acceleration (PGA). PGA is calculated by a probabilistic seismic hazard assessment (PSHA). A uniform catalog of earthquakes for the interest region has been provided. We used empirical relations to convert all magnitudes to Moment Magnitude. After eliminating foreshocks and aftershocks in order to achieve more reliable results, the completeness of the catalog and uncertainty of magnitudes have been estimated and seismicity parameters were calculated. Our seismic source model considers the Sumatran strike slip fault that is known historically to generate large earthquakes. The calculations were done using the logic tree method and four attenuation relationships and slip rates for different part of this fault. Seismic hazard assessment carried out for 48 grid points. Eventually, two seismic hazard maps based PGA for 5% and 10% probability of exceedance in 50 year are presented.

Keywords: Sumatra fault, west Malaysia, PGA, seismic parameters

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Authors: Hadi Ghasemi, Mark Leonard, Spiliopoulos Spiro, Phil Cummins, Mathew Moihoi, Felix Taranu, Eric Buri, Chris Mckee

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In this study the level of seismic hazard in terms of Peak Ground Acceleration (PGA) was calculated for return period of 475 years, using modeled seismic sources and assigned ground-motion equations. The calculations were performed for bedrock site conditions (Vs30=760 m/s). From the results it is evident that the seismic hazard reaches its maximum level (i.e. PGA≈1g for 475 yr return period) at the Huon Peninsula and southern New Britain regions. Disaggregation analysis revealed that moderate to large earthquakes occurring along the New Britain Trench mainly control the level of hazard at these locations. The open-source computer program OpenQuake developed by Global Earthquake Model foundation was used for the seismic hazard computations. It should be emphasized that the presented results are still preliminary and should not be interpreted as our final assessment of seismic hazard in PNG.

Keywords: probabilistic seismic hazard assessment, Papua New Guinea, building code, OpenQuake

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Authors: S. Jahangir, S. H. I. Jaffery, M. Khan, Z. Zareef, A. Yar, A. Mubashir, S. Butt, L. Ali

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In this work, drilling responses and behavior of MMC was investigated in Al-Mg2Si composites. For the purpose Al-15% wt. Mg2Si, was selected from the hypereutectic region of Al- Mg2Si phase diagram. Based on hardness and tensile strength, drill bit of appropriate material and morphology was selected. The performance of different drill bits of different morphology and material was studied and analysed using experimental data. For theoretical calculations of axial thrust force and required power calculation, material factor “K” was obtained from different data charts and at the same time cutting forces (drilling forces) were practically obtained using a Peizo electric force dynamometer. These results show the role of reinforcement particles on the machinability of MMCs and provide a useful guide for a better control and optimized drilling parameters for the drilling process. Furthermore, in this work, comparison of MMC with non -reinforced Aluminum Alloy regarding drilling operation was also studied.

Keywords: drilling, metal matrix composite (MMC), cutting forces, thrust force

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Authors: Martha E. Aguiar-Barrera, Humberto Gutierrez-Pulido, Veronica Vargas-Alejo

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Identifying and modeling random phenomena is a fundamental cognitive process to understand and transform reality. Recognizing situations governed by chance and giving them a scientific interpretation, without being carried away by beliefs or intuitions, is a basic training for citizens. Hence the importance of generating teaching-learning processes, supported using technology, paying attention to model creation rather than only executing mathematical calculations. In order to develop the student's knowledge about basic probability distributions and decision making; in this work a model eliciting activity (MEA) is reported. The intention was applying the Model and Modeling Perspective to design an activity related to civil engineering that would be understandable for students, while involving them in its solution. Furthermore, the activity should imply a decision-making challenge based on sample data, and the use of the computer should be considered. The activity was designed considering the six design principles for MEA proposed by Lesh and collaborators. These are model construction, reality, self-evaluation, model documentation, shareable and reusable, and prototype. The application and refinement of the activity was carried out during three school cycles in the Probability and Statistics class for Civil Engineering students at the University of Guadalajara. The analysis of the way in which the students sought to solve the activity was made using audio and video recordings, as well as with the individual and team reports of the students. The information obtained was categorized according to the activity phase (individual or team) and the category of analysis (sample, linearity, probability, distributions, mechanization, and decision-making). With the results obtained through the MEA, four obstacles have been identified to understand and apply the binomial distribution: the first one was the resistance of the student to move from the linear to the probabilistic model; the second one, the difficulty of visualizing (infering) the behavior of the population through the sample data; the third one, viewing the sample as an isolated event and not as part of a random process that must be viewed in the context of a probability distribution; and the fourth one, the difficulty of decision-making with the support of probabilistic calculations. These obstacles have also been identified in literature on the teaching of probability and statistics. Recognizing these concepts as obstacles to understanding probability distributions, and that these do not change after an intervention, allows for the modification of these interventions and the MEA. In such a way, the students may identify themselves the erroneous solutions when they carrying out the MEA. The MEA also showed to be democratic since several students who had little participation and low grades in the first units, improved their participation. Regarding the use of the computer, the RStudio software was useful in several tasks, for example in such as plotting the probability distributions and to exploring different sample sizes. In conclusion, with the models created to solve the MEA, the Civil Engineering students improved their probabilistic knowledge and understanding of fundamental concepts such as sample, population, and probability distribution.

Keywords: linear model, models and modeling, probability, randomness, sample

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Authors: B. Umaru Mohammed, Faris A. Al-Maziad, Mohammad Y. Numan

Abstract:

One of the most important factors affecting the energy performance within a building is a carefully and efficiently designed facade. The primary aim of this research was to identify and present the potentiality of utilising Double-Skin Facade (DSF) construction and critically examine its effect on the energy consumption of an office building located within a maritime desert climate as to the conventional single-skin curtain wall system. A comparative analysis of the effect on the overall energy consumption within an office building was investigated in which a combination of various Double-Skin Facade configurations, systems, and cavity depths, glazing types and orientations were utilised. A computer dynamic modelling was utilised in order to ensure accurate calculations and efficient simulations of the various DSF systems due to the complex nature of the various functions within the Facade cavity. Through the use of the dynamic thermal modelling simulations, the best cavity size glazed type and orientation were determined to lead to a detailed analysis of the efficiency of each respective combination of Double-Skin Facade construction. As such the optimal facade combination for use within an office building located in a maritime desert climate was identified. Results demonstrated that a multi-story Facade, depending on its configuration, save up to 5% on annual cooling loads respect to a Corridor Facade and while vented can save unto 12% when compared to the single skin façade, on annual cooling load in the maritime desert climate. The selected configuration of the DSF from SSF saves an overall annual cooling load of 32%.A comparative analysis of the effect on the overall energy consumption within an office building was investigated in which a combination of various Double-Skin Facade configurations, systems, and cavity depths, glazing types and orientations were utilized. A computer dynamic modelling was utilized in order to ensure accurate calculations and efficient simulations of the various DSF systems due to the complex nature of the various functions within the Facade cavity. Through the use of the dynamic thermal modelling simulations, the best cavity size glazed type and orientation were determined to lead to a detailed analysis of the efficiency of each respective combination of Double-Skin Facade construction. As such the optimal facade combination for use within an office building located in a maritime desert climate was identified. Results demonstrated that a multi-story Facade, depending on its configuration, save up to 5% on annual cooling loads respect to a Corridor Facade and while vented can save unto 12% when compared to the single skin facade, on annual cooling load in the maritime desert climate. The selected configuration of the DSF from SSF saves an overall annual cooling load of 32%.

Keywords: computer dynamics modelling, comparative analysis, energy computation, double skin facade, single skin curtain wall, maritime desert climate

Procedia PDF Downloads 324

Authors: Morsy Ahmed Morsy Ismail

Abstract:

In this paper, the structure of a coherent homodyne receiver for the Binary Phase Shift Keying (BPSK) Optical Code Division Multiple Access (OCDMA) network is introduced based on the Multi-Length Weighted Modified Prime Code (ML-WMPC) for multimedia applications. The Bit Error Rate (BER) of this homodyne detection is evaluated as a function of the number of active users and the signal to noise ratio for different code lengths according to the multimedia application such as audio, voice, and video. Besides, the Mach-Zehnder interferometer is used as an external phase modulator in homodyne detection. Furthermore, the Multiple Access Interference (MAI) and the receiver noise in a shot-noise limited regime are taken into consideration in the BER calculations.

Keywords: OCDMA networks, bit error rate, multiple access interference, binary phase-shift keying, multimedia

Procedia PDF Downloads 153

Authors: Ameur Soukaina, Zeroual Abdellah, Mazoir Noureddine

Abstract:

Molecular Electron Density Theory (MEDT) elucidates the regioselectivity of the [4+2] cycloaddition reaction between 3-aroylpyrrolo[1,2-α]quinoxaline-1,2,4(5H)-trione and butyl vinyl ether Regioselectivity and stereoselectivity. The regioselectivity mechanisms of these reactions were investigated by evaluating potential energy surfaces calculated for cycloaddition processes and DFT density-based reactivity indices. These methods have been successfully applied to predict preferred regioisomers for different method alternatives. Reactions were monitored by performing transition state optimizations, calculations of intrinsic reaction coordinates, and activation energies. The observed regioselectivity was rationalized using DFT-based reactivity descriptors such as the Parr function. Solvent effects were also investigated in 1,4-dioxane solvent using a field model for self-consistent reactions. The results were compared with experimental data to find good agreement.

Keywords: cycloaddition, DFT, ELF, MEDT, parr, stereoselectivité

Procedia PDF Downloads 88