Search results for: toric calculations

Authors: Yuhan Lin, Rohan Kekatpure, Cassidy Yeung

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In Digital Marketing, robust quantification of View-through attribution (VTA) is necessary for evaluating channel effectiveness. VTA occurs when a product purchase is aided by an Ad but without an explicit click (e.g. a TV ad). A lack of a tracking mechanism makes VTA estimation challenging. Most prevalent VTA estimation techniques rely on post-purchase in-product user surveys. User surveys enable the calculation of channel multipliers, which are the ratio of the view-attributed to the click-attributed purchases of each marketing channel. Channel multipliers thus provide a way to estimate the unknown VTA for a channel from its known click attribution. In this work, we use Convex Optimization to compute channel multipliers in a way that enables a mathematical encoding of the expected channel behavior. Large fluctuations in channel attributions often result from overfitting the calculations to user surveys. Casting channel attribution as a Convex Optimization problem allows an introduction of constraints that limit such fluctuations. The result of our study is a distribution of channel multipliers across the entire marketing funnel, with important implications for marketing spend optimization. Our technique can be broadly applied to estimate Ad effectiveness in a privacy-centric world that increasingly limits user tracking.

Keywords: digital marketing, survey analysis, operational research, convex optimization, channel attribution

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Authors: Harsh Sadawarti, Kamal Malik

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Humans are the unique and the most powerful creature on this planet just because of the high level of intelligence gifted by nature. Computational Intelligence is highly influenced by the term natural intelligence, neurosciences and mathematics. To deal with the in-depth study of computational intelligence and to utilize it in real-life applications, it is quite important to understand its simulation with the human brain. In this paper, the three important parts, Frontal Lobe, Occipital Lobe and Parietal Lobe of the human brain, are compared with the ANN(Artificial Neural Network), CNN(Convolutional Neural network), and RNN(Recurrent Neural Network), respectively. Intelligent computational systems are created by combining deductive reasoning, logical concepts and high-level algorithms with the simulation and study of the human brain. Human brain is a combination of Physiology, Psychology, emotions, calculations and many other parameters which are of utmost importance that determines the overall intelligence. To create intelligent algorithms, smart machines and to simulate the human brain in an effective manner, it is quite important to have an insight into the human brain and the basic concepts of biological neurosciences.

Keywords: computational intelligence, neurosciences, convolutional neural network, recurrent neural network, artificial neural network, frontal lobe, occipital lobe, parietal lobe

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Authors: Sanat K. Dash, Rama S. Verma, Sarit K. Das

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A logarithmic microfluidic shear device was designed and fabricated for cellular mechanotransduction studies. The device contains four cell culture chambers in which flow was modulated to achieve a logarithmic increment. Resistance values were optimized to make the device compact. The network of resistances was developed according to a unique combination of series and parallel resistances as found via optimization. Simulation results done in Ansys 16.1 matched the analytical calculations and showed the shear stress distribution at different inlet flow rates. Fabrication of the device was carried out using conventional photolithography and PDMS soft lithography. Flow profile was validated taking DI water as working fluid and measuring the volume collected at all four outlets. Volumes collected at the outlets were in accordance with the simulation results at inlet flow rates ranging from 1 ml/min to 0.1 ml/min. The device can exert fluid shear stresses ranging four orders of magnitude on the culture chamber walls which will cover shear stress values from interstitial flow to blood flow. This will allow studying cell behavior in the long physiological range of shear stress in a single run reducing number of experiments.

Keywords: microfluidics, mechanotransduction, fluid shear stress, physiological shear

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Authors: Andri Hidayat, Zufialdi Zakaria, Raden Irvan Sophian

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Batam city within next five years are expected to experience water crisis. Sei Gong dam which is located in the Sijantung village, Galang District, Batam City, Riau Islands Province is one of 13 dams that will be built to solve the problems of raw water crisis in the Batam city. The purpose of this study are to determine the condition of engineering geology around Sei Gong Dam area, knowing the value of the soil bearing capacity and recommended pile foundation, and knowing the characteristics of the soil consolidation as one of the factors that affect the incidence of soil subsidence. Based on calculations for shallow foundation in general - soil shear condition and local - soil condition indicates that the highest value in ultimate soil bearing capacity (qu) for each depth was in the square foundations at two meters depth. The zonations of shallow foundation of the research area are divided into five zones, they are bearing capacity zone <10 ton/m2, bearing capacity zone 10-15 ton/m2, bearing capacity zone 15-20 ton/m2, bearing capacity zone 20-25 ton/m2, and bearing capacity zone >25 ton/m2. Based on the parameters of soil engineering analysis, Sei Gong Dam areas at the middle part has a higher value for land subsidence.

Keywords: ultimate bearing capacity, type of foundation, consolidation, land subsidence, Batam

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Authors: Manjusha C. Padole, Parag A. Deshpande

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Density functional theory calculations were carried out for identification of an active heterogeneous catalyst to carry out Heck coupling reaction which is of pharmaceutical importance. One of the carbonaceous nanomaterials, heterofullerene, was designed for the reaction. Stability and reactivity of the proposed heterofullerenes (C59M, M = Pd/Ni) were established with insights into the metal-carbon bond, electron affinity and chemical potential. Adsorbent potentials of both the heterofullerenes were examined from the adsorption study of four halobenzenes (C6H5F, C6H5Cl, C6H5Br and C6H5I). Oxidative addition activities of all four halobenzenes were investigated by developing free energy landscapes over both the heterofullerenes for rate determining step (oxidative addition). C6H5I showed a good catalytic activity for the rate determining step. Thus, C6H5I was proposed as a suitable halobenzene and complete free energy landscapes for Heck coupling reaction were developed over C59Pd and C59Ni. Smaller activation barriers observed over C59Pd in comparison with C59Ni put us in a position to propose C59Pd to be an efficient heterofullerene for carrying Heck coupling reaction.

Keywords: metal-substituted fullerene, density functional theory, electron affinity, oxidative addition, Heck coupling reaction

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Authors: Moshe Mello, Hilary Rutto, Tumisang Seodigeng

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The accelerating requirement to reach 0% sulfur content in liquid fuels demands researchers to seek efficient alternative technologies to challenge the predicament. In this current study, the adsorption capabilities of modified Cu(I)-Y zeolite were tested for removal of organosulfur compounds (OSC) present in TPO. The π-complexation-based adsorbent was obtained by ion exchanging Y-zeolite with Cu+ cation using liquid phase ion exchange (LPIE). Preparation of the adsorbent involved firstly ion-exchange between Na-Y zeolite with a Cu(NO3)2 aqueous solution of 0.5M for 48 hours followed by reduction of Cu2+ to Cu+. Batch studies for TPO in comparison with model diesel comprising of sulfur compounds such as thiophene (TH), benzothiophene (BTH), dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophe (4,6-DMDBT) showed that modified Cu(I)-Y zeolite is an effective adsorbent for removal of OSC in liquid fuels. The effect of multiple operating conditions such as adsorbent dosage, reaction time and temperature were studied to optimize the process. For model diesel fuel, the selectivity for adsorption of sulfur compounds followed the order 4,6-DMDBT> DBT> BTH> TH. Interpretation of the results was justified using the molecular orbital theory and calculations. Langmuir and Freundlich isotherms were used to predict adsorption of the reaction mixture. The Cu(I)-Y zeolite is fully regeneratable and this is achieved by a simple procedure of blowing the adsorbent with air at 350 °C, followed by reactivation at 450 °C in a rich helium surrounding.

Keywords: adsorption, desulfurization, TPO, zeolite

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Authors: Mehmet Akköse

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In ground motions recorded in recent major earthquakes such as 1994 Northridge earthquake in US, 1995 Kobe earthquake in Japan, 1999 Chi-Chi earthquake in Taiwan, and 1999 Kocaeli earthquake in Turkey, it is noticed that they have large velocity pulses. The ground motions with the velocity pulses recorded in the vicinity of an earthquake fault are quite different from the usual far-fault earthquake ground motions. The velocity pulse duration in the near-fault ground motions is larger than 1.0 sec. In addition, the ratio of the peak ground velocity (PGV) to the peak ground acceleration (PGA) of the near-fault ground motions is larger than 0.1 sec. The ground motions having these characteristics expose the structure to high input energy in the beginning of the earthquake and cause large structural responses. Therefore, structural response to near-fault ground motions has received much attention in recent years. Interactions between neighboring, inadequately separated buildings have been repeatedly observed during earthquakes. This phenomenon often referred to as earthquake-induced structural pounding, may result in substantial damage or even total destruction of colliding structures during strong ground motions. This study focuses on effects of near-fault ground motions on earthquake-induced pounding response of RC buildings. The program SAP2000 is employed in the response calculations. The results obtained from the pounding analyses for near-fault and far-fault ground motions are compared with each other.

Keywords: near-fault ground motion, pounding analysis, RC buildings, SAP2000

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Authors: Wajdi Mohamed Ratemi

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The very well-known stacked sets of numbers referred to as Pascal’s triangle present the coefficients of the binomial expansion of the form (x+y)n. This paper presents an approach (the Staircase Horizontal Vertical, SHV-method) to the generalization of planar Pascal’s triangle for polynomial expansion of the form (x+y+z+w+r+⋯)n. The presented generalization of Pascal’s triangle is different from other generalizations of Pascal’s triangles given in the literature. The coefficients of the generalized Pascal’s triangles, presented in this work, are generated by inspection, using embedded Pascal’s triangles. The coefficients of I-variables expansion are generated by horizontally laying out the Pascal’s elements of (I-1) variables expansion, in a staircase manner, and multiplying them with the relevant columns of vertically laid out classical Pascal’s elements, hence avoiding factorial calculations for generating the coefficients of the polynomial expansion. Furthermore, the classical Pascal’s triangle has some pattern built into it regarding its odd and even numbers. Such pattern is known as the Sierpinski’s triangle. In this study, a presentation of Sierpinski-like patterns of the generalized Pascal’s triangles is given. Applications related to those coefficients of the binomial expansion (Pascal’s triangle), or polynomial expansion (generalized Pascal’s triangles) can be in areas of combinatorics, and probabilities.

Keywords: pascal’s triangle, generalized pascal’s triangle, polynomial expansion, sierpinski’s triangle, combinatorics, probabilities

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Authors: M. S. Belashov, A. V. Benin, Lin Hong, Sh. Sh. Nazarova, O. B. Sabirova, A. M. Uzdin, Lin Hong

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The features of calculating structures for the action of weak earthquakes are analyzed. Earthquakes with a recurrence of 30 years and 50 years are considered. In the first case, the structure is to operate normally without damage after the earthquake. In the second case, damages are allowed that do not affect the possibility of the structure operation. Three issues are emphasized: setting elastic and damping characteristics of reinforced concrete, formalization of limit states, and combinations of loads. The dependence of damping on the reinforcement coefficient is estimated. When evaluating limit states, in addition to calculations for crack resistance and strength, a human factor, i.e., the possibility of panic among people, was considered. To avoid it, it is proposed to limit a floor-by-floor speed level in certain octave ranges. Proposals have been developed for estimating the coefficients of the combination of various loads with the seismic one. As an example, coefficients of combinations of seismic and ice loads are estimated. It is shown that for strong actions, the combination coefficients for different regions turn out to be close, while for weak actions, they may differ.

Keywords: weak earthquake, frequent earthquake, damage, limit state, reinforcement, crack resistance, strength resistance, a floor-by-floor velocity, combination coefficients

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Authors: Hanan M. Taleb

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Since buildings are a major consumer of energy, their potential impact on the environment is considerable. Therefore, expanding the application of low energy architecture is of the utmost importance. Designing with nature is also one of the most attractive methods of design for many architects and designers because it creates a pathway to sustainability. One feature of designing with nature is the use of green roofing which aims to cover the roof with vegetation either partially or completely. Appreciably, green roofing in a building has many advantages including absorbing rainwater, providing thermal insulation, enhancing the ecology, creating a peaceful retreat for people and animals, improving air quality and helping to offset the air temperature and heat island effect. The aim of this paper is to monitor energy saving in the residential buildings of Dubai after applying green roofing techniques. The paper also attempts to provide a thermal analysis after the application of green roofs. A villa in Dubai was chosen as a case study. With the aid of energy simulation software, namely Design Builder, as well as manual recording and calculations, the energy savings after applying the green roofing were detected. To that extent, the paper draws some recommendations with regard to the types of green roofing that should be used in these particular climatic conditions based on this real experiment that took place over a one year period.

Keywords: residential buildings, Dubai, energy saving, green roofing, CFD, thermal comfort

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Authors: Pratyush Agnihotri

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The space missions are very costly because the transportation to the space is highly expensive and therefore there is the need to achieve complete re-usability in our launch vehicles to make the missions highly economic by cost cutting of the material recovered. Launcher reusability is the most efficient approach to decreasing admittance to space access economy, however stays an incredible specialized hurdle for the aerospace industry. Major concern of the difficulties lies in guidance and control procedure and calculations, specifically for those of the controlled landing stage, which should empower an exact landing with low fuel edges. Although cutting edge ways for navigation and control are present viz hybrid navigation and robust control. But for powered descent and landing of first stage of launch vehicle the guidance control is need to enable on board optimization. At first the CAD model of the launch vehicle I.e. space x falcon 9 rocket is presented for better understanding of the architecture that needs to be identified for the guidance and control solution for the recovery of the launcher. The focus is on providing the landing phase guidance scheme for recovery and re usability of first stage using retro propulsion. After reviewing various GNC solutions, to achieve accuracy in pre requisite landing online convex and successive optimization are explored as the guidance schemes.

Keywords: guidance, navigation, control, retro propulsion, reusable rockets

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Authors: Yaxin Tang, Mingao Hou, Qian He, Guangfu Luo

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Bimetallic nanoparticles serve as a promising class of catalysts with tunable properties suitable for diverse catalytic reactions, yet a comprehensive understanding of their actual structures under operating conditions and the optimal design principles remains largely elusive. In this study, we unveil a prevalent surface segregation phenomenon in nearly 100 platinum-group-element-based bimetallic nanoparticles through first principles-based molecular dynamics simulations. Our findings highlight that two components in a nanoparticle with relatively lower surface energy tend to segregate to the surface. Motivated by this discovery, we propose a deliberate exploitation of surface segregation in designing bimetallic nanoparticle catalysts, aiming for heightened stability and reduced consumption of precious metals. To validate this strategy, we further investigate 36 platinum-based bimetallic nanoparticles for propane dehydrogenation catalysis. Through a systematic examination of catalytic sites on nanoparticles, we identify several systems as top candidates with Pt-enriched surfaces, remarkable thermal stability, and superior catalytic activity for propane dehydrogenation. The insights gained garnered from this study are anticipated to provide a valuable framework for the optimal design of other bimetallic nanoparticles.

Keywords: bimetallic nanoparticles, platinum-group element, catalysis, surface segregation, first-principles calculations

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Authors: Kevin Anderson, Sukhwinder Singh Sandhu, Nouh Anies, Shilpa Ravichandra, Steven Dobbs, Donald Edberg

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This paper presents the results of a Finite Element based vibration analysis of a solar powered Unmanned Aerial Vehicle (UAV). The purpose of this paper was to quantify the free vibration, forced vibration response due to differing point inputs in order to mimic the vibration induced by actuators (magnet in coil generators) used to aid in the flight of the UAV. A Fluid-Structure Interaction (FSI) study was performed in order to ascertain pertinent deigns stresses and deflections as well as aerodynamic parameters of the UAV airfoil. The 10 ft span airfoil is modeled using Mylar as the primary material. Results show that the free mode in bending is 4.8 Hz while the first forced bending mode is in the range of 16.2 to 16.7 Hz depending on the location of excitation. The free torsional bending mode is 28.3 Hz, and the first forced torsional mode is in the range of 26.4 to 27.8 Hz, depending on the location of excitation. The FSI results predict the coefficients of aerodynamic drag and lift of 0.0052 and 0.077, respectively, which matches hand-calculations used to validate the Finite Element based results. FSI based maximum von Mises stresses and deflections were found to be 0.282 MPa and 3.4 mm, respectively. Dynamic pressures on the airfoil range of 1.04 to 1.23 kPa corresponding to velocity magnitudes in the range of 22 to 66 m/s.

Keywords: ANSYS, finite element, FSI, UAV, vibrations

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Authors: Milind S. Patil, Purushottam S. Desale, Eknath R. Deore

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Thermal analysis of reheat, regenerative, inter-cooled gas turbine cycle is presented. Specific work output, thermal efficiency and SFC is simulated with respect to operating conditions. Analytical formulas were developed taking into account the effect of operational parameters like ambient temperature, compression ratio, compressor efficiency, turbine efficiency, regenerator effectiveness, pressure loss in inter cooling, reheating and regenerator. Calculations were made for wide range of parameters using engineering equation solver and the results were presented here. For pressure ratio of 12, regenerator effectiveness 0.95, and maximum turbine inlet temperature 1200 K, thermal efficiency decreases by 27% with increase in ambient temperature (278 K to 328 K). With decrease in regenerator effectiveness thermal efficiency decreases linearly. With increase in ambient temperature (278 K to 328 K) for the same maximum temperature and regenerator effectiveness SFC decreases up to a pressure ratio of 10 and then increases. Sharp rise in SFC is noted for higher ambient temperature. With increase in isentropic efficiency of compressor and turbine, thermal efficiency increases by about 40% for low ambient temperature (278 K to 298 K) however, for higher ambient temperature (308 K to 328 K) thermal efficiency increases by about 70%.

Keywords: gas turbine, reheating, regeneration, inter-cooled, thermal analysis

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Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

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

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

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Authors: Muhammad Abdullah, Asma Rashid Butt, Nauman Raza

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Biomagnetic fluids like blood play key role in different applications of medical science and bioengineering. In this paper, the magnetohydrodynamic flow of a viscous fluid with magnetic particles through a cylindrical tube is investigated. The fluid is electrically charged in the presence of a uniform external magnetic field. The movement in the fluid is produced due to the cylindrical tube. Initially, the fluid and tube are at rest and at time t=0⁺, the tube starts to move along its axis. To obtain the mathematical model of flow with fractional derivatives fractional calculus approach is used. The solution of the flow model is obtained by using Laplace transformation. The Simon's numerical algorithm is employed to obtain inverse Laplace transform. The hybrid technique, we are employing has less computational effort as compared to other methods. The numerical calculations have been performed with Mathcad software. As the special cases of our problem, the solution of flow model with ordinary derivatives and flow without magnetic particles has been procured. Finally, the impact of non-integer fractional parameter alpha, Hartmann number Ha, and Reynolds number Re on flow and magnetic particles velocity is analyzed and depicted by graphs.

Keywords: viscous fluid, magnetic particles, fractional calculus, laplace transformation

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Authors: Sarah Iaquinta, Christophe Blanquart, Elena Ishow, Sylvain Freour, Frederic Jacquemin, Shahram Khazaie

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Nanoparticles have recently emerged as a possible cancer treatment tool. Several formulations have been used to enhance the uptake of these nanoparticles by cancer cells and avoid their immediate clearance when administrated in vivo. Most of the previous studies focus on the investigation of the influence of the mechanical properties of the cell membrane and the particle. However, these studies do not account for the variation of adhesion and tension during the wrapping of the nanoparticle by the membrane. These couplings should be considered since the cell adapts to the interaction with the nanoparticle by, e.g., increasing the number of interactions (consequently leading to an increase of the cell membrane/nanoparticle adhesion) and by reorganizing its cytoskeleton, leading to the releasing of the tension of the cell membrane. The main contribution of this work is the proposal of a novel model for representing the cellular uptake of rigid circular nanoparticles based on an energetic model tailored to take into account the adaptation of the nanoparticle/cell membrane adhesion and of the membrane stress during wrapping. Several coupling models using sigmoidal functions are considered and compared. The study calculations revealed that the results considering constant parameters underestimated the final wrapping degree of the particle by up to 50%.

Keywords: adhesion, cellular adaptation, cellular uptake, mechanical properties, tension

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Authors: Mary L. G. S. Senna, Afonso R. Aquino

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The development of tourism causes negative impacts on the environment. It is in this context, through the Ecological Footprint (EF) method that this study aimed to characterize the impacts of ecotourism on the community of Mateiros, Jalapão, Brazil. The EF, which consisted in its original a method to construct a land use matrix, considering some major categories of human consumption such as food, housing, transportation, consumer goods and services, and six other categories from the main land use which are divided into the topics: land use, degraded environment, gardens, fertile land, pasture and forests protected by the government. The main objective of this index is to calculate the land area required for the production and maintenance of goods and services consumed by a community. The field research was conducted throughout the year of 2014 until July 2015. After the calculations of each category, these components were added according to the presented method in order to determine the annual EF of the tourism sector in Mateiros. The results show that the EF resulting from tourism in Mateiros is 2,194.22 hectares of land required for tourism activities in the region. The EF of tourism was considered high, nevertheless, if it is added the total of hectares needed annually for tourism activities, the result found would be 2,194.22 hectares needed to absorb the CO₂ emissions generated in the region directly from the tourism sector.

Keywords: sustainable tourism, tourism ecological footprint, Jalapão/TO/Brazil

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Authors: Aram Yakoby, Yossef H. Hatzor, Shmulik Pinkert

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This work presents an applied engineering method for evaluating the stability of underground openings under conditions of uncertainty. The developed method is demonstrated by a comprehensive parametric study on a case of large-diameter vertical borehole stability analysis, with uncertainties regarding the in-situ stress distribution. To this aim, a safety factor analysis is performed for the stability of both supported and unsupported boreholes. In the analysis, we used analytic geomechanical calculations and advanced numerical modeling to evaluate the estimated stress field. In addition, the work presents the development of a boundary condition for the numerical model that fits the nature of the problem and yields excellent accuracy. The borehole stability analysis is studied in terms of (1) the stress ratio in the vertical and horizontal directions, (2) the mechanical properties and geometry of the support system, and (3) the parametric sensitivity. The method's results are studied in light of a real case study of an underground waste disposal site. The conclusions of this study focus on the developed method for capturing the parametric uncertainty, the definition of critical geological depths, the criteria for implementing structural support, and the effectiveness of further in-situ investigations.

Keywords: borehole stability, in-situ stress, parametric study, factor of safety

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Authors: Faranak Felfeliyan, Parvaneh Shokrani, Maryam Atarod

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Introduction Using electron beam is widespread in radiotherapy. The main criteria in radiation therapy is to irradiate the tumor volume with maximum prescribed dose and minimum dose to vital organs around it. Using abutting fields is common in radiotherapy. The main problem in using abutting fields is dose inhomogeneity in the junction region. Electron beam divergence and lateral scattering may lead to hot and cold spots in the junction region. One solution for this problem is using of a spoiler to broaden the penumbra and uniform dose in the junction region. The goal of this research was to compare titanium and aluminum effects as a spoiler for dose uniformity achievement in the junction region of oblique electron fields with Monte Carlo simulation. Dose uniformity in the junction region depends on density, scattering power, thickness of the spoiler and the angle between two fields. Materials and Methods In this study, Monte Carlo model of Siemens Primus linear accelerator was simulated for a 5 MeV nominal energy electron beam using manufacture provided specifications. BEAMnrc and EGSnrc user code were used to simulate the treatment head in electron mode (simulation of beam model). The resulting phase space file was used as a source for dose calculations for 10×10 cm2 field size at SSD=100 cm in a 30×30×45 cm3 water phantom using DOSXYZnrc user code (dose calculations). An automatic MP3-M water phantom tank, MEPHYSTO mc2 software platform and a Semi-Flex Chamber-31010 with sensitive vol­ume of 0.125 cm3 (PTW, Freiburg, Germany) were used for dose distribution measurements. Moreover, the electron field size was 10×10 cm2 and SSD=100 cm. Validation of devel­oped beam model was done by comparing the measured and calculated depth and lateral dose distributions (verification of electron beam model). Simulation of spoilers (using SLAB compo­nent module) placed at the end of the electron applicator, was done using previously vali­dated phase space file for a 5 MeV nominal energy and 10×10 cm2 field size (simulation of spoiler). An in-house routine was developed in order to calculate the combined isodose curves re­sulting from the two simulated abutting fields (calculation of dose distribution in abutting electron fields). Results Verification of the developed 5.9 MeV elec­tron beam model was done by comparing the calculated and measured dose distributions. The maximum percentage difference between calculated and measured PDD was 1%, except for the build-up region in which the difference was 2%. The difference between calculated and measured profile was 2% at the edges of the field and less than 1% in other regions. The effect of PMMA, aluminum, titanium and chromium in dose uniformity achievement in abutting normal electron fields with equivalent thicknesses to 5mm PMMA was evaluated. Comparing R90 and uniformity index of different materials, aluminum was chosen as the optimum spoiler. Titanium has the maximum surface dose. Thus, aluminum and titanium had been chosen to use for dose uniformity achievement in oblique electron fields. Using the optimum beam spoiler, junction dose decreased from 160% to 110% for 15 degrees, from 180% to 120% for 30 degrees, from 160% to 120% for 45 degrees and from 180% to 100% for 60 degrees oblique abutting fields. Using Titanium spoiler, junction dose decreased from 160% to 120% for 15 degrees, 180% to 120% for 30 degrees, 160% to 120% for 45 degrees and 180% to 110% for 60 degrees. In addition, penumbra width for 15 degrees, without spoiler in the surface was 10 mm and was increased to 15.5 mm with titanium spoiler. For 30 degrees, from 9 mm to 15 mm, for 45 degrees from 4 mm to 6 mm and for 60 degrees, from 5 mm to 8 mm. Conclusion Using spoilers, penumbra width at the surface increased, size and depth of hot spots was decreased and dose homogeneity improved at the junc­tion of abutting electron fields. Dose at the junction region of abutting oblique fields was improved significantly by using spoiler. Maximum dose at the junction region for 15⁰, 30⁰, 45⁰ and 60⁰ was decreased about 40%, 60%, 40% and 70% respectively for Titanium and about 50%, 60%, 40% and 80% for Aluminum. Considering significantly decrease in maximum dose using titanium spoiler, unfortunately, dose distribution in the junction region was not decreased less than 110%.

Keywords: abutting fields, electron beam, radiation therapy, spoilers

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Authors: Sue-Yi Chen, Wei-Chun Hsu, Jon-Yiew Gan

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Si-based double-junction tandem solar cells have become a popular research topic because of the advantages of low manufacturing cost and high energy conversion efficiency. However, there is no set of calculations to select the appropriate top cell materials. Therefore, this paper will propose a simple but practical selection method. First of all, we calculate the S-Q limit and explain the reasons for developing tandem solar cells. Secondly, we calculate the theoretical energy conversion efficiency of the double-junction tandem solar cells while combining the commercial monocrystalline Si and materials' practical efficiency to consider the actual situation. Finally, we conservatively conclude that if considering 75% performance of the theoretical energy conversion efficiency of the top cell, the suitable bandgap energy range will fall between 1.38eV to 2.5eV. Besides, we also briefly describe some improvements of several proper materials, CZTS, CdSe, Cu2O, ZnTe, and CdS, hoping that future research can select and manufacture high-efficiency Si-based tandem solar cells based on this paper successfully. Most importantly, our calculation method is not limited to silicon solely. If other materials’ performances match or surpass silicon's ability in the future, researchers can also apply this set of deduction processes.

Keywords: high-efficiency solar cells, material selection, Si-based double-junction solar cells, Tandem solar cells, photovoltaics.

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Authors: Ashkan Vatani, Peter Woodfield, Nam-Trung Nguyen, Dzung Dao

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Thermomagnetic convection of a ferrofluid flow induced by the non-uniform magnetic field around a current-carrying wire was theoretically analyzed and experimentally tested. To show this phenomenon, the temperature rise of a hot wire, immersed in DIW and Ferrofluid, as a result of joule heating has been measured using a transient hot-wire technique. When current is applied to the wire, a temperature gradient is imposed on the magnetic fluid resulting in non-uniform magnetic susceptibility of the ferrofluid that results in a non-uniform magnetic body force which makes the ferrofluid flow as a bulk suspension. For the case of the wire immersed in DIW, free convection is the only means of cooling, while for the case of ferrofluid a combination of both free convection and thermomagnetic convection is expected to enhance the heat transfer from the wire beyond that of DIW. Experimental results at different temperatures and for a range of constant currents applied to the wire show that thermomagnetic convection becomes effective for the currents higher than 1.5A at all temperatures. It is observed that the onset of thermomagnetic convection is directly proportional to the current applied to the wire and that the thermomagnetic convection happens much faster than the free convection. Calculations show that a 35% enhancement in heat transfer can be expected for the ferrofluid compared to DIW, for a 3A current applied to the wire.

Keywords: cooling, ferrofluid, thermomagnetic convection, magnetic field

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Authors: Amel Souidi, S. Bentata, B. Bouadjemi, T. Lantri, Z. Aziz

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Perovskite materials which include magnetic elements have relevance due to the technological perspectives in the spintronics industry. In this work, we have investigated the structural, electronic and magnetic properties of double perovskites Ba2MnXO6 with X= Mo and W by using the full-potential linearized augmented plane wave (FP-LAPW) method based on Density Functional Theory (DFT) [1, 2] as implemented in the WIEN2K [3] code. The interchange-correlation potential was included through the generalized gradient approximation (GGA) [4] as well as taking into account the on-site coulomb repulsive interaction in (GGA+U) approach. We have analyzed the structural parameters, charge and spin densities, total and partial densities of states. The results show that the materials crystallize in the 225 space group (Fm-3m) and have a lattice parameter of about 7.97 Å and 7.95 Å for Ba2MnMoO6 and Ba2MnWO6, respectively. The band structures reveal a metallic ferromagnetic (FM) ground state in Ba2MnMoO6 and half-metallic (HM) ferromagnetic (FM) ground state in the Ba2MnWO6 compound, with total magnetic moment equal 2.9951μB (Ba2MnMoO6 ) and 4.0001μB (Ba2MnWO6 ). The GGA+U calculations predict an energy gap in the spin-up bands in Ba2MnWO6. So we estimate that this material with HM-FM nature implies a promising application in spin-electronics technology.

Keywords: double perovskites, electronic structure, first-principles, semiconductors

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Authors: Ali Yasin, Ali Kamran, Muhammad Safdar

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In order to reduce the hefty cost involved in terms of time and project cost, the development and application of advanced numerical tools to address the burn-back analysis problem in solid rocket motor design and development is the need of time. Several advanced numerical schemes have been developed in recent times, but their usage in the design of propellant grain of solid rocket motors is very rare. In this paper, an advanced numerical technique named the Level-Set method has been utilized for the burn-back analysis of star grain to study the effect of geometrical parameters on ballistic performance indicators such as solid loading, neutrality, and sliver percentage. In the level set technique, simple finite difference methods may fail quickly and require more sophisticated non-oscillatory schemes for feasible long-time simulation. For internal ballistic calculations, a simplified equilibrium pressure method is utilized. Preliminary results of the operative conditions, for all the combustion time, of star grain burn-back using level set techniques are compared with published results using CAD technique to test the developed numerical model.

Keywords: solid rocket motor, internal ballistic, level-set technique, star grain

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Authors: Harmel Meriem

Abstract:

The optoelectronic properties and high power conversion efficiency make lead halide perovskites ideal material for solar cell applications. However, the toxic nature of lead and the instability of organic cation are the two key challenges in the emerging perovskite solar cells. To overcome these challenges, we present our study about finding potential alternatives to lead in the form of A2BX6 perovskite using the first principles DFT-based calculations. The highly accurate modified Becke Johnson (mBJ) and hybrid functional (HSE06) have been used to investigate the Main Document Click here to view linked References to optoelectronic and thermoelectric properties of A2PdBr6 (A = K, Rb, and Cs) perovskite. The results indicate that different A-cations in A2PdBr6 can significantly alter their electronic and optical properties. Calculated band structures indicate semiconducting nature, with band gap values of 1.84, 1.53, and 1.54 eV for K2PdBr6, Rb2PdBr6, and Cs2PdBr6, respectively. We find strong optical absorption in the visible region with small effective masses for A2PdBr6. The ideal band gap and optimum light absorption suggest Rb2PdBr6 and Cs2PdBr6 potential candidates for the light absorption layer in perovskite solar cells. Additionally.

Keywords: soler cell, double perovskite, optoelectronic properties, ab-inotio study

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Authors: Y. Chiang, J. R. Wang, J. H. Yang, Y. S. Tseng, C. Shih, S. W. Chen

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Kuosheng nuclear power plant (NPP) is a BWR/6 plant in Taiwan. There is more concern for the safety of Spent Fuel Pools (SFPs) in Taiwan after Fukushima event. In order to estimate the safety of Kuosheng NPP SFP, by using MELCOR2.1 and SNAP, the safety analysis of Kuosheng NPP SFP was performed combined with the mitigation strategy of NEI 06-12 report. There were several steps in this research. First, the Kuosheng NPP SFP models were established by MELCOR2.1/SNAP. Second, the Station Blackout (SBO) analysis of Kuosheng SFP was done by TRACE and MELCOR under the cooling system failure condition. The results showed that the calculations of MELCOR and TRACE were very similar in this case. Second, the mitigation strategy analysis was done with the MELCOR model by following the NEI 06-12 report. The results showed the effectiveness of NEI 06-12 strategy in Kuosheng NPP SFP. Finally, a sensitivity study of SFP quenching was done to check the differences of different water injection time and the phenomena during the quenching. The results showed that if the cladding temperature was over 1600 K, the water injection may have chance to cause the accident more severe with more hydrogen generation. It was because of the oxidation heat and the “Breakaway” effect of the zirconium-water reaction. An animation model built by SNAP was also shown in this study.

Keywords: MELCOR, SNAP, spent fuel pool, quenching

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Authors: Santosh Kumar Suman, Vinod Kumar Giri

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The goal of this paper is to outline a speed controller of a DC motor by choice of a PID parameters utilizing genetic algorithms (GAs), the DC motor is extensively utilized as a part of numerous applications such as steel plants, electric trains, cranes and a great deal more. DC motor could be represented by a nonlinear model when nonlinearities such as attractive dissemination are considered. To provide effective control, nonlinearities and uncertainties in the model must be taken into account in the control design. The DC motor is considered as third order system. Objective of this paper three type of tuning techniques for PID parameter. In this paper, an independently energized DC motor utilizing MATLAB displaying, has been outlined whose velocity might be examined utilizing the Proportional, Integral, Derivative (KP, KI , KD) addition of the PID controller. Since, established controllers PID are neglecting to control the drive when weight parameters be likewise changed. The principle point of this paper is to dissect the execution of optimization techniques viz. The Genetic Algorithm (GA) for improve PID controllers parameters for velocity control of DC motor and list their points of interest over the traditional tuning strategies. The outcomes got from GA calculations were contrasted and that got from traditional technique. It was found that the optimization techniques beat customary tuning practices of ordinary PID controllers.

Keywords: DC motor, PID controller, optimization techniques, genetic algorithm (GA), objective function, IAE

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Authors: Harminder Kaur, Manpreet Kaur, Akanksha Kapila, Reenu

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Schiff base with general formula H₂L was derived from condensation of o-vanillin and 3-nitro-o-phenylenediamine. This Schiff base was used for the synthesis of organotin(IV) complexes with general formula R₂SnL [R=Phenyl or n-octyl] using equimolar quantities. Elemental analysis UV-Vis, FTIR, and multinuclear spectroscopic techniques (¹H, ¹³C, and ¹¹⁹Sn) NMR were carried out for the characterization of the synthesized complexes. These complexes were coloured and soluble in polar solvents. Computational studies have been performed to obtain the details of the geometry and electronic structures of ligand as well as complexes. Geometry of the ligands and complexes have been optimized at the level of Density Functional Theory with B3LYP/6-311G (d,p) and B3LYP/MPW1PW91 respectively followed by vibrational frequency analysis using Gaussian 09. Observed ¹¹⁹Sn NMR chemical shifts of one of the synthesized complexes showed tetrahedral geometry around Tin atom which is also confirmed by DFT. HOMO-LUMO energy distribution was calculated. FTIR, ¹HNMR and ¹³CNMR spectra were also obtained theoretically using DFT. Further IRC calculations were employed to determine the transition state for the reaction and to get the theoretical information about the reaction pathway. Moreover, molecular docking studies can be explored to ensure the anticancer activity of the newly synthesized organotin(IV) complexes.

Keywords: DFT, molecular docking, organotin(IV) complexes, o-vanillin, 3-nitro-o-phenylenediamine

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Authors: Juan Xia, Jiaxu Yan, Ze Xiang Shen

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The tuneable interlayer interactions in two-dimensional (2D) transition metal dichlcogenides (TMDs) offer an exciting platform for exploring new physics and applications by material variety, thickness, stacking sequence, electromagnetic filed, and stress/strain. Compared with the five methods mentioned above, high pressure is a clean and powerful tool to induce dramatic changes in lattice parameters and physical properties for 2D TMD materials. For instance, high pressure can strengthen the van der Waals interactions along c-axis and shorten the covalent bonds in atomic plane, leading to the typical first-order structural transition (2Hc to 2Ha for MoS2), or metallization. In particular, in the case of WTe₂, its unique symmetry endows the significant anisotropy and the corresponding unexpected properties including the giant magnetoresistance, pressure-induced superconductivity and Weyl semimetal states. Upon increasing pressure, the Raman peaks for WTe₂ at ~120 cm⁻¹, are gradually red-shifted and totally suppressed above 10 GPa, attributed to the possible structural instability of orthorhombic Td phase under high pressure and phase transition to a new monoclinic T' phase with inversion symmetry. Distinct electronic structures near Fermi level between the Td and T' phases may pave a feasible way to achieve the Weyl state tuning in one material without doping.

Keywords: 2D TMDs, electronic property, high pressure, first-principles calculations

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Authors: Meriem Harmel, Houari Khachai

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The full potential linearized augmented plane wave (FP-LAPW)method within density functional theory is applied to study, for the first time, the structural and electronic properties of CaFI and to compare them with CaFCl and CaFBr, all compounds belonging to the tetragonal PbFCl structure group with space group P4/nmm. We used the generalized gradient approximation (GGA) based on exchange–correlation energy optimization to calculate the total energy and also the Engel– Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Ground state properties such as the lattice parameters, c/a ratio, bulk modulus, pressure derivative of the bulk modulus and cohesive energy are calculated, as well as the optimized internal parameters, by relaxing the atomic position in the force directions. The variations of the calculated interatomic distances and angles between different atomic bonds are discussed. CaFCl was found to have a direct band gap at whereas CaFBr and BaFI have indirect band gaps. From these computed bands, all three materials are found to be insulators having band gaps of 6.28, 5.46, and 4.50 eV, respectively. We also calculated the valence charge density and the total density of states at equilibrium volume for each compound. The results are in reasonable agreement with the available experimental data.

Keywords: DFT, matlockite, structural properties, electronic structure

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