Search results for: thermomechanical coupled calculations
1468 C₅₉Pd: A Heterogeneous Catalytic Material for Heck Coupling Reaction
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
Procedia PDF Downloads 2251467 Simulation to Detect Virtual Fractional Flow Reserve in Coronary Artery Idealized Models
Authors: Nabila Jaman, K. E. Hoque, S. Sawall, M. Ferdows
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Coronary artery disease (CAD) is one of the most lethal diseases of the cardiovascular diseases. Coronary arteries stenosis and bifurcation angles closely interact for myocardial infarction. We want to use computer-aided design model coupled with computational hemodynamics (CHD) simulation for detecting several types of coronary artery stenosis with different locations in an idealized model for identifying virtual fractional flow reserve (vFFR). The vFFR provides us the information about the severity of stenosis in the computational models. Another goal is that we want to imitate patient-specific computed tomography coronary artery angiography model for constructing our idealized models with different left anterior descending (LAD) and left circumflex (LCx) bifurcation angles. Further, we want to analyze whether the bifurcation angles has an impact on the creation of narrowness in coronary arteries or not. The numerical simulation provides the CHD parameters such as wall shear stress (WSS), velocity magnitude and pressure gradient (PGD) that allow us the information of stenosis condition in the computational domain.Keywords: CAD, CHD, vFFR, bifurcation angles, coronary stenosis
Procedia PDF Downloads 1581466 A Destination Marketing Study on Capitalising on the Cultural Link between Ireland and North America Using Social Media
Authors: Colm Barcoe, Garvan Whelan
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This study examines how a destination marketing organisation can use social media channels to engage the interests of the US and Canadian markets in a way that maximises the number of visits (and revisits) to Ireland. The research reveals how the cultural link between Ireland and North America is exploited through the use of social media strategies. The findings are based on quantitative and qualitative empirical data obtained through a survey of North American holidaymakers in the pre, during and post trip phases coupled with in-depth interviews of 20 industry experts who are responsible for the implementation of relationship marketing strategies for this segment. The qualitative data was analysed using Netnography in order to provide insights into the effectiveness of various social media channels in developing cultural links between Ireland and North American tourists. The findings of this investigation will extend an under-researched body of literature pertaining to Ireland and North America. The empirical evidence of this study will be of value to both academics and industry practitioners.Keywords: Ireland, marketing, North America, relationship, strategies
Procedia PDF Downloads 1841465 Parametric Optimization of Wire Electric Discharge Machining (WEDM) for Aluminium Metal Matrix Composites
Authors: G. Rajyalakhmi, C. Karthik, Gerson Desouza, Rimmie Duraisamy
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In this present work, metal matrix composites with combination of aluminium with (Sic/Al2O3) were fabricated using stir casting technique. The objective of the present work is to optimize the process parameters of Wire Electric Discharge Machining (WEDM) composites. Pulse ON Time, Pulse OFF Time, wire feed and sensitivity are considered as input process parameters with responses Material Removal Rate (MRR), Surface Roughness (SR) for optimization of WEDM process. Taguchi L18 Orthogonal Array (OA) is used for experimentation. Grey Relational Analysis (GRA) is coupled with Taguchi technique for multiple process parameters optimization. ANOVA (Analysis of Variance) is used for finding the impact of process parameters individually. Finally confirmation experiments were carried out to validate the predicted results.Keywords: parametric optimization, particulate reinforced metal matrix composites, Taguchi-grey relational analysis, WEDM
Procedia PDF Downloads 5821464 Steady State Charge Transport in Quantum Dots: Nonequilibrium Green's Function (NEGF) vs. Single Electron Analysis
Authors: Mahesh Koti
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In this paper, we present a quantum transport study of a quantum dot in steady state in the presence of static gate potential. We consider a quantum dot coupled to the two metallic leads. The quantum dot under study is modeled through Anderson Impurity Model (AIM) with hopping parameter modulated through voltage drop between leads and the central dot region. Based on the Landauer's formula derived from Nonequilibrium Green's Function and Single Electron Theory, the essential ingredients of transport properties are revealed. We show that the results out of two approaches closely agree with each other. We demonstrate that Landauer current response derived from single electron approach converges with non-zero interaction through gate potential whereas Landauer current response derived from Nonequilibrium Green's Function (NEGF) hits a pole.Keywords: Anderson impurity model (AIM), nonequilibrium Green's function (NEGF), Landauer's formula, single electron analysis
Procedia PDF Downloads 4731463 The Techno-Pedagogical Pivot: Designing and Implementing a Digital Writing Tool
Authors: Justin D. Olmanson, Katrina S. Kennett, Bill Cope
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In the field of education technology, innovation is often tightly coupled to recent technological inventions and emerging technologies. Despite this, some scholars have argued that using established technologies in new pedagogical or curricular ways recasts them and places them once more under the umbrella of emerging education technologies. In this study, we trace how an innovative education technology design emerged, not from a technological breakthrough, but rather via a techno-pedagogical pivot. We describe the design and impact of a digital writing tool created to scaffold student self-evaluation of academic texts. We theorize about and trace how innovation can also emerge from a pivot, namely how leveraging existing practices in new ways can create pedagogically and experientially innovative learning opportunities. After describing the design of Info Writer, we unpack the results of a study based on an implementation the tool, and then theorize and reflect on the way the design process and study findings suggest that pivoting an existing practice can lead to innovative education technology designs.Keywords: design, education, revision, technology, writing
Procedia PDF Downloads 4611462 Load Maximization of Two-Link Flexible Manipulator Using Suppression Vibration with Piezoelectric Transducer
Authors: Hamidreza Heidari, Abdollah Malmir Nasab
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In this paper, the energy equations of a two-link flexible manipulator were extracted using the Euler-Bernoulli beam hypotheses. Applying Assumed mode and considering some finite degrees of freedom, we could obtain dynamic motions of each manipulator using Euler-Lagrange equations. Using its claws, the robots can carry a certain load with the ached control of vibrations for robot flexible links during the travelling path using the piezoceramics transducer; dynamic load carrying capacity increase. The traveling path of flexible robot claw has been taken from that of equivalent rigid manipulator and coupled; therefore to avoid the role of Euler-Bernoulli beam assumptions and linear strains, material and physical characteristics selection of robot cause deflection of link ends not exceed 5% of link length. To do so, the maximum load carrying capacity of robot is calculated at the horizontal plan. The increasing of robot load carrying capacity with vibration control is 53%.Keywords: flexible link, DLCC, active control vibration, assumed mode method
Procedia PDF Downloads 3991461 Adsorptive Desulfurization of Tire Pyrolytic Oil Using Cu(I)–Y Zeolite via π-Complexation
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
Procedia PDF Downloads 2351460 Effects of Near-Fault Ground Motions on Earthquake-Induced Pounding Response of RC Buildings
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
Procedia PDF Downloads 2631459 A Generalization of Planar Pascal’s Triangle to Polynomial Expansion and Connection with Sierpinski Patterns
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
Procedia PDF Downloads 3681458 Illuminating the Policies Affecting Energy Security in Malaysia’s Electricity Sector
Authors: Hussain Ali Bekhet, Endang Jati Mat Sahid
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For the past few decades, the Malaysian economy has expanded at an impressive pace, whilst, the Malaysian population has registered a relatively high growth rate. These factors had driven the growth of final energy demand. The ballooning energy demand coupled with the country’s limited indigenous energy resources have resulted in an increased of the country’s net import. Therefore, acknowledging the precarious position of the country’s energy self-sufficiency, this study has identified three main concerns regarding energy security, namely; over-dependence on fossil fuel, increasing energy import dependency, and increasing energy consumption per capita. This paper discusses the recent energy demand and supply trends, highlights the policies that are affecting energy security in Malaysia and suggests strategic options towards achieving energy security. The paper suggested that diversifying energy sources, reducing carbon content of energy, efficient utilization of energy and facilitating low-carbon industries could further enhance the effectiveness of the measures as the introduction of policies and initiatives will be more holistic.Keywords: electricity, energy policy, energy security, Malaysia
Procedia PDF Downloads 3071457 Features of Calculating Structures for Frequent Weak Earthquakes
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
Procedia PDF Downloads 911456 N-Type GaN Thinning for Enhancing Light Extraction Efficiency in GaN-Based Thin-Film Flip-Chip Ultraviolet (UV) Light Emitting Diodes (LED)
Authors: Anil Kawan, Soon Jae Yu, Jong Min Park
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GaN-based 365 nm wavelength ultraviolet (UV) light emitting diodes (LED) have various applications: curing, molding, purification, deodorization, and disinfection etc. However, their usage is limited by very low output power, because of the light absorption in the GaN layers. In this study, we demonstrate a method utilizing removal of 365 nm absorption layer buffer GaN and thinning the n-type GaN so as to improve the light extraction efficiency of the GaN-based 365 nm UV LED. The UV flip chip LEDs of chip size 1.3 mm x 1.3 mm were fabricated using GaN epilayers on a sapphire substrate. Via-hole n-type contacts and highly reflective Ag metal were used for efficient light extraction. LED wafer was aligned and bonded to AlN carrier wafer. To improve the extraction efficiency of the flip chip LED, sapphire substrate and absorption layer buffer GaN were removed by using laser lift-off and dry etching, respectively. To further increase the extraction efficiency of the LED, exposed n-type GaN thickness was reduced by using inductively coupled plasma etching.Keywords: extraction efficiency, light emitting diodes, n-GaN thinning, ultraviolet
Procedia PDF Downloads 4271455 Monitoring Energy Reduction through Applying Green Roofs to Residential Buildings in Dubai
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
Procedia PDF Downloads 2991454 Study of Launch Recovery Control Dynamics of Retro Propulsive Reusable Rockets
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
Procedia PDF Downloads 931453 Surface Segregation-Inspired Design for Bimetallic Nanoparticle Catalysts
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
Procedia PDF Downloads 511452 Gold Nanoparticle: Synthesis, Characterization, Clinico-Pathological, Pathological and Bio-Distribution Studies in Rabbits
Authors: M. M. Bashandy, A. R. Ahmed, M. El-Gaffary, Sahar S. Abd El-Rahman
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This study evaluated the acute toxicity and tissue distribution of intravenously administered gold nanoparticles (AuNPs) in male rabbits. Rabbits were exposed to single dose of AuNPs (300 µg/ kg). Toxic effects were assessed via general behavior, hematological parameters, serum biochemical parameters and histopathological examination of various rabbits’ organs. Tissue distribution of AuNPs was evaluated at a dose of 300 µg/ kg in male rabbit. Inductively coupled plasma–mass spectrometry (ICP-MS) was used to determine gold concentrations in tissue samples collected at predetermined time intervals. After one week, AuNPs exerted no obvious acute toxicity in rabbits. However, inflammatory reactions in lung and liver cells were induced in rabbits treated at the300 µg/ kg dose level. The highest gold levels were found in the spleen, followed by liver, lungs and kidneys. These results indicated that AuNPs could be distributed extensively to various tissues in the body, but primarily in the spleen and liver.Keywords: gold nanoparticles, toxicity, pathology, hematology, liver function, kidney function
Procedia PDF Downloads 3361451 Analysis of an Error Estimate for the Asymptotic Solution of the Heat Conduction Problem in a Dilated Pipe
Authors: E. Marušić-Paloka, I. Pažanin, M. Prša
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Subject of this study is the stationary heat conduction problem through a pipe filled with incompressible viscous fluid. In previous work, we observed the existence and uniqueness theorems for the corresponding boundary-value problem and within we have taken into account the effects of the pipe's dilatation due to the temperature of the fluid inside of the pipe. The main difficulty comes from the fact that flow domain changes depending on the solution of the observed heat equation leading to a non-standard coupled governing problem. The goal of this work is to find solution estimate since the exact solution of the studied problem is not possible to determine. We use an asymptotic expansion in order of a small parameter which is presented as a heat expansion coefficient of the pipe's material. Furthermore, an error estimate is provided for the mentioned asymptotic approximation of the solution for inner area of the pipe. Close to the boundary, problem becomes more complex so different approaches are observed, mainly Theory of Perturbations and Separations of Variables. In view of that, error estimate for the whole approximation will be provided with additional software simulations of gotten situation.Keywords: asymptotic analysis, dilated pipe, error estimate, heat conduction
Procedia PDF Downloads 2381450 Vibration Analysis of a Solar Powered UAV
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
Procedia PDF Downloads 5031449 Thermal Performance of Reheat, Regenerative, Inter-Cooled Gas Turbine Cycle
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
Procedia PDF Downloads 3381448 Experimental and Theoretical Approach, Hirshfeld Surface, Reduced Density Gradient, Molecular Docking of a Thiourea Derivative
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
Procedia PDF Downloads 601447 Comparison of Conventional Control and Robust Control on Double-Pipe Heat Exchanger
Authors: Hanan Rizk
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A heat exchanger is a device used to mix liquids having different temperatures. In this case, the temperature control becomes a critical objective. This research work presents the temperature control of the double-pipe heat exchanger (multi-input multi-output (MIMO) system), which is modeled as first-order coupled hyperbolic partial differential equations (PDEs), using conventional and advanced control techniques and develops appropriate robust control strategy to meet stability requirements and performance objectives. We designed a PID controller and H-infinity controller for a heat exchanger (HE) system. Frequency characteristics of sensitivity functions and open-loop and closed-loop time responses are simulated using MATLAB software, and the stability of the system is analyzed using Kalman's test. The simulation results have demonstrated that the H-infinity controller is more efficient than PID in terms of robustness and performance.Keywords: heat exchanger, multi-input multi-output system, MATLAB simulation, partial differential equations, PID controller, robust control
Procedia PDF Downloads 2201446 Numerical Solution of Magneto-Hydrodynamic Flow of a Viscous Fluid in the Presence of Nanoparticles with Fractional Derivatives through a Cylindrical Tube
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
Procedia PDF Downloads 2081445 Modeling of the Cellular Uptake of Rigid Nanoparticles: Investigating the Influence of the Adaptation of the Cell’s Mechanical Properties during Endocytosis
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
Procedia PDF Downloads 2141444 The Ecological Footprint of Tourism in Jalapão/TO/Brazil
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
Procedia PDF Downloads 3271443 Parametric Study of Underground Opening Stability under Uncertainty Conditions
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
Procedia PDF Downloads 701442 Comparison of Titanium and Aluminum Functions as Spoilers for Dose Uniformity Achievement in Abutting Oblique Electron Fields: A Monte Carlo Simulation Study
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
Procedia PDF Downloads 1761441 Practical Evaluation of High-Efficiency Si-based Tandem Solar Cells
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.
Procedia PDF Downloads 1171440 Thermomagnetic Convection of a Ferrofluid in a Non-Uniform Magnetic Field Induced a Current Carrying Wire
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
Procedia PDF Downloads 2641439 Synthesis and Characterization of Polypyrrole-Coated Non-Conducting Cellulosic Substrate and Modified by Copper Oxide
Authors: A. Hamam, D. Oukil, A. Dib, L. Makhloufi
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The aim of this work is to synthesize modified Polypyrrole films (PPy) containing nanoparticles of copper oxides onto a non conducting cellulosic substrate. Firstly, the chemical polymerization of polypyrrole onto cellulosic substrate is carried out using FeCl3 as an oxidant and Pyrrole as monomer. Different parameters were optimized (monomer concentration, duration of the experiment, nature of supporting electrolyte, temperature, etc.) in order to obtain films with different thickness and different morphologies. Thickness and topography of different PPy deposits were estimated by a profilometer apparatus. The electrochemical reactivity of the obtained electrodes were tested by cyclic voltammetry technique (CV) and electrochemical impedance spectroscopy (EIS). Secondly, the modification of the PPy film surface by incorporation of copper oxide nanonoparticles is conducted by applying a galvanostatic procedure from CuCl2 solution. Surface characterization has been carried out using scanning microscope (SEM) coupled with energy dispersive X-ray analysis (EDX), Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD). The analysis showed the presence of the copper oxide nanoparticles (CuO) in the polymer films with dimensions less than 50 nm.Keywords: polypyrrole, modified electrode, cellulosic substrate, copper oxide
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