Search results for: charge transfer complex
8229 Internal Node Stabilization for Voltage Sense Amplifiers in Multi-Channel Systems
Authors: Sanghoon Park, Ki-Jin Kim, Kwang-Ho Ahn
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This paper discusses the undesirable charge transfer by the parasitic capacitances of the input transistors in a voltage sense amplifier. Due to its intrinsic rail-to-rail voltage transition, the input sides are inevitably disturbed. It can possible disturb the stabilities of the reference voltage levels. Moreover, it becomes serious in multi-channel systems by altering them for other channels, and so degrades the linearity of the systems. In order to alleviate the internal node voltage transition, the internal node stabilization technique is proposed by utilizing an additional biasing circuit. It achieves 47% and 43% improvements for node stabilization and input referred disturbance, respectively.Keywords: voltage sense amplifier, voltage transition, node stabilization, biasing circuits
Procedia PDF Downloads 4788228 Effect of Two Radial Fins on Heat Transfer and Flow Structure in a Horizontal Annulus
Authors: Anas El Amraoui, Abdelkhalek Cheddadi, Mohammed Touhami Ouazzani
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Laminar natural convection in a cylindrical annular cavity filled with air and provided with two fins is studied numerically using the discretization of the governing equations with the Centered Finite Difference method based on the Alternating Direction Implicit (ADI) scheme. The fins are attached to the inner cylinder of radius ri (hot wall of temperature Ti). The outer cylinder of radius ro is maintained at a temperature To (To < Ti). Two values of the dimensionless thickness of the fins are considered: 0.015 and 0.203. We consider a low fin height equal to 0.078 and medium fin heights equal to 0.093 and 0.203. The position of the fin is 0.82π and the radius ratio is equal to 2. The effect of Rayleigh number, Ra, on the flow structure and heat transfer is analyzed for a range of Ra from 103 to 104. The results for established flow structures and heat transfer at low height indicate that the flow regime that occurs is unicellular for all Ra and fin thickness; in addition, the heat transfer rate increases with increasing Rayleigh number and is the same for both thicknesses. At median fin heights 0.093 and 0.203, the increase of Rayleigh number leads to transitions of flow structure which correspond to significant variations of the heat transfer. The critical Rayleigh numbers, Rac.app and Rac.disp corresponding to the appearance of the bicellular flow regime and its disappearance, are determined and their influence on the change of heat transfer rate is analyzed.Keywords: natural convection, fins, critical Rayleigh number, heat transfer, fluid flow regime, horizontal annulus
Procedia PDF Downloads 4038227 An Introduction to the Radiation-Thrust Based on Alpha Decay and Spontaneous Fission
Authors: Shiyi He, Yan Xia, Xiaoping Ouyang, Liang Chen, Zhongbing Zhang, Jinlu Ruan
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As the key system of the spacecraft, various propelling system have been developing rapidly, including ion thrust, laser thrust, solar sail and other micro-thrusters. However, there still are some shortages in these systems. The ion thruster requires the high-voltage or magnetic field to accelerate, resulting in extra system, heavy quantity and large volume. The laser thrust now is mostly ground-based and providing pulse thrust, restraint by the station distribution and the capacity of laser. The thrust direction of solar sail is limited to its relative position with the Sun, so it is hard to propel toward the Sun or adjust in the shadow.In this paper, a novel nuclear thruster based on alpha decay and spontaneous fission is proposed and the principle of this radiation-thrust with alpha particle has been expounded. Radioactive materials with different released energy, such as 210Po with 5.4MeV and 238Pu with 5.29MeV, attached to a metal film will provides various thrust among 0.02-5uN/cm2. With this repulsive force, radiation is able to be a power source. With the advantages of low system quantity, high accuracy and long active time, the radiation thrust is promising in the field of space debris removal, orbit control of nano-satellite array and deep space exploration. To do further study, a formula lead to the amplitude and direction of thrust by the released energy and decay coefficient is set up. With the initial formula, the alpha radiation elements with the half life period longer than a hundred days are calculated and listed. As the alpha particles emit continuously, the residual charge in metal film grows and affects the emitting energy distribution of alpha particles. With the residual charge or extra electromagnetic field, the emitting of alpha particles performs differently and is analyzed in this paper. Furthermore, three more complex situations are discussed. Radiation element generating alpha particles with several energies in different intensity, mixture of various radiation elements, and cascaded alpha decay are studied respectively. In combined way, it is more efficient and flexible to adjust the thrust amplitude. The propelling model of the spontaneous fission is similar with the one of alpha decay, which has a more complex angular distribution. A new quasi-sphere space propelling system based on the radiation-thrust has been introduced, as well as the collecting and processing system of excess charge and reaction heat. The energy and spatial angular distribution of emitting alpha particles on unit area and certain propelling system have been studied. As the alpha particles are easily losing energy and self-absorb, the distribution is not the simple stacking of each nuclide. With the change of the amplitude and angel of radiation-thrust, orbital variation strategy on space debris removal is shown and optimized.Keywords: alpha decay, angular distribution, emitting energy, orbital variation, radiation-thruster
Procedia PDF Downloads 2068226 An Ab Initio Molecular Orbital Theory and Density Functional Theory Study of Fluorous 1,3-Dion Compounds
Authors: S. Ghammamy, M. Mirzaabdollahiha
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Quantum mechanical calculations of energies, geometries, and vibrational wavenumbers of fluorous 1,3-dion compounds are carried out using density functional theory (DFT/B3LYP) method with LANL2DZ basis sets. The calculated HOMO and LUMO energies show that charge transfer occurs in the molecules. The thermodynamic functions of fluorous 1,3-dion compounds have been performed at B3LYP/LANL2DZ basis sets. The theoretical spectrograms for F NMR spectra of fluorous 1,3-dion compounds have also been constructed. The F NMR nuclear shieldings of fluoride ligands in fluorous 1,3-dion compounds have been studied quantum chemical.Keywords: density function theory, natural bond orbital, HOMO, LOMO, fluorous
Procedia PDF Downloads 3898225 Heat Transfer Augmentation in a Channel with Delta Winglet Type Vortex Generators at Different Blade Angles
Authors: Nirmal Kant Singh, Anshuman Pratap Singh
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In this study the augmentation of heat transfer in a channel with delta winglet type vortex generators is evaluated. Three-dimensional numerical simulations are performed in a rectangular channel with longitudinal triangular vortex generators (LVGs). The span wise averaged Nusselt number and mean temperature are compared with and without vortex generators in the channel. The effect of variation of blade angle (15°, 30°, 45°, and 60°) is studied at a Reynolds number of 10000. The numerical results indicate that the application of LVGs effectively enhances heat transfer in the channel. The Nusselt number and mean outlet temperature were found to be greater using LVGs than in the channel without LVGs. It is observed that heat transfer increases with increase in blade angle at the same Reynolds number.Keywords: heat transfer, rectangular channel, longitudinal vortex generators, effect of blade angle
Procedia PDF Downloads 6448224 Theoretical Study of the Photophysical Properties and Potential Use of Pseudo-Hemi-Indigo Derivatives as Molecular Logic Gates
Authors: Christina Eleftheria Tzeliou, Demeter Tzeli
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Introduction: Molecular Logic Gates (MLGs) are molecular machines that can perform complex work, such as solving logic operations. Molecular switches, which are molecules that can experience chemical changes are examples of successful types of MLGs. Recently, Quintana-Romero and Ariza-Castolo studied experimentally six stable pseudo-hemi-indigo-derived MLGs capable of solving complex logic operations. The MLG design relies on a molecular switch that experiences Z and E isomerism, thus the molecular switch's axis has to be a double bond. The hemi-indigo structure was preferred for the assembly of molecular switches due to its interaction with visible light. Z and E pseudo-hemi-indigo isomers can also be utilized for selective isomerization as they have distinct absorption spectra. Methodology: Here, the photophysical properties of pseudo-hemi-indigo derivatives are examined, i.e., derivatives of molecule 1 with anthracene, naphthalene, phenanthrene, pyrene, and pyrrole. In conjunction with some trials that were conducted, the level of theory mentioned subsequently was determined. The structures under study were optimized in both cis and trans conformations at the PBE0/6-31G(d,p) level of theory. The absorption spectra of the structures were calculated at PBE0/DEF2TZVP. In all cases, the absorption spectra of the studied systems were calculated including up to 50 singlet- and triplet-spin excited electronic states. Transition states (cis → cis, cis → trans, and trans → trans) were obtained in cases where it was possible, with PBE0/6-31G(d,p) for the optimization of the transition states and PBE0/DEF2TZVP for the respective absorption spectra. Emission spectra were obtained for the first singlet state of each molecule in cis both and trans conformations in PBE0/DEF2TZVP as well. All studies were performed in chloroform solvent that was added as a dielectric constant and the polarizable continuum model was also employed. Findings: Shifts of up to 25 nm are observed in the absorption spectra due to cis-trans isomerization, while the transition state is shifted up to about 150 nm. The electron density distribution is also examined, where charge transfer and electron transfer phenomena are observed regarding the three excitations of interest, i.e., H-1 → L, H → L and H → L+1. Emission spectra calculations were also carried out at PBE0/DEF2TZVP for the complete investigation of these molecules. Using protonation as input, selected molecules act as MLGs. Conclusion: Theoretical data so far indicate that both cis-trans isomerization, and cis-cis and trans-trans conformer isomerization affect the UV-visible absorption and emission spectra. Specifically, shifts of up to 30 nm are observed, while the transition state is shifted up to about 150 nm in cis-cis isomerization. The computational data obtained are in agreement with available experimental data, which have predicted that the pyrrole derivative is a MLG at 445 nm and 400 nm using protonation as input, while the anthracene derivative is a MLG that operates at 445 nm using protonation as input. Finally, it was found that selected molecules are candidates as MLG using protonation and light as inputs. These MLGs could be used as chemical sensors or as particular intracellular indicators, among several other applications. Acknowledgements: The author acknowledges the Hellenic Foundation for Research and Innovation for the financial support of this project (Fellowship Number: 21006).Keywords: absorption spectra, DFT calculations, isomerization, molecular logic gates
Procedia PDF Downloads 208223 Electrochemical Study of Al-Doped K₂CO₃ Activated Coconut Husk Carbon-Based Composite Anode Material for Battery Applications
Authors: Alpha Matthew
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The Composites of Al-Doped K₂CO₃ activated coconut husk carbon, Al₀.₁:(K₂CO₃C)₀.₉ and AI₀.₃:(K₂CO₃C)₀.₇, were prepared using the hydrothermal method and drop casting deposition technique. The electrochemical performance of the Al-doped K₂CO₃ activated coconut husk carbon composite as a promising anode material for lithium-ion batteries was characterised by cyclic voltammetry analysis, electrochemical impedance spectroscopy, and galvanostatic charge discharge analysis. The charges that are retained in the anode material during charging showed a linear decline in charge capacity as the charging current intensity increased. Ionic polarisation was the reason for the observed drop in the charge and discharge capabilities at the current density of 5 A/g. Having greater specific capacitance and energy density, the composite Al₀.₁:(K₂CO₃C)₀.₉ is a better anode material for electrochemical applications compared to AI₀.₃:(K₂CO₃C)₀.₇, also its comparatively higher power density at a scan rate of 5 mV/s is mostly explained by its lower equivalent series resistance.Keywords: coconut carbon husk, power density, energy density, battery, anode electrode
Procedia PDF Downloads 228222 Estimation of State of Charge, State of Health and Power Status for the Li-Ion Battery On-Board Vehicle
Authors: S. Sabatino, V. Calderaro, V. Galdi, G. Graber, L. Ippolito
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Climate change is a rapidly growing global threat caused mainly by increased emissions of carbon dioxide (CO₂) into the atmosphere. These emissions come from multiple sources, including industry, power generation, and the transport sector. The need to tackle climate change and reduce CO₂ emissions is indisputable. A crucial solution to achieving decarbonization in the transport sector is the adoption of electric vehicles (EVs). These vehicles use lithium (Li-Ion) batteries as an energy source, making them extremely efficient and with low direct emissions. However, Li-Ion batteries are not without problems, including the risk of overheating and performance degradation. To ensure its safety and longevity, it is essential to use a battery management system (BMS). The BMS constantly monitors battery status, adjusts temperature and cell balance, ensuring optimal performance and preventing dangerous situations. From the monitoring carried out, it is also able to optimally manage the battery to increase its life. Among the parameters monitored by the BMS, the main ones are State of Charge (SoC), State of Health (SoH), and State of Power (SoP). The evaluation of these parameters can be carried out in two ways: offline, using benchtop batteries tested in the laboratory, or online, using batteries installed in moving vehicles. Online estimation is the preferred approach, as it relies on capturing real-time data from batteries while operating in real-life situations, such as in everyday EV use. Actual battery usage conditions are highly variable. Moving vehicles are exposed to a wide range of factors, including temperature variations, different driving styles, and complex charge/discharge cycles. This variability is difficult to replicate in a controlled laboratory environment and can greatly affect performance and battery life. Online estimation captures this variety of conditions, providing a more accurate assessment of battery behavior in real-world situations. In this article, a hybrid approach based on a neural network and a statistical method for real-time estimation of SoC, SoH, and SoP parameters of interest is proposed. These parameters are estimated from the analysis of a one-day driving profile of an electric vehicle, assumed to be divided into the following four phases: (i) Partial discharge (SoC 100% - SoC 50%), (ii) Partial discharge (SoC 50% - SoC 80%), (iii) Deep Discharge (SoC 80% - SoC 30%) (iv) Full charge (SoC 30% - SoC 100%). The neural network predicts the values of ohmic resistance and incremental capacity, while the statistical method is used to estimate the parameters of interest. This reduces the complexity of the model and improves its prediction accuracy. The effectiveness of the proposed model is evaluated by analyzing its performance in terms of square mean error (RMSE) and percentage error (MAPE) and comparing it with the reference method found in the literature.Keywords: electric vehicle, Li-Ion battery, BMS, state-of-charge, state-of-health, state-of-power, artificial neural networks
Procedia PDF Downloads 678221 Numerical Simulation of Structured Roughness Effect on Fluid Flow Characteristics and Heat Transfer in Minichannels
Authors: R. Chouatah, E. G. Filali, B. Zouzou
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It has been well established that there are no differences between microscale and macroscale flows of incompressible liquids. However, surface roughness has been known to impact the transport phenomena. The effect of structured roughness on the dynamics and heat transfer of water flowing through minichannel was numerically investigated in this study. Our study consists in characterizing the dynamic field and heat transfer aspect of a flow in circular minichannel equipped with structured roughness using CFD software, CFX. The study is performed to understand the effect of various roughness elements (rectangular, triangular), roughness height and roughness pitch on the friction factor and heat transfer coefficient. Our work focuses on a water flow inside a circular mini-channel of 1 mm in diameter and 10 cm in length. The speed entry into the mini-channel varies from 0.1 m/s to 25 m/s. The wall of the mini-channel is submitted to a constant heat flux; q=100,000 W/m². The simulations results are compared to those obtained with smooth minichannel and the existing experimental and numerical results in the literature.Keywords: heat transfer, laminar and turbulent flow, minichannel, structured roughness
Procedia PDF Downloads 3428220 Graphene Materials for Efficient Hybrid Solar Cells: A Spectroscopic Investigation
Authors: Mohammed Khenfouch, Fokotsa V. Molefe, Bakang M. Mothudi
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Nowadays, graphene and its composites are universally known as promising materials. They show their potential in a large field of applications including photovoltaics. This study reports on the role of nanohybrids and nanosystems known as strong light harvesters in the efficiency of graphene hybrid solar cells. Our system included Graphene/ZnO/Porphyrin/P3HT layers. Moreover, the physical properties including surface/interface, optical and vibrational properties were also studied. Our investigations confirmed the interaction between the different components as well as the sensitivity of their photonics to the synthesis conditions. Remarkable energy and charge transfer were detected and deeply investigated. Hence, the optimization of the conditions will lead to the fabrication of higher conversion efficiency in graphene solar cells.Keywords: graphene, optoelectronics, nanohybrids, solar cells
Procedia PDF Downloads 1688219 Nanocomposites Based Micro/Nano Electro-Mechanical Systems for Energy Harvesters and Photodetectors
Authors: Radhamanohar Aepuru, R. V. Mangalaraja
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Flexible electronic devices have drawn potential interest and provide significant new insights to develop energy conversion and storage devices such as photodetectors and nanogenerators. Recently, self-powered electronic systems have captivated huge attention for next generation MEMS/NEMS devices that can operate independently by generating built-in field without any need of external bias voltage and have wide variety of applications in telecommunication, imaging, environmental and defence sectors. The basic physical process involved in these devices are charge generation, separation, and charge flow across the electrodes. Many inorganic nanostructures have been exploring to fabricate various optoelectronic and electromechanical devices. However, the interaction of nanostructures and their excited charge carrier dynamics, photoinduced charge separation, and fast carrier mobility are yet to be studied. The proposed research is to address one such area and to realize the self-powered electronic devices. In the present work, nanocomposites of inorganic nanostructures based on ZnO, metal halide perovskites; and polyvinylidene fluoride (PVDF) based nanocomposites are realized for photodetectors and nanogenerators. The characterization of the inorganic nanostructures is carried out through steady state optical absorption and luminescence spectroscopies as well as X-ray diffraction and high-resolution transmission electron microscopy (TEM) studies. The detailed carrier dynamics is investigated using various spectroscopic techniques. The developed composite nanostructures exhibit significant optical and electrical properties, which have wide potential applications in various MEMS/NEMS devices such as photodetectors and nanogenerators.Keywords: dielectrics, nanocomposites, nanogenerators, photodetectors
Procedia PDF Downloads 1298218 Flow Prediction of Boundary Shear Stress with Enlarging Flood Plains
Authors: Spandan Sahu, Amiya Kumar Pati, Kishanjit Kumar Khatua
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River is our main source of water which is a form of open channel flow and the flow in open channel provides with many complex phenomenon of sciences that needs to be tackled such as the critical flow conditions, boundary shear stress and depth averaged velocity. During floods, part of a river is carried by the simple main channel and rest is carried by flood plains. For such compound asymmetric channels, the flow structure becomes complicated due to momentum exchange between main channel and adjoining flood plains. Distribution of boundary shear in subsections provides us with the concept of momentum transfer between the interface of main channel and the flood plains. Experimentally, to get better data with accurate results are very complex because of the complexity of the problem. Hence, CES software has been used to tackle the complex processes to determine the shear stresses at different sections of an open channel having asymmetric flood plains on both sides of the main channel and the results is compared with the symmetric flood plains for various geometrical shapes and flow conditions. Error analysis is also performed to know the degree of accuracy of the model implemented.Keywords: depth average velocity, non prismatic compound channel, relative flow depth, velocity distribution
Procedia PDF Downloads 1528217 Chebyshev Collocation Method for Solving Heat Transfer Analysis for Squeezing Flow of Nanofluid in Parallel Disks
Authors: Mustapha Rilwan Adewale, Salau Ayobami Muhammed
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This study focuses on the heat transfer analysis of magneto-hydrodynamics (MHD) squeezing flow between parallel disks, considering a viscous incompressible fluid. The upper disk exhibits both upward and downward motion, while the lower disk remains stationary but permeable. By employing similarity transformations, a system of nonlinear ordinary differential equations is derived to describe the flow behavior. To solve this system, a numerical approach, namely the Chebyshev collocation method, is utilized. The study investigates the influence of flow parameters and compares the obtained results with existing literature. The significance of this research lies in understanding the heat transfer characteristics of MHD squeezing flow, which has practical implications in various engineering and industrial applications. By employing the similarity transformations, the complex governing equations are simplified into a system of nonlinear ordinary differential equations, facilitating the analysis of the flow behavior. To obtain numerical solutions for the system, the Chebyshev collocation method is implemented. This approach provides accurate approximations for the nonlinear equations, enabling efficient computations of the heat transfer properties. The obtained results are compared with existing literature, establishing the validity and consistency of the numerical approach. The study's major findings shed light on the influence of flow parameters on the heat transfer characteristics of the squeezing flow. The analysis reveals the impact of parameters such as magnetic field strength, disk motion amplitude, fluid viscosity on the heat transfer rate between the disks, the squeeze number(S), suction/injection parameter(A), Hartman number(M), Prandtl number(Pr), modified Eckert number(Ec), and the dimensionless length(δ). These findings contribute to a comprehensive understanding of the system's behavior and provide insights for optimizing heat transfer processes in similar configurations. In conclusion, this study presents a thorough heat transfer analysis of magneto-hydrodynamics squeezing flow between parallel disks. The numerical solutions obtained through the Chebyshev collocation method demonstrate the feasibility and accuracy of the approach. The investigation of flow parameters highlights their influence on heat transfer, contributing to the existing knowledge in this field. The agreement of the results with previous literature further strengthens the reliability of the findings. These outcomes have practical implications for engineering applications and pave the way for further research in related areas.Keywords: squeezing flow, magneto-hydro-dynamics (MHD), chebyshev collocation method(CCA), parallel manifolds, finite difference method (FDM)
Procedia PDF Downloads 758216 Using Wiki for Enhancing the Knowledge Transfer to Newcomers: An Experience Report
Authors: Hualter Oliveira Barbosa, Raquel Feitosa do Vale Cunha, Erika Muniz dos Santos, Fernanda Belmira Souza, Fabio Sousa, Luis Henrique Pascareli, Franciney de Oliveira Lima, Ana Cláudia Reis da Silva, Christiane Moreira de Almeida
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Software development is intrinsic human-based knowledge-intensive. Due to globalization, software development has become a complex challenge and we usually face barriers related to knowledge management, team building, costly testing processes, especially in distributed settings. For this reason, several approaches have been proposed to minimize barriers caused by geographic distance. In this paper, we present as we use experimental studies to improve our knowledge management process using the Wiki system. According to the results, it was possible to identify learning preferences from our software projects leader team, organize and improve the learning experience of our Wiki and; facilitate collaboration by newcomers to improve Wiki with new contents available in the Wiki.Keywords: mobile product, knowledge transfer, knowledge management process, wiki, GSD
Procedia PDF Downloads 1758215 Project Management and International Development: Competencies for International Assignment
Authors: M. P. Leroux, C. Coulombe
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Projects are popular vehicles through which international aid is delivered in developing countries. To achieve their objectives, many northern organizations develop projects with local partner organizations in the developing countries through technical assistance projects. International aid and international development projects precisely have long been criticized for poor results although billions are spent every year. Little empirical research in the field of project management has the focus on knowledge transfer in international development context. This paper focuses particularly on personal dimensions of international assignees participating in project within local team members in the host country. We propose to explore the possible links with a human resource management perspective in order to shed light on the less research problematic of knowledge transfer in development cooperation projects. The process leading to capacity building being far complex, involving multiple dimensions and far from being linear, we propose here to assess if traditional research on expatriate in multinational corporations pertain to the field of project management in developing countries. The following question is addressed: in the context of international development project cooperation, what personal determinants should the selection process focus when looking to fill a technical assistance position in a developing country? To answer that question, we first reviewed the literature on expatriate in the context of inter organizational knowledge transfer. Second, we proposed a theoretical framework combining perspectives of development studies and management to explore if parallels can be draw between traditional international assignment and technical assistance project assignment in developing countries. We conducted an exploratory study using case studies from technical assistance initiatives led in Haiti, a country in Central America. Data were collected from multiple sources following qualitative study research methods. Direct observations in the field were allowed by local leaders of six organization; individual interviews with present and past international assignees, individual interview with local team members, and focus groups were organized in order to triangulate information collected. Contrary from empirical research on knowledge transfer in multinational corporations, results tend to show that technical expertise rank well behind many others characteristics. Results tend to show the importance of soft skills, as a prerequisite to succeed in projects where local team have to collaborate. More importantly, international assignees who were talking knowledge sharing instead of knowledge transfer seemed to feel more satisfied at the end of their mandate than the others. Reciprocally, local team members who perceived to have participated in a project with an expat looking to share instead of aiming to transfer knowledge seemed to describe the results of project in more positive terms than the others. Results obtained from this exploratory study open the way for a promising research agenda in the field of project management. It emphasises the urgent need to achieve a better understanding on the complex set of soft skills project managers or project chiefs would benefit to develop, in particular, the ability to absorb knowledge and the willingness to share one’s knowledge.Keywords: international assignee, international project cooperation, knowledge transfer, soft skills
Procedia PDF Downloads 1428214 Analyzing and Predicting the CL-20 Detonation Reaction Mechanism Based on Artificial Intelligence Algorithm
Authors: Kaining Zhang, Lang Chen, Danyang Liu, Jianying Lu, Kun Yang, Junying Wu
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In order to solve the problem of a large amount of simulation and limited simulation scale in the first-principle molecular dynamics simulation of energetic material detonation reaction, we established an artificial intelligence model for analyzing and predicting the detonation reaction mechanism of CL-20 based on the first-principle molecular dynamics simulation of the multiscale shock technique (MSST). We employed principal component analysis to identify the dominant charge features governing molecular reactions. We adopted the K-means clustering algorithm to cluster the reaction paths and screen out the key reactions. We introduced the neural network algorithm to construct the mapping relationship between the charge characteristics of the molecular structure and the key reaction characteristics so as to establish a calculation method for predicting detonation reactions based on the charge characteristics of CL-20 and realize the rapid analysis of the reaction mechanism of energetic materials.Keywords: energetic material detonation reaction, first-principle molecular dynamics simulation of multiscale shock technique, neural network, CL-20
Procedia PDF Downloads 1138213 Theoretical Evaluation of the Effect of Solvent on the Feasibility of the Reaction of 2-Chlorobenzimidazole With Four N,N′-Cyclic Azomethine Imines to Construct Polycyclic Benzimidazoles
Authors: Mohamed Abdoul-Hakim, A. Zeroual, H. Garmes
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In this work, we theoretically evaluated the reactivity of four 4-methyl-3-oxo-1,2-pyrazolidinium ylides with 2-Chlorobenzimidazole in MeOH in basic medium using DFT at the B3LYP/6-311+G(d,p) level. The analysis of the results shows that apart from its ability to retain its electrons, the deprotonated 2-Chlorobenzimidazole has a higher nucleophilic character. The reaction requires energy input to initiate the nucleophilic attack of the 2-Chlorobenzimidazole anion, and the inclusion of the solvent effect facilitates the formation of two regioisomers via an intramolecular vinyl nucleophilic substitution (SNVi). The transition states of this latter step are stabilized by charge transfer interactions σ(N-C) →σ*(C-Cl) for the more favorable regioisomer and n(N)→σ*(C-Cl) for the other regioisomer.Keywords: benzonitrile N-oxide, DFT, intramolecular vinyl nucleophilic substitution (SNVi), 4-methyl-3-OXO-1, 2-pyrazolidinium ylides
Procedia PDF Downloads 1398212 A Simple Heat and Mass Transfer Model for Salt Gradient Solar Ponds
Authors: Safwan Kanan, Jonathan Dewsbury, Gregory Lane-Serff
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A salinity gradient solar pond is a free energy source system for collecting, converting and storing solar energy as heat. In this paper, the principles of solar pond are explained. A mathematical model is developed to describe and simulate heat and mass transfer behavior of salinity gradient solar pond. Matlab codes are programmed to solve the one dimensional finite difference method for heat and mass transfer equations. Temperature profiles and concentration distributions are calculated. The numerical results are validated with experimental data and the results are found to be in good agreement.Keywords: finite difference method, salt-gradient solar-pond, solar energy, transient heat and mass transfer
Procedia PDF Downloads 3718211 Numerical Study of Heat Transfer and Laminar Flow over a Backward Facing Step with and without Obstacle
Authors: Hussein Togun, Tuqa Abdulrazzaq, S. N. Kazi, A. Badarudin, M. K. A. Ariffin, M. N. M. Zubir
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Heat transfer and laminar fluid flow over backward facing step with and without obstacle numerically studied in this paper. The finite volume method adopted to solve continuity, momentum and energy equations in two dimensions. Backward facing step without obstacle and with different dimension of obstacle were presented. The step height and expansion ratio of channel were 4.8mm and 2 respectively, the range of Reynolds number varied from 75 to 225, constant heat flux subjected on downstream of wall was 2000W/m2, and length of obstacle was 1.5, 3, and 4.5mm with width 1.5mm. The separation length noticed increase with increase Reynolds number and height of obstacle. The result shows increase of heat transfer coefficient for backward facing step with obstacle in compared to those without obstacle. The maximum enhancement of heat transfer observed at 4.5mm of height obstacle due to increase recirculation flow after the obstacle in addition that at backward. Streamline of velocity showing the increase of recirculation region with used obstacle in compared without obstacle and highest recirculation region observed at obstacle height 4.5mm. The amount of enhancement heat transfer was varied between 3-5% compared to backward without obstacle.Keywords: separation flow, backward facing step, heat transfer, laminar flow
Procedia PDF Downloads 4688210 Flow and Heat Transfer over a Shrinking Sheet: A Stability Analysis
Authors: Anuar Ishak
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The characteristics of fluid flow and heat transfer over a permeable shrinking sheet is studied. The governing partial differential equations are transformed into a set of ordinary differential equations, which are then solved numerically using MATLAB routine boundary value problem solver bvp4c. Numerical results show that dual solutions are possible for a certain range of the suction parameter. A stability analysis is performed to determine which solution is linearly stable and physically realizable.Keywords: dual solutions, heat transfer, shrinking sheet, stability analysis
Procedia PDF Downloads 4218209 Numerical Study on Enhancement of Heat Transfer by Turbulence
Authors: Muhammad Azmain Abdullah, Ar Rashedul, Mohammad Ali
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This paper scrutinizes the influences of turbulence on heat transport rate, Nusselt number. The subject matter of this investigation also deals with the improvement of heat transfer efficiency of the swirl flow obtained by rotating a twisted tape in a circular pipe. The conditions to be fulfilled to observe the impact of Reynolds number and rotational speed of twisted tape are: a uniform temperature on the outer surface of the pipe, the magnitude of velocity of water varying from 0.1 m/s to 0.7 m/s in order to alter Reynolds number and a rotational speed of 200 rpm to 600 rpm. The gyration of twisted tape increase by 17%. It is also observed that heat transfer is exactly proportional to inlet gauge pressure and reciprocally proportional to increase of twist ratio.Keywords: swirl flow, twisted tape, twist ratio, heat transfer
Procedia PDF Downloads 2618208 Selection of Developmental Stages of Bovine in vitro-Derived Blastocysts Prior to Vitrification and Embryo Transfer: Implications for Cattle Breeding Programs
Authors: Van Huong Do, Simon Walton, German Amaya, Madeline Batsiokis, Sally Catt, Andrew Taylor-Robinson
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Identification of the most suitable stages of bovine in vitro-derived blastocysts (early, expanded and hatching) prior to vitrification is a straightforward process that facilitates the decision as to which blastocyst stage to use for transfer of fresh and vitrified embryos. Research on in vitro evaluation of suitable stages has shown that the more advanced developmental stage of blastocysts is recommended for fresh embryo transfer while the earlier stage is proposed for embryo transfer following vitrification. There is, however, limited information on blastocyst stages using in vivo assessment. Hence, the aim of the present study was to determine the optimal stage of a blastocyst for vitrification and embryo transfer through a two-step procedure of embryo transfer followed by pregnancy testing at 35, 60 and 90 days of pregnancy. 410 good quality oocytes aspirated by the ovum pick-up technique from 8 donor cows were subjected to in vitro embryo production, vitrification and embryo transfer. Good quality embryos were selected, subjected to vitrification and embryo transfer. Subsequently, 77 vitrified embryos at different blastocyst stages were transferred to synchronised recipient cows. The overall cleavage and blastocyst rates of oocytes were 68.8% and 41.7%, respectively. In addition, the fertility and blastocyst production of 6 bulls used for in vitro fertilization was examined and shown to be statistically different (P<0.05). Results of ongoing pregnancy trials conducted at 35 days, 60 days and 90 days will be discussed. However, preliminary data indicate that individual bulls demonstrate distinctly different fertility performance in vitro. Findings from conception rates would provide a useful tool to aid selection of bovine in vitro-derived embryos for vitrification and embryo transfer in commercial settings.Keywords: blastocyst, embryo transfer, in vitro-derived embryos, ovum pick-up, vitrification
Procedia PDF Downloads 3068207 ATC in Competitive Electricity Market Using TCSC
Authors: S. K. Gupta, Richa Bansal
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In a deregulated power system structure, power producers, and customers share a common transmission network for wheeling power from the point of generation to the point of consumption. All parties in this open access environment may try to purchase the energy from the cheaper source for greater profit margins, which may lead to overloading and congestion of certain corridors of the transmission network. This may result in violation of line flow, voltage and stability limits and thereby undermine the system security. Utilities therefore need to determine adequately their Available Transfer Capability (ATC) to ensure that system reliability is maintained while serving a wide range of bilateral and multilateral transactions. This paper presents power transfer distribution factor based on AC load flow for the determination and enhancement of ATC. The study has been carried out for IEEE 24 bus Reliability Test System.Keywords: available transfer capability, FACTS devices, power transfer distribution factors, electric
Procedia PDF Downloads 4978206 Electrochemical Sensing of L-Histidine Based on Fullerene-C60 Mediated Gold Nanocomposite
Authors: Sanjeeb Sutradhar, Archita Patnaik
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Histidine is one of the twenty-two naturally occurring essential amino acids exhibiting two conformations, L-histidine and D-histidine. D-Histidine is biologically inert, while L-histidine is bioactive because of its conversion to neurotransmitter or neuromodulator histamine in both brain as well as central nervous system. The deficiency of L-histidine causes serious diseases like Parkinson’s disease, epilepsy and the failure of normal erythropoiesis development. Gold nanocomposites are attractive materials due to their excellent biocompatibility and are easy to adsorb on the electrode surface. In the present investigation, hydrophobic fullerene-C60 was functionalized with homocysteine via nucleophilic addition reaction to make it hydrophilic and to successively make the nanocomposite with in-situ prepared gold nanoparticles with ascorbic acid as reducing agent. The electronic structure calculations of the AuNPs@Hcys-C60 nanocomposite showed a drastic reduction of HOMO-LUMO gap compared to the corresponding molecules of interest, indicating enhanced electron transportability to the electrode surface. In addition, the electrostatic potential map of the nanocomposite showed the charge was distributed over either end of the nanocomposite, evidencing faster direct electron transfer from nanocomposite to the electrode surface. This nanocomposite showed catalytic activity; the nanocomposite modified glassy carbon electrode showed a tenfold higher kₑt, the electron transfer rate constant than the bare glassy carbon electrode. Significant improvement in its sensing behavior by square wave voltammetry was noted.Keywords: fullerene-C60, gold nanocomposites, L-Histidine, square wave voltammetry
Procedia PDF Downloads 2508205 Stabilization Technique for Multi-Inputs Voltage Sense Amplifiers in Node Sharing Converters
Authors: Sanghoon Park, Ki-Jin Kim, Kwang-Ho Ahn
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This paper discusses the undesirable charge transfer through the parasitic capacitances of the input transistors in a multi-inputs voltage sense amplifier. Its intrinsic rail-to-rail voltage transitions at the output nodes inevitably disturb the input sides through the capacitive coupling between the outputs and inputs. Then, it can possible degrade the stabilities of the reference voltage levels. Moreover, it becomes more serious in multi-channel systems by altering them for other channels, and so degrades the linearity of the overall systems. In order to alleviate the internal node voltage transition, the internal node stabilization techniques are proposed. It achieves 45% and 40% improvements for node stabilization and input referred disturbance, respectively.Keywords: voltage sense amplifier, multi-inputs, voltage transition, node stabilization, biasing circuits
Procedia PDF Downloads 5648204 Effects of Variable Viscosity on Radiative MHD Flow in a Porous Medium Between Twovertical Wavy Walls
Authors: A. B. Disu, M. S. Dada
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This study was conducted to investigate two dimensional heat transfer of a free convective-radiative MHD (Magneto-hydrodynamics) flow with temperature dependent viscosity and heat source of a viscous incompressible fluid in a porous medium between two vertical wavy walls. The fluid viscosity is assumed to vary as an exponential function of temperature. The flow is assumed to consist of a mean part and a perturbed part. The perturbed quantities were expressed in terms of complex exponential series of plane wave equation. The resultant differential equations were solved by Differential Transform Method (DTM). The numerical computations were presented graphically to show the salient features of the fluid flow and heat transfer characteristics. The skin friction and Nusselt number were also analyzed for various governing parameters.Keywords: differential transform method, MHD free convection, porous medium, two dimensional radiation, two wavy walls
Procedia PDF Downloads 4478203 Flow Boiling Heat Transfer at Low Mass and Heat Fluxes: Heat Transfer Coefficient, Flow Pattern Analysis and Correlation Assessment
Authors: Ernest Gyan Bediako, Petra Dancova, Tomas Vit
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Flow boiling heat transfer remains an important area of research due to its relevance in thermal management systems and other applications. Despite the enormous work done in the field of flow boiling heat transfer over the years to understand how flow parameters such as mass flux, heat flux, saturation conditions and tube geometries influence the characteristics of flow boiling heat transfer, there are still many contradictions and lack of agreement on the actual mechanisms controlling heat transfer and how flow parameters impact the heat transfer. This work thus seeks to experimentally investigate the heat transfer characteristics and flow patterns at low mass fluxes, low heat fluxes and low saturation pressure conditions which are of less attention in literature but prevalent in refrigeration, air-conditioning and heat pump applications. In this study, flow boiling experiment was conducted for R134a working fluid in a 5 mm internal diameter stainless steel horizontal smooth tube with mass flux ranging from 80- 100 kg/m2 s, heat fluxes ranging from 3.55kW/m2 - 25.23 kW/m2 and saturation pressure of 460 kPa. Vapor quality ranged from 0 to 1. A well-known flow pattern map created by Wojtan et al. was used to predict the flow patterns noticed during the study. The experimental results were correlated with well-known flow boiling heat transfer correlations in literature. The findings show that, heat transfer coefficient was influenced by both mass flux and heat fluxes. However, for an increasing heat flux, nucleate boiling was observed to be the dominant mechanism controlling the heat transfer especially at low vapor quality region. For an increasing mass flux, convective boiling was the dominant mechanism controlling the heat transfer especially in the high vapor quality region. Also, the study observed an unusual high heat transfer coefficient at low vapor qualities which could be due to periodic wetting of the walls of the tube due to slug flow pattern and stratified wavy flow patterns. The flow patterns predicted by Wojtan et al. flow pattern map were mixture of slug and stratified wavy, purely stratified wavy and dry out. Statistical assessment of the experimental data with various well-known correlations from literature showed that, none of the correlations reported in literature could predicted the experimental data with enough accuracy.Keywords: flow boiling, heat transfer coefficient, mass flux, heat flux.
Procedia PDF Downloads 1168202 Autonomic Management for Mobile Robot Battery Degradation
Authors: Martin Doran, Roy Sterritt, George Wilkie
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The majority of today’s mobile robots are very dependent on battery power. Mobile robots can operate untethered for a number of hours but eventually they will need to recharge their batteries in-order to continue to function. While computer processing and sensors have become cheaper and more powerful each year, battery development has progress very little. They are slow to re-charge, inefficient and lagging behind in the general progression of robotic development we see today. However, batteries are relatively cheap and when fully charged, can supply high power output necessary for operating heavy mobile robots. As there are no cheap alternatives to batteries, we need to find efficient ways to manage the power that batteries provide during their operational lifetime. This paper proposes the use of autonomic principles of self-adaption to address the behavioral changes a battery experiences as it gets older. In life, as we get older, we cannot perform tasks in the same way as we did in our youth; these tasks generally take longer to perform and require more of our energy to complete. Batteries also suffer from a form of degradation. As a battery gets older, it loses the ability to retain the same charge capacity it would have when brand new. This paper investigates how we can adapt the current state of a battery charge and cycle count, to the requirements of a mobile robot to perform its tasks.Keywords: autonomic, self-adaptive, self-optimising, degradation
Procedia PDF Downloads 3858201 Simulation of Wet Scrubbers for Flue Gas Desulfurization
Authors: Anders Schou Simonsen, Kim Sorensen, Thomas Condra
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Wet scrubbers are used for flue gas desulfurization by injecting water directly into the flue gas stream from a set of sprayers. The water droplets will flow freely inside the scrubber, and flow down along the scrubber walls as a thin wall film while reacting with the gas phase to remove SO₂. This complex multiphase phenomenon can be divided into three main contributions: the continuous gas phase, the liquid droplet phase, and the liquid wall film phase. This study proposes a complete model, where all three main contributions are taken into account and resolved using OpenFOAM for the continuous gas phase, and MATLAB for the liquid droplet and wall film phases. The 3D continuous gas phase is composed of five species: CO₂, H₂O, O₂, SO₂, and N₂, which are resolved along with momentum, energy, and turbulence. Source terms are present for four species, energy and momentum, which are affecting the steady-state solution. The liquid droplet phase experiences breakup, collisions, dynamics, internal chemistry, evaporation and condensation, species mass transfer, energy transfer and wall film interactions. Numerous sub-models have been implemented and coupled to realise the above-mentioned phenomena. The liquid wall film experiences impingement, acceleration, atomization, separation, internal chemistry, evaporation and condensation, species mass transfer, and energy transfer, which have all been resolved using numerous sub-models as well. The continuous gas phase has been coupled with the liquid phases using source terms by an approach, where the two software packages are couples using a link-structure. The complete CFD model has been verified using 16 experimental tests from an existing scrubber installation, where a gradient-based pattern search optimization algorithm has been used to tune numerous model parameters to match the experimental results. The CFD model needed to be fast for evaluation in order to apply this optimization routine, where approximately 1000 simulations were needed. The results show that the complex multiphase phenomena governing wet scrubbers can be resolved in a single model. The optimization routine was able to tune the model to accurately predict the performance of an existing installation. Furthermore, the study shows that a coupling between OpenFOAM and MATLAB is realizable, where the data and source term exchange increases the computational requirements by approximately 5%. This allows for exploiting the benefits of both software programs.Keywords: desulfurization, discrete phase, scrubber, wall film
Procedia PDF Downloads 2638200 In vitro Protein Folding and Stability Using Thermostable Exoshells
Authors: Siddharth Deshpande, Nihar Masurkar, Vallerinteavide Mavelli Girish, Malan Desai, Chester Drum
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Folding and stabilization of recombinant proteins remain a consistent challenge for industrial and therapeutic applications. Proteins derived from thermophilic bacteria often have superior expression and stability qualities. To develop a generalizable approach to protein folding and stabilization, we tested the hypothesis that wrapping a thermostable exoshell around a protein substrate would aid folding and impart thermostable qualities to the internalized substrate. To test the effect of internalizing a protein within a thermostable exoshell (tES), we tested in vitro folding and stability using green fluorescent protein (GFPuv), horseradish peroxidase (HRP) and renilla luciferase (rLuc). The 8nm interior volume of a thermostable ferritin assembly was engineered to accommodate foreign proteins and either present a positive, neutral or negative interior charge environment. We further engineered the tES complex to reversibly assemble and disassemble with pH titration. Template proteins were expressed as inclusion bodies and an in vitro folding protocol was developed that forced proteins to fold inside a single tES. Functional yield was improved 100-fold, 100-fold and 150-fold with use of tES for GFPuv, HRP and rLuc respectively and was highly dependent on the internal charge environment of the tES. After folding, functional proteins could be released from the tES folding cavity using size exclusion chromatography at pH 5.8. Internalized proteins were tested for improved stability against thermal, organic, urea and guanidine denaturation. Our results demonstrated that thermostable exoshells can efficiently refold and stabilize inactive aggregates into functional proteins.Keywords: thermostable shell, in vitro folding, stability, functional yield
Procedia PDF Downloads 248