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The ONETEP linear-scaling density functional theory program
PublicationWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Conley-Morse graphs for a population model with harvesting. Case He-S1: Equal harvesting of juveniles and adults, survival rates of juveniles and adults add up to 1
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Conley-Morse graphs for a population model with harvesting. Case Hj-Se: Harvesting juveniles only, equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Conley-Morse graphs for a population model with harvesting. Case He-Se: Equal harvesting and equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Conley-Morse graphs for a population model with harvesting. Case Hj-S1: Harvesting juveniles only, survival rates of juveniles and adults add up to 1
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Conley-Morse graphs for a population model with harvesting. Case Ha-S1: Harvesting adults only, survival rates of juveniles and adults add up to 1
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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Conley-Morse graphs for a population model with harvesting. Case Ha-Se: Harvesting adults only, equal survival rates of juveniles and adults
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "Global dynamics in a stage-structured discrete population model with harvesting" by E. Liz and P. Pilarczyk: Journal of Theoretical Biology, Vol. 297 (2012), pp. 148–165, doi: 10.1016/j.jtbi.2011.12.012.
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The Efficiency of Post‐Communist Countries’ Health Systems
PublicationHealth‐care costs are a major financial burden for the transition economies, which have experienced rapidly increasing demand for health‐care services. The former communist countries of the Central and Eastern Europe and Central Asia needed to reform the financing of their health‐care systems and make efforts to strengthen the role of primary care while limiting the role of hospital care. The growing health needs and, consequently,...
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Integrating conventional nitrogen removal with anammox in wastewater treatment systems: Microbial metabolism, sustainability and challenges
PublicationThe various forms of nitrogen (N), including ammonium (NH4+), nitrite (NO2−), and nitrate (NO3−), present in wastewaters can create critical biotic stress and can lead to hazardous phenomena that cause imbalances in biological diversity. Thus, biological nitrogen removal (BNR) from wastewaters is considered to be imperatively urgent. Therefore, anammox-based systems, i.e. partial nitrification and anaerobic ammonium oxidation (PN/anammox)...
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Systems of boundary value problems of advanced differential equations
PublicationThis paper considers the existence of extremal solutions to systems of advanced differential equations with corresponding nonlinear boundary conditions. The monotone iterative method is applied to obtain the existence results. An example is provided for illustration.
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Benchmark of the traffic congestion in electrical transport by means of multi criteria decision analysis
PublicationCongestion of the road traffic is an important aspect related to the issues of energy consumption in public transport. Due to the multiattribute nature, the expression of traffic congestion in a quantitative valueis difficult to achieve. The article presents a method of estimation of traffic congestion by means of a multiattribute decision analysis.
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Why the solvation water around proteins is more dense than bulk water
PublicationThe main aim of this work is to propose a rational explanation of commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that geometry of the water-water hydrogen bond network within solvation layer differs from the one in bulk water and it is the effect of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the structure...
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Why the Solvation Water around Proteins Is More Dense than Bulk Water
PublicationThe main aim of this work is to propose a rational explanation of the commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that the geometry of the water–water hydrogen bond network within solvation layer differs from the one in bulk water, and it is the result of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the...
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Relationships between stakeholder pressure, culture, and CSR-practices in the context of project management in the construction industry in Poland
PublicationThe study aims to investigate how CSR-stakeholder pressure, CSR-company culture, and CSR-practices are related to one another based on the example of the construction industry in Poland. This knowledge will make it possible to assess which of the two factors, i.e., stakeholder culture or the internal company culture have a stronger effect on the CSR-practices. To accomplish the goal of the study a sample composed of 216 cases was...
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Assessment of Environmental Loads in the Life Cycle of a Retail and Service Building
PublicationIn order to achieve the European Union’s climate and energy goals, investments are required, mainly in the areas of energy efficiency, renewable energy sources and infrastructure. Buildings are responsible for almost half of total energy consumption, and nearly 80% of them are energy and ecologically inefficient. The policy of European countries is increasingly more focused on facilities with the highest potential in the areas...
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Synergistic effects of hybrid advanced oxidation processes (AOPs) based on hydrodynamic cavitation phenomenon – A review
PublicationHigh-performance water treatment systems based on cavitational processes have received an increasing interest of scientific community in the past few decades. Numerous studies indicated the advantageous application of hydrodynamic cavitation as an alternative, reagent-free treatment method of various pollutants in water. Both approaches were proved as an effective method to achieve mineralization of many organic contaminants as...
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Adding Interpretability to Neural Knowledge DNA
PublicationThis paper proposes a novel approach that adds the interpretability to Neural Knowledge DNA (NK-DNA) via generating a decision tree. The NK-DNA is a promising knowledge representation approach for acquiring, storing, sharing, and reusing knowledge among machines and computing systems. We introduce the decision tree-based generative method for knowledge extraction and representation to make the NK-DNA more explainable. We examine...
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Heterotrophic Anodic Denitrification in Microbial Fuel Cells
PublicationNowadays, pollution caused by energy production systems is a major environmental concern. Therefore, the development of sustainable energy sources is required. Amongst others, the microbial fuel cell (MFC) seems to be a possible solution because it can produce clean energy at the same time that waste is stabilized. Unfortunately, mainly due to industrial discharges, the wastes could contain nitrates, or nitrates precursors such...
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A VISION-BASED UNMANNED AERIAL VEHICLE NAVIGATION METHOD
PublicationThe satellite navigation systems are the main position sources for unmanned aerial vehicles (UAVs). This fact limits the area of UAVs operation to the places where radio signals is visible for a satellite navigation system receiver, mounted on the vehicle-outdoor navigation. Closed spaced are unavailable for vehicles which navigation is based on global satellite navigation systems (GNSS). Miniature UAV (MiniUAV) is able to operate...
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Evaluation of the energy efficiency of electric vehicle drivetrains under urban operating conditions
PublicationIn electric vehicles, as in hybrids vehicles, a very important factor affecting the energy efficiency of the powertrain is the ability to use the regenerative braking energy. Depending on the settings available in electric vehicles, the driver can choose different modes of operation: switch off the regenerative braking mode altogether, select the intensity of regenerative braking, or leave the control system in automatic mode....
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Integrated algorithm for selecting the location and control of energy storage units to improve the voltage level in distribution grids
PublicationThis paper refers to the issue that mainly appears in distribution grids, where renewable energy sources (RES) are widely installed. In such grids, one of the main problems is the coordination of energy production time with demand time, especially if photovoltaic energy sources are present. To face this problem, battery energy storage units (ESU) can be installed. In recent years, more and more attention has been paid to optimizing...
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Leakage detection and localisation in drinking water distributionnetworks by MultiRegional PCA
PublicationMonitoring is one of the most important steps in advanced control of complex dynamic systems. Precise information about systems behaviour, including faults indicating, enables for efficient control. The paper describes an approach to detection and localisation of pipe leakage in Drinking Water Distribution Systems (DWDS) representing complex and distributed dynamic system of large scale. Proposed MultiRegional Principal Component...
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Top k Recommendations using Contextual Conditional Preferences Model
PublicationRecommender systems are software tools and techniques which aim at suggesting to users items they might be interested in. Context-aware recommender systems are a particular category of recommender systems which exploit contextual information to provide more adequate recommendations. However, recommendation engines still suffer from the cold-start problem, namely where not enough information about users and their ratings is available....
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Improving the accuracy of bearing in active sonar with cylindrical array using spectrum estimation.
PublicationThe articles presents a method for improving the accuracy of bearing in multibeam sonar with a cylindrical array. Based on a known spatial spectrum estimation technique, the method has been successfully used in linear array systems. Its accuracy of bearing is satisfactory and ensures a relatively low computational effort. The article discusses certain simplifications and assumptions to adapt the spatial spectrum estimation technique...
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Designing control strategies of aeration system in biological WWTP
PublicationThe paper presents the complete design processes of a novel aeration control systems in the SBR (Sequencing Batch Reactor) wastewater treatment plant (WWTP). Due to large energy expense and high influence on biological processes, the aeration system plays a key role in WWTP operation. The paper considers the aeration system for a biological WWTP located in the northeast of Poland. This system consists of blowers, the main collector...
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EFFICIENT LINE DETECTION METHOD BASED ON 2D CONVOLUTION FILTER
PublicationThe article proposes an efficient line detection method using a 2D convolution filter. The proposed method was compared with the Hough transform, the most popular method of straight lines detection. The developed method is suitable for local detection of straight lines with a slope from -45˚ to 45˚. Also, it can be used for curve detection which shape is approximated with the short straight sections. The new method is characterized...
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Formulation of Time-Fractional Electrodynamics Based on Riemann-Silberstein Vector
PublicationIn this paper, the formulation of time-fractional (TF) electrodynamics is derived based on the Riemann-Silberstein (RS) vector. With the use of this vector and fractional-order derivatives, one can write TF Maxwell’s equations in a compact form, which allows for modelling of energy dissipation and dynamics of electromagnetic systems with memory. Therefore, we formulate TF Maxwell’s equations using the RS vector and analyse their...
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Ionic conductivity behavior by activated hopping conductivity (AHC) of barium aluminoborosilicate glass–ceramic system designed for SOFC sealing
PublicationNon-conducting BaO-B2O3-Al2O3-SiO2 parent glasses designed for solid oxide fuel cell (SOFC) sealing applications were prepared using the melt-quenching technique. The glass formation region was determined according to phase equilibrium relations and was found to be in the composition range 70BaO-(x)Al2O3-(10−x)B2O3-20SiO2 where 3.0 < x < 6.0 wt%. The conductivity values obtained conductivity ranged from 10−5 to 10−10 S/cm at temperatures...
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Photoelectron spectroscopy of a series of acetate and propionate esters
PublicationThe electronic state and photoionization spectroscopy of a series of acetate esters: methyl acetate, isopropyl acetate, butyl acetate and pentyl acetate as well as two propionates: methyl propionate and ethyl propionate, have been determined using vacuum-ultraviolet photoelectron spectroscopy. These experimental investigations are complemented by ab initio calculations. The measured first adiabatic and vertical ionization energies...
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Evaluation and behaviour of slowly biodegradable substrate on mathematical modelling of oxygen uptake rate in activated sludge systems
PublicationThe effect of the readily biodegradable (Ss) fraction in activated sludge systems has been extensively investigated, but only minor information can be found about the effect of Xs on OUR in activated sludge systems. The aim of this study was to determine the evaluation and behaviour of Xs on mathematical modelling of OUR using ASM2d and its modification. The essential study was divided into two major parts: experimental investigation...
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Opportunities and challenges for exploiting drones in agile manufacturing systems
PublicationDrones have become an advanced supply chain implementation instrument, especially in connecting warehouses to outlet points or even individual customers. However, their potential application in an intra-logistics framework has not been studied, let alone explored so far. Modeling and simulations in virtual environments can help explore and evaluate the opportunities for practical and profitable applications of drones in manufacturing...
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Study of Slip Effects in Reverse Roll Coating Process Using Non-Isothermal Couple Stress Fluid
PublicationThe non-isothermal couple stress fluid inside a reverse roll coating geometry is considered. The slip condition is considered at the surfaces of the rolls. To develop the flow equations, the mathematical modelling is performed using conservation of momentum, mass, and energy. The LAT (lubrication approximation theory) is employed to simplify the equations. The closed form solution for velocity, temperature, and pressure gradient...
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A simplified behavioral MOSFET model based on parameters extraction for circuit simulations.
PublicationThe paper presents results on behavior modeling of general purpose Metal-Oxide Semiconductor Field-Effect Transistor (MOSFET) for simulation of power electronics systems requiring accuracy both in steady-state and in switching conditions. Methods of parameters extraction including nonlinearity of parasitic capacitances and steady-state characteristics are based on manufacturer data sheet and externally measurable characteristics....
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Polyurethanes as a Potential Medical-Grade Filament for Use in Fused Deposition Modeling 3D Printers – a Brief Review
PublicationThe possibility of using 3D printing technology (3DP) in medical field is a kind of revolution in health care. This has contributed to a rapid growth in demand for 3D printers, whose systems and materials are adapted to strict medical requirements. In this paper, we report a brief review of polyurethanes as a potential medical-grade filament for use in Fused Deposition Modeling (FDM) 3D printer technology. The advantages of polyurethanes...
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Semi-definite programming and quantum information
PublicationThis paper presents a comprehensive exploration of semi-definite programming (SDP) techniques within the context of quantum information. It examines the mathematical foundations of convex optimization, duality, and SDP formulations, providing a solid theoretical framework for addressing optimization challenges in quantum systems. By leveraging these tools, researchers and practitioners can characterize classical and quantum correlations,...
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Determination of equivalent axle load factors with the use of strain energy of distortion
PublicationThe paper proposes a new method for calculation of equivalent axle load factors based on the analysis of strain energy of distortion induced in road pavements by traffic loads. The main advantage of the method is the more accurate calculation of the effects of multiple axles and super single versus dual tyres. The methodconsiders the location of critical points, at which strain energy of distortion reaches extreme values. When...
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Exploring application relationships within enterprise system by matching messages in enterprise log
PublicationWith data becoming their key asset, large enterprises require data governance processes to maintain its quality. Because a large portion of business value in enterprise systems is usually delivered by legacy applications without proper documentation, there is a need for a better understanding of these applications and the data produced by them. In this paper, we present an approach to collecting insights into the data managed by...
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Nowoczesne metody termochemicznej konwersji biomasy w paliwa gazowe, ciekłe i stałe = Modern methods of thermochemical biomass conversion into gas, liquid and solid fuels
PublicationBiomass utilization through direct- or co-combustion with coal, based on coal, hydrogen and oxygen compounds chemical energy conversion into heat in boilers, is simultaneously the cheapest and - according to experts - economically least effective solution. In case of heat and electricity production in cogeneration process in biomass fueled heat and power stations (wood, straw, energetic plants, RDF etc), investment costs are little...
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Impact of Intelligent Transport Systems Services on the Level of Safety and Improvement of Traffic Conditions
PublicationThe positive effects of the services of Intelligent Transport Systems (ITS) on the level of transport systems operation was confirmed by long-term studies conducted, inter alia, in the USA, Japan and Europe. Benefits resulting from the application of ITS services can be presented through performance indicators. The indicators represent in a numerical or qualitative manner to what extent ITS services can contribute to improving...
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Shape-controllable synthesis of GdVO4 photocatalysts and their tunable properties in photocatalytic hydrogen generation
PublicationNovel visible light responsive materials for water splitting are essential for the efficient conversion of solar energy into hydrogen bond energy. Among other semiconductors, gadolinium orthovanadate has appropriate conduction and valence band edges positioned to split water molecules and a narrow band gap that allows the use of visible light for hydrogen generation. Thus, we present here that hydrogen evolution under visible light...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Method of Monitoring of the Grinding Process with Lapping Kinematics Using Audible Sound Analysis
PublicationUtilising microphones as audible sound sensors for monitoring a single-side grinding process with lapping kinematics is presented in the paper. The audible sound generated during grinding depended on the cutting properties of electroplated tools with D107 diamond grains and different thicknesses of the nickel bond. The tool wear affected the obtained technological effects such as material removal rate and the surface roughness...
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Influence of chemical structure on physicochemical properties and thermal decomposition of the fully bio-based poly(propylene succinate-co-butylene succinate)s
PublicationIn this work, two polyesters and four copolyesters were studied. All materials were synthesized to obtain the monomers dedicated for thermoplastic polyurethane elastomers. For this type of PUR, the monomers should characterize by appropriate selected physicochemical properties and macromolecular structure distribution, which depends on synthesis conditions. The study of chemical structure with extensive and knowledgeable analysis...
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Experiments and calibration of a bond-slip relation and efficiency factors for textile reinforcement in concrete
PublicationTextile reinforcement yarns consist of many filaments, which can slip relative each other. At modelling of the global structural behaviour, interfilament slip in the yarns, and slip between the yarns and the concrete can be considered by efficiency factors for the stiffness and strength of the yarns, and by applying a bond-slip relation between yarns and concrete. In this work, an effective and robust method for calibration of...
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The conception of energetic investigations of the multisymptom fatigue of the simple mechanical systems' constructional materials
PublicationThe article presents the basic assumptions of the research project aimed, as the main scientific purpose, an identification of the slow-changeable energy processes surrounding the high-cycle fatigue of constructional materials within the plain mechanical system, especially the marine one, for diagnostic purposes. There is foreseen an application of alternative diagnostic methods based on energetic observations of the multi-symptom,...
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Determination of energy-transfer distributions in ionizing ion-molecule collisions
PublicationThe main objective of this study is to determine the energy transfer occuring in ion-molecule collisions. In order to solve this problem, we followed two approaches; the first one by validating a purely experimental method and the second one by testing a new theoretical model M3C (Microcanonical Metropolis Monte Carlo).
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Photovoltaic Maximum Power Point Technique based on Incremental Conductance (INCON) control algorithm
PublicationMaximum output power status can significantly improve the deployment rate of solar energy system. In order to get the maximum power output, issue of tracking maximum power point (MPP), reduced harmonics around MPP and improve efficiency of the solar power energy system, this paper presents the improved maximum power point tracking (MPPT) control...
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Low energy differential elastic electron scattering from acetonitrile (CH3CN)
PublicationMeasurements of elastic differential cross sections for electron scattering from acetonitrile (CH3CN) have been performed utilizing a crossed electron-molecular beam experiment and with the relative flow method, for the incident electron energy range of 0.7 eV–30 eV and the scattering angle range of 10◦–130◦. These differential cross sections have been used to calculate the elastic integral and momentum- transfer cross sections,...
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High Frequency Conducted Emission in AC Motor Drives Fed By Frequency Converters: Sources and Propagation Paths
PublicationProvides a concise and thorough reference for designing electrical and electronic systems that employ adjustable speed drives Electrical and electronic systems that employ adjustable speed drives are being increasingly used in present-day automation applications. They are considered by many application engineers as one of the most interfering components, especially in a contemporarily faced industrial environment. This book fills...
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FDTD Simulations on Disjoint Domains with the Use of Discrete Green's Function Diakoptics
PublicationA discrete Green's function (DGF) approach to couple disjoint domains in the finite-difference time-domain (FDTD) grid is developed. In this method, total-field/scattered-field (TFSF) FDTD domains are associated with simulated objects whereas the interaction between them is modeled with the use of the DGF propagator. Hence, source and scatterer are simulated in separate domains and updating of vacuum cells, being of little interest,...