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Search results for: monte carlo simulations
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublicationThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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On the current state of dovetail wall-corner joints in wooden Greek Catholic churches in Polish Subcarpathia with structural and sensitivity analyses
PublicationThis paper describes the current condition of some dovetail joints which form the wall corners of two Greek Catholic churches of wooden construction in Polish Subcarpathia. It also gives the historical background of the sacral architecture of that region. The two structures, which represent the same type of log corner joints are situated in Chotylub and Cewków. The buildings were examined e.g. for damage, wood moisture content,...
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Dynamic tests of composite footbridge segment – experimental and numerical studies
PublicationExperimental dynamic tests and numerical simulations of a 3 meters long segment of a footbridge made of polymer composites are presented in the paper. The span-length is reduced, however dimensions of cross-section are the same as the target footbridge. The segment structure is made of sandwich panels, which consist of fibre reinforced polymer (GFRP) laminates (skins) and a PET foam (core). The first part of the paper contains...
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Discrete-continuous optimisation of an axial flow blood pump
PublicationThis paper presents results of discrete-continuous optimisation of an axial flow blood pump. Evolution Strategies (ES) are used as a global optimisation method in order to localise the optimal solution in relatively short time. The whole optimisation process is fully automated. This also applies to geometry modelling. Numerical simulations of the flow inside the pump is performed by means of the Reynolds-Average Navier-Stokes...
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Rapid design closure of microwave components by means of feature-based optimization and adjoint sensitivities
PublicationIn this article, fast design closure of microwave components using feature-based optimization (FBO) and adjoint sensitivities is discussed. FBO is one of the most recent optimization techniques that exploits a particular structure of the system response to “flatten” the functional landscape handled during the optimization process, which leads to reducing its computational complexity. When combined with gradient-based search involving...
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A METHOD OF TRUST MANAGEMENT IN WIRELESS SENSOR NETWORKS
PublicationThe research problem considered in this paper is how to protect wireless sensor networks (WSN) against cyber-threats by applying trust management and how to strengthen network resilience to attacks targeting the trust management mechanism itself. A new method, called WSN Cooperative Trust Management Method (WCT2M), of distributed trust management in multi-layer wireless sensor networks is proposed and its performance is evaluated....
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Rapid design closure of linear microstrip antenna array apertures using response features
PublicationA simple yet reliable approach to a rapid design closure of linear antenna array apertures at the electromagnetic (EM)-simulation level is proposed. Our methodology exploits an underlying array factor (AF) model suitably corrected by means of characteristic points (angles and levels) of the radiation pattern of the EM model of the antenna array aperture. This conveniently allows for controlling both the side lobe levels...
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Formation of carbon monoxide by radiative association: a quantum dynamical study
PublicationRate coefficients for the formation of carbon monoxide (CO) by radiative association of carbon and oxygen atoms are computed using quantum dynamical simulations. At temperatures above 10 K CO radiative association is dominated by C(3P) and O(3P) approaching on the A1Π potential energy curve. The rate coefficient is estimated as k=A(T/300 K)αexp−β/T with A= 1.39 × 10−18 cm3 s−1, α=−0.016 and β= 92.2 for temperatures between 6 and...
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Influence of anisotropic stiffness in numerical analyses of tunneling and excavation problems in stiff soils
PublicationIn the stiff overconsolidated soil deposits anisotropy influences small and intermediate strain stiffness and hence it has important impact on the results of discplacement preditcions in soil-structure modelling. The authors developed a cross-anisotropic soil model which combines both stress dependent and micro-structural anisotropy. The model is based on the anisotropic hyperelastic kernel for small strain stiffness. Reference...
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Sensitivity of the Baltic Sea level prediction to spatial model resolution
Publicationhe three-dimensional hydrodynamic model of the Baltic Sea (M3D) and...
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Badania eksperymentalne i analiza numeryczna sklepień ceglanych. Wzmocnienie sklepień z wykorzystaniem struktur tensegrity.
PublicationCelem pracy jest opracowanie wzmocnienia zabytkowych sklepień murowych prętowo-cięgnowymi strukturami tensegrity. W tym celu przeanalizowano zagadnienia uszkodzeń, analizy oraz wzmacniania kopuł i sklepień murowych. W kolejnej części rozprawy przedstawiono prace badawczo-rozwojowe zakończone skutecznym wdrożeniem typoszeregu hal namiotowych o konstrukcji prętowo-cięgnowej typu tensegrity. Przeprowadzono badania dynamiczne oraz...
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A Simulation Model for Risk and Pricing Competition in the Retail Lending Market
PublicationWe propose a simulation model of the retail lending market with two types of agents: borrowers searching for low interest rates and lenders competing through risk-based pricing. We show that individual banks observe adverse selection, even if every lender applies the same pricing strategy and a credit scoring model of comparable discrimination power. Additionally, the model justifies the reverse-S shape of the response rate curve....
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An Experimentally Aided Operational Virtual Prototyping to Obtain the Best Spindle Speed during Face Milling of Large-Size Structures
PublicationAbstract: The paper presents an original method concerning the problem of vibration reduction in the general case while milling large-size and geometrically complex details with the use of an innovative approach to the selection of spindle speed. A computational model is obtained by applying the so-called operational approach to identify the parameters of the workpiece modal model. Thanks to the experimental modal analysis results,...
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PV installations and the safety of residential buildings
PublicationThe dynamic development of the photovoltaic industry entails threats that have a direct impact on the safety of residential buildings. Appropriate design of a PV installation can be a challenge due to the multifaceted nature of this issue. The designer should take into account issues related to the selection of electrical parameters of the installation, adapting lightning and surge protection in accordance...
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Pedestrian on footbridges, vertical loads and response
PublicationThe paper is a synthesis of the experimental and theoretical investigations on dynamics of pedestrian bridges under vertical load The subject is divided into four issues.1) The pedestrian as a vertical dynamic load on footbridges, theoretic load function for walking and crouching.2) Crowd walking on the footbridge - pedestrian flow.3) Vertical lock-in effect.4) Response of the footbridge - numeric and side test results, -...
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Low-Cost Behavioral Modeling of Antennas by Dimensionality Reduction and Domain Confinement
PublicationBehavioral modeling has been rising in importance in modern antenna design. It is primarily employed to diminish the computational cost of procedures involving massive full-wave electromagnetic (EM) simulations. Cheaper alternative offer surrogate models, yet, setting up data-driven surrogates is impeded by, among others, the curse of dimensionality. This article introduces a novel approach to reduced-cost surrogate modeling of...
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Signal Propagation in Electromagnetic Media Modelled by the Two-Sided Fractional Derivative
PublicationIn this paper, wave propagation is considered in a medium described by a fractional-order model, which is formulated with the use of the two-sided fractional derivative of Ortigueira and Machado. Although the relation of the derivative to causality is clearly specified in its definition, there is no obvious relation between causality of the derivative and causality of the transfer function induced by this derivative. Hence, causality...
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Buried Object Characterization Using Ground Penetrating Radar Assisted by Data-Driven Surrogate-Models
PublicationThis work addresses artificial-intelligence-based buried object characterization using 3-D full-wave electromagnetic simulations of a ground penetrating radar (GPR). The task is to characterize cylindrical shape, perfectly electric conductor (PEC) object buried in various dispersive soil media, and in different positions. The main contributions of this work are (i) development of a fast and accurate data driven surrogate modeling...
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Experimental and Numerical Study on Mechanical Characteristics of Aluminum/Glass Fiber Composite Laminates
PublicationThe fiber-metal composites made of aluminum sheets and glass fibers reinforced with a polyester resin as the matrix were studied. The composites were prepared by hand lay-up method. Some aspects of manufacturing affecting the composite behavior were considered. In particular, the influences of the arrangement of layers and their number on the mechanical and physical properties of composites with ten different compositions were...
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A concept for reducing PM 10 emissions for car brakes by 50%
PublicationWith regard to airborne particles with an aerodynamic diameter of less than 10 μm (PM10), in countries in the European Union, the mass of brake emissions equals approximately 8–27% of the total traffic-related emissions. Using a research methodology combining tests at different scale levels with contact mechanics simulations and PM10 chemical characterization, the REBRAKE EU-financed project had the following aims: i) to demonstrate...
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Testing of the longest span soil-steel bridge in Europe – new quality in measurements
PublicationThe article describes interdisciplinary and comprehensive diagnostic tests of final bridge inspection and acceptance proposed for a soil – steel bridge made of corrugated sheets, being the European span length record holder (25.74 m). As an effect of an original concept a detailed and precise information about the structure response was collected. The load test design was based on the nonlinear numerical simulations performed by...
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FEM and experimental investigations of concrete temperature field in the massive stemwall of the bridge abutment
PublicationThe paper deals with the prediction of early-age concrete temperature of cast-in-place stemwall of the bridge abutment. The considered object is an arch bridge located in Gda´nsk. In the case of massive structures, it is particularly important to not exceed the temperature difference between the core and the concrete surface. Too high temperature gradient generates an increase in thermal stresses, what could be the reason of exceeding...
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublicationMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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Fractional Spectral and Fractional Finite Element Methods: A Comprehensive Review and Future Prospects
PublicationIn this article, we will discuss the applications of the Spectral element method (SEM) and Finite element Method (FEM) for fractional calculusThe so-called fractional Spectral element method (f-SEM) and fractional Finite element method (f-FEM) are crucial in various branches of science and play a significant role. In this review, we discuss the advantages and adaptability of FEM and SEM, which provide the simulations of fractional...
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Improving Output Performance of the Ultrasonic Multicell Piezoelectric Motor by Development the Multi-Rotor Structure
PublicationIn recent years, many researches have been carried out on piezoelectric multi-rotor structures. This paper describes the analysis, development and experimental process of an ultrasonic multi-cell piezoelectric motor using a multi-rotor structure. In this design, three independent cells have been integrated into a mechatronic system. Analytical model and finite element method are used for modal and dynamic analysis of the proposed...
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Thermal analysis of Magnetohydrodynamics (MHD) Casson fluid with suspended Iron (II, III) oxide-aluminum oxide-titanium dioxide ternary-hybrid nanostructures
PublicationThis study is carried out to enhance and analyze the thermal performance of non-Newtonian Casson fluid by immersing Ternary hybrid nanoparticles Fe3O4-Al2O3-TiO2 uniformly. To model the behaviour of such complex phenomena mathematically, a system of complex transport differential equations is developed by utilizing a non-Fourier heat transfer model for energy transport. The non-dimensional system of transport equations involving...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublicationThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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Development of Local IDF-formula Using Controlled Random Search Method for Global Optimization
PublicationThe aim of the study is to present the effective and relatively simple empirical approach to rainfall Intensity-Duration-Frequency-formulas development, based on Controlled Random Search (CRS) for global optimization. The approach is mainly dedicated to the cases in which the commonly used IDF-relationships do not provide satisfactory fit between simulations and observations, and more complex formulas with higher number of parameters...
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Merging extremum seeking and self-optimizing narrowband interference canceller - overdetermined case
PublicationActive cancellation systems rely on destructive interference to achieve rejection of unwanted disturbances entering the system of interest. Typical practical applications of this method employ a simple single input, single output arrangement. However, when a spatial wavefield (e.g. acoustic noise or vibration) needs to be controlled, multichannel active cancellation systems arise naturally. Among these, the so-called overdetermined...
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Cable-stayed cantilever structures as an expat of unique application in the construction of a building located in seismic area – an author’s project of multifunctional building in Lisbon, Portugal
PublicationThe article presents numerical simulations for the modelling of seismic impact on the structure of unique cantilever cablestayed structure with application of two methods. The Response Spectrum method, in which a spectrum of the structure's responses to an earthquake's impact is generated and the Accelerogram method, in which we generate dynamic load in the form of a diagram of the connection between acceleration and time for...
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Rapid design of miniaturised branch-line couplers through concurrent cell optimisation and surrogate-assisted fine-tuning
PublicationIn this study, the authors introduce a methodology for low-cost simulation-driven design optimisation of highly miniaturised branch-line couplers (BLCs). The first stage of their design approach exploits fast concurrent optimisation of geometrically dependent, but electromagnetically isolated cells that constitute a BLC. The cross-coupling effects between the cells are taken into account in the second stage, where a surrogate-assisted...
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Laser patterned platform with PEDOT–graphene composite film for NO2 sensing
PublicationThis work presents a simple and fully electrochemical route used for fabricating of a NO2 gas sensor made of reduced-graphene-oxide-poly(3,4-ethylenedioxythiophene) composite film. The sensing platform was fabricated from alumina substrate and equipped with gold interdigitated electrodes and built-in heater.The temperature distribution on the surface of interdigitated electrodes was investigated by a thermalimaging camera and compared...
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Sensorless Control of Polyphase Induction Machines
PublicationThe basics of transformations of polyphase systems into orthogonal systems are explained. Vector models of induction machines in orthogonal planes are analysed and multiscalar models for rotor flux and main flux together with stator current are presented. A speed observer based on an extended model of the induction machine for selected variables is applied in the control system for the induction machine. On the basis of the model...
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Low-cost multi-objective design of compact microwave structures using domain patching
PublicationA good compromise between size and electrical performance is an important design consideration for compact microwave structures. Comprehensive information about size/performance trade-offs can be obtained through multi-objective optimization. Due to considerable electromagnetic (EM) cross-couplings in highly compressed layouts, the design process has to be conducted at the level of high-fidelity EM analysis which is computationally...
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Fast geometry scaling of UWB band-notch antennas
PublicationImplementation of band-notch capability plays an important role in the design of ultra-wideband (UWB) antennas. At the same time, appropriate sizing of antenna geometry parameters in order to precisely allocate the notch at the required frequency as well as to ensure sufficient reflection level is quite challenging and has to be based—for reliability reasons—on full-wave electromagnetic (EM) simulations of the structure. In this...
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Measurements of Path Loss in Off-Body Channels in Indoor Environments
PublicationThis paper presents a measurements of the path loss for validation of a statistical model for off-body radio channels in an indoor multipath environment, which considers the distance dependent mean path loss, and describes body shadowing and fast fading components in a statistical way. The measurement equipment and propagation indoor environment have been presented. Two different bodies and five static and two walking scenarios...
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Non-linear behaviour of base-isolated building supported on flexible soil under damaging earthquakes
PublicationSeismic isolation is a strategy to reduce damage of structures exposed to devastating earthquake excitations. Isolation systems, applied at the base of buildings, lower the fundamental frequency of the structure below the range of dominant frequencies of the ground motion as well as allow to dissipate more energy during structural vibrations. The effectiveness of the base-isolated buildings in damage reduction has been confirmed...
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Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublicationThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...
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Modeling the Effects of Slowly Biodegradable Substrate at Large WWTP in Northern Poland
PublicationThe essential study was divided into two parts: experimental investigation and mathematical modeling using special platform to computer simulations. In the first part of research an innovative measurement procedure for an indirect determination of the effect of biodegradable particulate and colloidal Xs substrate was developed and implemented. The results of laboratory tests were used futher to verify the mechanism of the hydrolysis...
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Sensorless control of five-phase induction machine supplied by the VSI with output filter
PublicationIn this paper, a novel sensorless control structure based on multi-scalar variables is proposed. The tatic feedback control law is obtained by using the multi-scalar variables transformation, where the multi-scalar variables approach allows a full linearization of the nonlinear system. The control system could be described as “optimized” because of the minimized number of controllers. Furthermore, control system is divided into...
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Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail
PublicationC99 is the C-terminal membrane-bound fragment of the amyloid precursor protein that is cleaved by γ-secretase to release Aβ peptides, the hallmark of Alzheimer’s disease (AD). Specific interactions of C99 with cholesterol have been proposed to underlie the recognized role of cholesterol in promoting amyloidogenesis. By using molecular dynamics simulations, we studied cholesterol binding to C99 in a lipid bilayer. We determined...
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A dynamic vehicle-bridge model based on the modal identification results of an existing EN57 train and bridge spans with non-ballasted tracks
PublicationThis paper addresses the methodology of the bridge-vehicle dynamic model definition based on the free response measurements of an existing train and existing bridge spans. In the case of the railway vehicle, the methodology uses the impulse excitations of a single car by means of the wedge method. In the case of the bridge spans, free responses are collected after the passages of trains. The global modal parameters (frequencies...
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Study of probe signal bandwidth influence on estimation of coherence bandwidth for underwater acoustic communication channel
PublicationA signal transmitted in a shallow Underwater Acoustic Communication (UAC) channel suffers from time dispersion due to the multipath propagation and the refraction phenomena. This causes intersymbol interference of the received signal and frequency-selective fading observed in its spectrum. Coherence bandwidth is one of the key transmission parameters used for designing the physical layer of a data transmission system to minimise...
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Mitigating Time-Constrained Stolen-Credentials Content Poisoning in an NDN Setting
PublicationNDN is a content-centric networking architecture using globally addressable information objects, created by publishers and cached by network nodes to be later accessed by subscribers. Content poisoning attacks consist in the substi-tution by an intruder publisher of bogus objects for genuine ones created by an honest publisher. With valid credentials stolen from an honest publisher, such attacks seem unstoppa-ble unless object...
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Two kinds of oxygen vacancies in lithium titaniate doped with copper as detected by EPR
PublicationLithium titanate (Li1+xTi2-xO4) doped with Cu2+ ions was synthesized by sol-gel processing method. The structure and morphology are characterized by X-ray Diffraction (XRD), X-ray Photoemission Spectroscopy (XPS), Scanning Electron Microscopy (SEM) and Electron Paramagnetic Resonance (EPR). Spin Hamiltonian parameters describing Zeeman and hyperfine interaction for 63Cu2+ ions were obtained from EPR spectra simulations. The spectra...
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Influence of Holes Manufacture Technology on Perforated Plate Aerodynamics
PublicationTranspiration flow is a very important and still open subject in many technical applications. Perforated walls are useful for the purpose of “flow control”, as well as for the cooling of walls and blades (effusive cooling) in gas turbines. We are still not able to include large numbers of holes in the numerical calculations and therefore we need physical models. Problems are related also to the quality of the holes in perforated...
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Light-Modulated Sunscreen Mechanism in the Retina of the Human Eye
PublicationThe functioning of the human eye in the extreme range of light intensity requires a combination of the high sensitivity of photoreceptors with their photostability. Here, we identify a regulatory mechanism based on dynamic modulation of light absorption by xanthophylls in the retina, realized by reorientation of pigment molecules induced by trans–cis photoisomerization. We explore this photochemically switchable system using chromatographic...
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Robust-adaptive dynamic programming-based time-delay control of autonomous ships under stochastic disturbances using an actor-critic learning algorithm
PublicationThis paper proposes a hybrid robust-adaptive learning-based control scheme based on Approximate Dynamic Programming (ADP) for the tracking control of autonomous ship maneuvering. We adopt a Time-Delay Control (TDC) approach, which is known as a simple, practical, model free and roughly robust strategy, combined with an Actor-Critic Approximate Dynamic Programming (ACADP) algorithm as an adaptive part in the proposed hybrid control...
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Current divider-based nanosecond high current pulse measuring systems
PublicationThis paper presents the analysis of the new approach to the measurement methodology of significant values (in order of hundreds of kA) and huge steepness (in order of MA/μs) current pulses based on current dividers along with a comparison of the various types transducers suitability in measuring systems with such extreme parameters. Such dividers are used to extend the measurement ranges of current transducers with limited current...
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Model Correction and Optimization Framework for Expedited EM-Driven Surrogate-Assisted Design of Compact Antennas
PublicationDesign of compact antennas is a numerically challenging process that heavily relies on electromagnetic (EM) simulations and numerical optimization algorithms. For reliability of simulation results, EM models of small radiators often include connectors which—despite being components with fixed dimensions—significantly contribute to evaluation cost. In this letter, a response correction method for antenna models without connector,...