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Search results for: ELECTRONIC STRUCTURE AND DENSITY
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The smoothness test for a density function
PublicationThe problem of testing hypothesis that a density function has no more than μ derivatives versus it has more than μ derivatives is considered. For a solution, the L2 norms of wavelet orthogonal projections on some orthogonal ‘‘differences’’ of spaces from a multiresolution analysis is used. For the construction of the smoothness test an asymptotic distribution of a smoothness estimator is used. To analyze that asymptotic distribution,...
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The Verification of the Usefulness of Electronic Nose Based on Ultra-Fast Gas Chromatography and Four Different Chemometric Methods for Rapid Analysis of Spirit Beverages
PublicationSpirit beverages are a diverse group of foodstuffs. They are very often counterfeited which cause the appearance of low quality products or wrongly labelled products on the market. It is important to find a proper quality control and botanical origin method enabling the same time preliminary check of the composition of investigated samples, which was the main goal of this work. For this purpose, the usefulness of electronic nose...
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Comparison of an Electronic Nose Based on Ultrafast Gas Chromatography, Comprehensive Two-Dimensional Gas Chromatography, and Sensory Evaluation for an Analysis of Type of Whisky
PublicationWhisky is one of the most popular alcoholic beverages. There are many types of whisky, for example, Scotch, Irish, and American whisky (called bourbon). The whisky market is highly diversified, and, because of this, it is important to have a method which would enable rapid quality evaluation and authentication of the type of whisky. The aim of this work was to compare 3 methods: an electronic nose based on the technology of ultrafast...
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Managing competence and certifying persons responsible for functional safety = Zarządzanie kompetencjami i certyfikacja osób odpowiedzialnych za bezpieczeństwo funkcjonalne
PublicationThis article emphasizes that knowledge and competences of managers, engineers and specialists dealing with safety-related technologies for hazardous industry should be appropriately shaped in the technical education processes and training programmes fulfilling some quality requirements and assessment criteria. It concerns especially persons dealing with the functional safety solutions in the design and operation of the electric,...
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Integrity level verification for safety-related functions
PublicationThis article describes methods for safety integrity level (SIL) verification of safety-related functions with regard to probabilistic criteria given international standards IEC 61508 and IEC 61511. These functions are to be realized using the electrical, electronic and programmable electronic (E/E/PE) systems or safety instrumented systems (SIS). Some methods are proposed for quantitative probabilistic modelling taking into account...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Magnetic field effects in dye-sensitized and organic solar cells
PublicationThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. The aim of this thesis is to understand the electronic processes limiting the operation of efficient solar cells with particular emphasis on the role of electronic states endowed with magnetic dipole moment. The research work is divided into two parts. The first part deals...
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Magnetic field maps of an astable multivibrator in frequency range from 30 MHz to 3 GHz – spatial detection
Open Research DataThe data presents a result of near field measurements of electromagnetic emissions radiated from the PCB of a small electronic device. An efficient method of modelling the magnetic and electric field emissions is the measurements in the near field using electric and magnetic probes. The attached files contain magnetic field maps created on based measurements...
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Magnetic field maps of an astable multivibrator in frequency range from 100 kHz to 50 MHz
Open Research DataThe data presents a result of near field measurements of electromagnetic emissions radiated from the PCB of a small electronic device. An efficient method of modelling the magnetic and electric field emissions is the measurements in the near field using electric and magnetic probes. The attached files contain magnetic field maps created on based measurements...
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Electric field maps of an astable multivibrator in frequency range from 30 MHz to 3 GHz
Open Research DataThe data presents a result of near field measurements of electromagnetic emissions radiated from the PCB of a small electronic device. An efficient method of modelling the magnetic and electric field emissions is the measurements in the near field using electric and magnetic probes. The attached files contain electric field maps created on based measurements...
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Possible schemes of photoassociation processes in the KLi molecule with newly calculated potential energy curves
PublicationWe present four promising schemes for photoassociative formation of KLi molecule in its ground electronic state. Analysis is based on newly calculated adiabatic potentials supported by transition dipole moments and Franck-Condon factors.
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Model otwartej architektury rozproszonych dokumentów elektronicznych wspierającej proces podejmowania decyzji w trybie obliczeń zespołowych
PublicationModel otwartej architektury mobilnych dokumentów interaktywnych MIND, został opracowany w celu efektywnego zarządzania informacją w procesach podejmowanych przez organizacje oparte na wiedzy. Architektura ta stanowi całościowy opis struktury i funkcjonalności dokumentu, zaprojektowanego w celu realizacji rozproszonego przetwarzania zespołowego i pracy grupowej. Umożliwia automatyczne przejście od statycznej postaci dokumentów...
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Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublicationThe article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...
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Stabilization of N-, N,N-, N,N'-Methylated and Unsubstituted Simple Amidine Salts by Multifurcated Hydrogen Bonds
PublicationIn the light of the usefulness of amidines in medicinal chem., this paper considers the effects on biol. properties and chem. reactivities of org. mols. affected by intramol. interactions. The study of chem. shifts has been an important source of information on the electronic structure of amidine salts and their ability to form non-covalent bonds with nucleic acids. The NMR and IR results demonstrate that hydrogen bonds are...
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Influence of orientational disorder on the optical absorption properties in hybrid metal‐halide perovskite CH3NH3PbI3. A combined DFT/TD‐DFT and experimental study.
PublicationAn experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH3NH3PbI3 in the tetragonal phase. More than 3000 geometry optimizations were performed in order to reveal the structural disorder and to identify structures with the lowest energies. The electronic structure calculations provide an averaged band gap of 1.674 eV, which is in excellent agreement...
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Rapid on-line method of wastewater parameters estimation by electronic nose for control and operating wastewater treatment plants toward Green Deal implementation
PublicationIn order to comply with legal regulations related to wastewater quality, the operational mode of facilities at wastewater treatment plant (WWTP) should be properly adjusted according to parameters of influents, however it is very difficult without frequently performed measurements. Currently there are known many techniques and devices for assesment of wastewater parameters such as chemical oxygen demand, biochemical oxygen demand,...
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Electromagnetic Field Associated With Dermoscope Magnets May Affect the Safety of Cardiac Implanted Electronic Devices Patients
PublicationDermoscopy is currently used as an auxiliary tool in general dermatology. Since some commercially available dermoscopes have built-in magnets, electromagnetic interference (EMI) may occur when examining cardiac implantable electronic devices (CIED) patients. The aim of the study was to create maps of electromagnetic fields defining a safe distance in terms of EMI. The study was performed in laboratory conditions using measuring...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublicationWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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Spin and Orbital Effects on Asymmetric Exchange Interaction in Polar Magnets: M(IO3)2 (M = Cu and Mn)
PublicationMagnetic polar materials feature an astonishing range of physical properties, such as magnetoelectric coupling, chiral spin textures, and related new spin topology physics. This is primarily attributable to their lack of space inversion symmetry in conjunction with unpaired electrons, potentially facilitating an asymmetric Dzyaloshinskii–Moriya (DM) exchange interaction supported by spin–orbital and electron–lattice coupling. However,...
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Workflow patterns applicable to virtual knowledge-based organizations
PublicationWorkflow is a term specifying how to automate a business process, in whole or part during which documents, information or tasks are passed from one participant to another for action, according to a set of procedural rules. Workflow is therefore directly applicable in virtual knowledge-based organizations, where information is exchanged via electronic documents. In the literature, is presented a complete list of workflow control-flow...
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Functional Safety Analysis including Human Factors
PublicationIn this paper selected aspects of human factors are discussed that should be taken into account during the design of safety-related functions for a complex hazardous installation and its protections. The layer of protection analysis (LOPA) methodology is used for simplified risk analysis based on defined accident scenarios. To control the risk the safety instrumented functions (SIFs) are identified and their safety integrity levels...
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Implementation of Contemporary Technologies in Naval Sonars Modernization
PublicationToday’s fast technological advancement in electronics and signal processing methods makes electronic systems, including sonars, obsolete very quickly. The Polish Navy seems to be particularly affected as its ships were built in the 1970s and 1980s. Researchers at the Gdansk University of Technology have developed a methodology for modernising Navy sonars which involves the use of new electronic sub-systems and modern, bespoke methods...
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How Much Does an e-Vote Cost? Cost Comparison per Vote in Multichannel Elections in Estonia
PublicationWe are presenting the results of the CoDE project in this paper, where we investigate the costs per vote of different voting channels in Estonian Local Elections (2017). The elections analyzed involve different processes for casting a vote: Early Voting at County Centers, Advance Voting at County Centers, Advance Voting at Ordinary Voting District Committees, Electronic Voting, Election Day Voting, and Home Voting. Our analysis...
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Magnetic field maps of an astable multivibrator in frequency range from 30 MHz to 3 GHz – selective detection
Open Research DataThe data presents a result of near field measurements of electromagnetic emissions radiated from the PCB of a small electronic device. An efficient method of modelling the magnetic and electric field emissions is the measurements in the near field using electric and magnetic probes. The attached files contain magnetic field maps created on based measurements...
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Dual Active Bridge (DAB) DC-DC converter for multilevel propulsion converters for electrical multiple units (EMU)
PublicationSemiconductor power devices made from silicon carbide (SiC) reached a level of technology enabling their widespread use in power converters. Two different approaches to implementation of modern traction converters in electric multiple units (EMU) have been presented in recent years: (i) 3.3-kV SiC MOSFET-based three-level PWM inverter with regenerative braking and (ii) 6.5-kV IGBT-based four-quadrant power electronic traction transformer...
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Investigation of Continuous Wave Jamming in an IEEE 802.15.4 Network
PublicationThis paper presents how continuous wave jamming affects IEEE 802.15.4 network. To this end, an office-based measurement setup has been proposed. Within the measurement area, 25 nodes have been set up in order to create a IEEE 802.15.4 tree-based test network structure. A dedicated jamming device that generates and transmits a continuous wave signal has been developed. Several tests have been conducted and presented to demonstrate...
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Pressure effects on the superconductivity of the HfPd2Al Heusler compound: Experimental and theoretical study
PublicationPolycrystalline HfPd2Al has been synthesized using the arc-melting method and studied under ambient-pressure conditions by x-ray diffraction from room temperature up to 450 °C. High-pressure x-ray diffraction up to 23 GPa was also performed using Diacell-type membrane diamond anvil cells. The estimated linear thermal expansion coefficient was found to be α=1.40(3)×10−5K−1, and the bulk modulus derived from the fit to the third-order...
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High Energy Density Physics
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Safety Integrity Verification Issues of the Control Systems for Industrial Process Plants
PublicationThe aim of this article is to identify and discuss some issues that can be encountered in designing the industrial automation and control systems (IACS) for implementing safety functions. In a functional safety standard IEC 61511 for the process industry such systems are named the basic process control systems (BPCS) and the safety instrumented systems (SIS). In a generic functional safety standard IEC 61508 they are depicted as...
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Problems in designing and operating the functional safety solutions of higher integriity levels
PublicationThe aim of this article is to identify and discuss some problems that have been encountered in designing and operating the functional safety solutions of higher safety integrity levels (SIL 3 and SIL 4) in the light of analyses outlined in a new version of the international standard IEC 61508:2010. Examples of such solutions are the electric / electronic / programmable electronic systems (E/E/PESs) and the safety instrumented systems...
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Towards systemic functional safety and security management in hazardous plants
PublicationThe aim of this article is to identify and discuss some issues related to functional safety and security management in hazardous industrial plants. The safety functions are to be realised using the electric / electronic / programmable electronic systems (E/E/PESs) or the safety instrumented systems (SISs) that are designed and operated respectively according to IEC 61508 and IEC 61511 requirements in life cycle. Although the role...
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Power Electronics Building Blocks for implementing Smart MV/LV Distribution Transformers for Smart Grid
PublicationWith an observed increase in the involvement of active consumers in activities aimed at improving energy efficiency and increasing interest in producing energy from renewable sources, there is a need for the development of new technologies enabling the distribution network operators to offer new services and functionalities. Smart MV/LV distribution transformers are characterized by a compact three-stage design, including an...
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Electrochemical impedance spectroscopy measurements - conductivity vs. temperature and conductivity vs. oxygen partial pressure - BaCe0.6Zr0.2Y0.1Tb0.1O3-δ
Open Research DataThe dataset consists of two main catalogs consisting of measurement data: of the electrical conductivity of the BaCe0.6Zr0.2Y0.1Tb0.1O3-δ (BCZYTb) sample as a function of temperature and of the electrical conductivity as a function of oxygen partial pressure (pO2). Measurements as a function of temperature were carried out in dry and wet air (pH2O ~...
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Particulate Material Analysis in Air
PublicationThe chapter presents the methods and techniques used to asses the PM10 in air and different instruments typically used in analysis of PM, including sampling of particle by using filters and other systems. Besides the methods recommended by different national standards the other methods, especially electronic microscopy are also described.
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Density functional LCAO calculations of vibrational modes and phonon density of states in the strained single-layer phosphorene
PublicationThe paper presents an investigation of phosphorene under axial strain on the phonon density of states and vibrational modes. The studies were performed by means of density functional theory (DFT) within the linear combination of atomic orbitals (LCAO). The strained models were constructed using optimised supercell techniques. The vibrational mode spectra were estimated for strains applied for both the zigzag and armchair directions...
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Time window based features extraction from temperature modulated gas sensors for prediction of ammonia concentration
PublicationElectronic gas recognition systems, in literature commonly referred as electronic noses, enable the recognition of a type and a concentration of various volatile compounds. Typical electronic gas-analyzing device consists of four main elements, namely, gas delivery subsystem, an array of gas sensors, data acquisition and power supply circuits and data analysis software. The commercially available metal-oxide TGS sensors are widely...
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Density functional approaches to the many-body problem
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Determining and verifying the safety integrity level of the controland protection systems under uncertainty
PublicationThe probabilistic models of the electrical, electronic and programmable electronic (E/E/PE)systems, which are proposed in the IEC 61508 and IEC 61511 standards, do not cover the uncertainty aspectsof results obtained from these models. The proposed method takes into consideration the sensitivity analysisof probabilistic models of E/E/PE systems as well as the uncertainty of probabilistic results. It uses differentialfactors, which...
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Virtual Whiteboard: A gesture-controlled pen-free tool emulating school whiteboard
PublicationIn the paper the so-called Virtual Whiteboard is presented which may be an alternative solution for modern electronic whiteboards based on electronic pens and sensors. The presented tool enables the user to write, draw and handle whiteboard contents using his/her hands only. An additional equipment such as infrared diodes, infrared cameras or cyber gloves is not needed. The user's interaction with the Virtual Whiteboard computer...
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“Dilute & Shoot” approach for rapid determination of trace amounts of nicotine in zero-level e-liquids by reversed phase liquid chromatography and hydrophilic interactions liquid chromatography coupled with tandem mass spectrometry-electrospray ionization
PublicationTwo analytical procedures are proposed where HILIC and RPLC techniques are coupled with tandem mass spectrometry detection for rapid determination of trace amounts of nicotine in zero-level liquids for electronic cigarettes. Samples are prepared on the basis of the approach “dilute & shoot” which makes this important step quick and not complicated. The chromatographic separation was carried out on a Zorbax XDB column (RPLC method)...
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Monitoring of odour nuisance in the Tricity Agglomeration
PublicationThe paper describes a principle of operation of odour nuisance monitoring network, which is being designed in the Tricity Agglomeration. Moreover, it presents the preliminary results of an investigation on ambient air quality with respect to odour nuisance in a vicinity of the municipal landfill. The investigation was performed during spring-winter season using a prototype of electronic nose and the Nasal Ranger field olfactometers. The...
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Diphosphinoboranes as Intramolecular Frustrated Lewis Pairs: P–B–P Bond Systems for the Activation of Dihydrogen, Carbon Dioxide, and Phenyl Isocyanate
PublicationHerein, we present the first example of the activation of small molecules by P-B-P bond systems. The reactivity study involves reactions of two selected diphosphinoboranes, (tBu2P)2BPh (1’) and (Cy2P)2BNiPr2 (2), that differ in terms of their structural and electronic properties for the activation of dihydrogen, carbon dioxide, and phenyl isocyanate. Diphosphinoborane 1’ activates H2 under very mild conditions in the absence of...
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Structural, optical and electrochemical performance of black phosphorus and black arsenic-phosphorus nanostructures
PublicationBlack phosphorus (BP)-based nanostructures have drawn a lot of attention due to their tunable bandgap and extraordinary properties such as: high surface-to-volume ratio, large number of active sites, and prominent edges. However, low dimensional structures of black phosphorus oxidize easily, which hamper their application on a broader scale. One way to overcome these difficulties is to modify the black phosphorus structure by substituting...
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The Multiplatform Environment for Simulation and Features Estimation of Mixed-Signal Devices
PublicationThe use of simulation laboratories is gaining popularity in thedomains of engineering programs. However, the experience in teaching showsthat the simulation itself is not very effective in didactic processes. Teachingprocesses in thefield of specialist subjects, designed for students of technicaluniversities, should be based on direct operations performed by the student onreal devices. At the same time, at the later stages of didactic...
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JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
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Revenues from the sale of books in Poland (2009-2013)
Open Research DataAccording to the report "The book market in Poland 2014, the Library of Analysis", nearly 40,000 publishers were registered in Poland until mid-2013, of which it is estimated that only about 2,000-2,500 were active as publishers. According to the estimates of the authors of the Report, the value of the Polish book market in 2013 amounted to PLN 2.68...
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The publication of the European Commission's guidelines in an official language of a new Member State as a condition for their application.Case comment to the order of the Polish Supreme Court of 3 September 2009 (Ref. No. III SK 16/09) to refer a preliminary question to the Court of Justice of the European Union (C-410/99 Polska Telefonia Cyfrowa sp. z o.o. v Prezes Urzędu Komunikacji Elektronicznej)
PublicationThe case comment concentrates on two issues. In the first place, it contains an analysis of the legal character of the European Commission Guidelines on market analysis and the assessment of significant market power under the Community regulatory framework for electronic communications networks and services. Secondly, it analyses the consequences of the lack of publication of those Guidelines in Polishlanguage in the Official Journal...
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Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
PublicationRadiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...
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A prototype information system for managing and pricing e-waste
PublicationThere is no doubt that innovation drives development in all areas of human activity, including electrical and electronic equipment. However, the production of new equipment has a significant impact on the natural environment and a relatively high consumption of natural resources. To address these issues, the circular economy has been implemented in recent years by promoting and introducing numerous measures to facilitate the recycling...
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Radar Signal Parameters Estimation Using Phase Accelerogram in the Time-Frequency Domain
PublicationRadar signal parameter estimation, in the context of the reconstruction of the received signal in a passive radar utilizing other radars as a source of illumination, is one of the fundamental steps in the signal processing chain in such a device. The task is also a crucial one in electronic reconnaissance systems, e.g. ELINT (Electronic Intelligence) systems. In order to obtain accurate results it is important to measure, estimate...