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Wyniki wyszukiwania dla: computational analysis
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Expedited Design Closure of Antenna Input Characteristics by Trust Region Gradient Search and Principal Component Analysis
PublikacjaOptimization-based parameter tuning has become an inherent part of contemporary antenna design process. For the sake of reliability, it is typically conducted at the level of full-wave electromagnetic (EM) simulation models. This may incur considerable computational expenses depending on the cost of an individual EM analysis, the number of adjustable variables, the type of task (local, global, single-/multi-objective optimization),...
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Extending Service Selection Algorithms with Interoperability Analysis
PublikacjaApplication development by integration of existing, atomic services reduces development cost and time by extensive reuse of service components. In Service Oriented Architecture, there exist alternative versions of services supplying the same functionality but differing in Quality of Service (QoS) attributes, which enables developers to select services with optimal QoS. Existing algorithms of service selection focus on the formal...
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Complexity analysis of the Pawlak’s flowgraph extension for re-identification in multi-camera surveillance system
PublikacjaThe idea of Pawlak’s flowgraph turned out to be a useful and convenient container for a knowledge of objects’ behaviour and movements within the area observed with a multi-camera surveillance system. Utilization of the flowgraph for modelling behaviour admittedly requires certain extensions and enhancements, but it allows for combining many rules into a one data structure and for obtaining parameters describing how objects tend...
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Using a computational model to compare objective negotiations in real and virtual environments
PublikacjaZaprezentowano obliczeniowy model negocjacji uwzględniający warunki początkowe, przebieg negocjacji i wyniki negocjacji. Przedstawiono komputerowy system wspomagający rejestrację przebiegu negocjacji i ich wyników oraz analizę negocjacji zgodną z proponowanym modelem.
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Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublikacjaAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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The computational complexity of the backbone coloring problem for planar graphs with connected backbones
PublikacjaIn the paper we study the computational complexity of the backbone coloring problem for planar graphs with connected backbones. For every possible value of integer parameters λ≥2 and k≥1 we show that the following problem: Instance: A simple planar graph GG, its connected spanning subgraph (backbone) HH. Question: Is there a λ-backbone coloring c of G with backbone H such that maxc(V(G))≤k? is either NP-complete or polynomially...
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Computational issues of solving the 1D steady gradually varied flow equation
PublikacjaIn this paper a problem of multiple solutions of steady gradually varied flow equation in the form of the ordinary differential energy equation is discussed from the viewpoint of its numerical solution. Using the Lipschitz theorem dealing with the uniqueness of solution of an initial value problem for the ordinary differential equation it was shown that the steady gradually varied flow equation can have more than one solution....
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Computational Model of Time for Stiff Hybrid Systems Applied to Control Synthesis
PublikacjaComputational representation.
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Experimental and computational study on mechanical behaviour of carpentry corner log joints
PublikacjaThis work concerns experimental and numerical research on carpentry joints used in historic wooden buildings in southeastern Poland and western Ukraine. These structures are mainly sacred buildings, and the types of corner log joints characteristic of this region are primarily saddle-notch and dovetail joints; thus, these two types of joints were analysed in this study. The modelling of historic timber structures is a complex...
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Contact with coupled adhesion and friction: Computational framework, applications, and new insights
PublikacjaContact involving soft materials often combines dry adhesion, sliding friction, and large deformations. At the local level, these three aspects are rarely captured simultaneously, but included in the theoretical models by Mergel et al., (2019). We here develop a corresponding finite element framework that captures 3D finite-strain contact of two deformable bodies. This framework is suitable to investigate sliding friction even...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublikacjaThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Galerkin formulations with Greville quadrature rules for isogeometric shell analysis: Higher order elements and locking
PublikacjaWe propose new Greville quadrature schemes that asymptotically require only four in-plane points for Reissner-Mindlin (RM) shell elements and nine in-plane points for Kirchhoff-Love (KL) shell elements in B-spline and NURBS-based isogeometric shell analysis, independent of the polynomial degree of the elements. For polynomial degrees 5 and 6, the approach delivers high accuracy, low computational cost, and alleviates membrane and...
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Reliability-Based Stability Analysis of a Baltic Cliff by the Combined Response Surface Method
PublikacjaA simple, straightforward computational procedure was proposed, incorporating the Response Surface Method (RSM) linked with the standard Monte Carlo (MC) simulation method and the Point Estimate Method (PEM). PEM samples make it possible to analyse the sensitivity of the cliff’s stability to variation in subsoil parameters and to reduce the number of random variables of the problem. The proposed methods were tested in two cases:...
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Efficient Fabry-Perot Open Resonator Analysis by the use of a Scattering Matrix Method
PublikacjaIn this paper a comparative study of the computational efficiency of two modeling methods applied to the analysis of the plano- and double-concave Fabry-Perot open resonators is presented. In both numerical approaches, a scattering matrix method was applied, which allows splitting the analysis of the resonator into several sections, including the one with a spherical mirror, which requires the largest computing resources. Two modeling...
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Variable Resolution Machine Learning Optimization of Antennas Using Global Sensitivity Analysis
PublikacjaThe significance of rigorous optimization techniques in antenna engineering has grown significantly in recent years. For many design tasks, parameter tuning must be conducted globally, presenting a challenge due to associated computational costs. The popular bio-inspired routines often necessitate thousands of merit function calls to converge, generating prohibitive expenses whenever the design process relies on electromagnetic...
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Residue-Pole Methods for Variability Analysis of S-parameters of Microwave Devices with 3D FEM and Mesh Deformation
PublikacjaThis paper presents a new approach for variability analysis of microwave devices with a high dimension of uncertain parameters. The proposed technique is based on modeling an approximation of system by its poles and residues using several modeling methods, including ordinary kriging, Adaptive Polynomial Chaos (APCE), and Support Vector Machine Regression (SVM). The computational cost is compared with the traditional Monte-Carlo...
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems.
PublikacjaFluid–structure interaction technique seems to be one of the most promising possibilities for theoretical analysis of lubrication problems. It allows coupling of different physical fields in one computational task, taking into account the interaction between them. In this article, two sets of fluid–structure interaction analyses focusing on the bearing performance evaluation are presented. One analysis was applied to a water-lubricated...
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Efficient Analysis of Noise Induced in Low-Voltage Installations Placed Inside Buildings with Lightning Protection Systems
PublikacjaThis paper describes an efficient approach to the broadband analysis of lightning protection systems (LPSs) using the method of moments (MoM) implemented in the frequency domain. The adaptive frequency sampling (AFS) algorithm, based on a rational interpolation of the relevant observable (e.g., voltage, current, electric or magnetic field) which describes the properties of the LPS, is employed to reduce the number of samples computed...
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A novel hybrid adaptive framework for support vector machine-based reliability analysis: A comparative study
PublikacjaThis study presents an innovative hybrid Adaptive Support Vector Machine - Monte Carlo Simulation (ASVM-MCS) framework for reliability analysis in complex engineering structures. These structures often involve highly nonlinear implicit functions, making traditional gradient-based first or second order reliability algorithms and Monte Carlo Simulation (MCS) time-consuming. The application of surrogate models has proven effective...
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Galerkin formulations of isogeometric shell analysis: Alleviating locking with Greville quadratures and higher-order elements
PublikacjaWe propose new quadrature schemes that asymptotically require only four in-plane points for Reissner–Mindlin shell elements and nine in-plane points for Kirchhoff–Love shell elements in B-spline and NURBS-based isogeometric shell analysis, independent of the polynomial degree p of the elements. The quadrature points are Greville abscissae associated with pth-order B-spline basis functions whose continuities depend on the specific...
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Computer-aided analysis of signals from a low-coherence Fabry-Perot interferometer used for measurements of biological samples
PublikacjaThe aim of the study was to develop an automated computer-aided system for analysis of spectrograms obtained from measurements of biological samples performed with a low-coherence Fabry-Pérot interferometer. Information necessary to determine dispersion characteristics of measured materials can be calculated from the positions of the maxima and minima that are present in their spectra. The main challenge faced during the development...
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Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublikacjaA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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Synthesis, spectroscopy and computational studies of some novelphosphorylated derivatives of quinoline-5,8-diones
PublikacjaThe neutral phosphorus nucleophiles such as R2P(=Y)M allowed the radical addition to 2-methyl-5,8-dioxo-5,8-dihydroquinoline-7-amine and N-(2-methyl-5,8-dioxo-5,8-dihydroquinolin-7-yl)acetamide giving exclusively O-phosphorylated products. All products were quantitatively prepared and characterized by microanalysis, and multinuclear NMR spectroscopy. Seven of them, have been characterized by single crystal X-ray diffraction method....
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Gradient theories of ductile and brittle damage: a thermodynamical consistent framework and computational issues
PublikacjaPrzedstawiono termodynamicznie zgodny opis gradientowych teorii plastycznego i kruchego zniszczenia. Przyjęto, że propagujące mikro-zniszczenia posiadają bezwładność i ich ruch jest wywołany przez mikro-siły, które spełniają ich własne dynamiczne równania równowagi. Poza równaniami równowagi makro- i mikro-sił sformułowano pierwsze i drugie prawo termodynamiki na poziomie mikro i mezo. Zakładając ogólną formę równań konstytutywnych...
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Consensus models: Computational complexity aspects in modern approaches to the list coloring problem
PublikacjaArtykuł poświęcony jest nowym modelom konsensusowego kolorowania grafów. Artykuł zawiera omówienie trzech takich modeli, analizę ich złożoności obliczeniowej oraz wielomianowy algorytm dla częściowych k-drzew, dla tzw. modelu addytywnego.
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The computational complexity of the backbone coloring problem for bounded-degree graphs with connected backbones
PublikacjaGiven a graph G, a spanning subgraph H of G and an integer λ>=2, a λ-backbone coloring of G with backbone H is a vertex coloring of G using colors 1, 2, ..., in which the color difference between vertices adjacent in H is greater than or equal to lambda. The backbone coloring problem is to find such a coloring with maximum color that does not exceed a given limit k. In this paper, we study the backbone coloring problem for bounded-degree...
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Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?
PublikacjaFor the last several tens of years, computer simulations have become of undeniable importance. Molecular Dynamics (MD) simulation techniques are used to examine the phenomena which occur at the level that cannot be observed directly. Thus, they can be successfully exploited in many different scientific fields such as: materials science, applied mathematics and theoretical physics, biochemistry, biophysics or drug design. Despite...
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Scheduling of identical jobs with bipartite incompatibility graphs on uniform machines. Computational experiments
PublikacjaWe consider the problem of scheduling unit-length jobs on three or four uniform parallel machines to minimize the schedule length or total completion time. We assume that the jobs are subject to some types of mutual exclusion constraints, modeled by a bipartite graph of a bounded degree. The edges of the graph correspond to the pairs of jobs that cannot be processed on the same machine. Although the problem is generally NP-hard,...
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Validation Process for Computational Model of Full-Scale Segment for Design of Composite Footbridge
PublikacjaExperimental tests and numerical simulations of a full-scale segment of a foot and cycle bridge made of polymer composites are presented in the paper. The analysed structure is made of sandwich panels, which consist of glass fibre reinforced polymer (GFRP) multi-layered laminate faces and a PET foam (obtained from recycling) core. The dimensions of the segment cross-section are the same as for the target footbridge; however, span...
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Comparative Analysis of Text Representation Methods Using Classification
PublikacjaIn our work, we review and empirically evaluate five different raw methods of text representation that allow automatic processing of Wikipedia articles. The main contribution of the article—evaluation of approaches to text representation for machine learning tasks—indicates that the text representation is fundamental for achieving good categorization results. The analysis of the representation methods creates a baseline that cannot...
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Topological-numerical analysis of a two-dimensional discrete neuron model
PublikacjaWe conduct computer-assisted analysis of a two-dimensional model of a neuron introduced by Chialvo in 1995 [Chaos, Solitons Fractals 5, 461–479]. We apply the method of rigorous analysis of global dynamics based on a set-oriented topological approach, introduced by Arai et al. in 2009 [SIAM J. Appl. Dyn. Syst. 8, 757–789] and improved and expanded afterward. Additionally, we introduce a new algorithm to analyze the return times...
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Global Complex Roots and Poles Finding Algorithm Based on Phase Analysis for Propagation and Radiation Problems
PublikacjaA flexible and effective algorithm for complex roots and poles finding is presented. A wide class of analytic functions can be analyzed, and any arbitrarily shaped search region can be considered. The method is very simple and intuitive. It is based on sampling a function at the nodes of a regular mesh, and on the analysis of the function phase. As a result, a set of candidate regions is created and then the roots/poles are verified...
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Efficient model order reduction for FEM analysis of waveguide structures and resonators
PublikacjaAn efficient model order reduction method for three-dimensional Finite Element Method (FEM) analysis of waveguide structures is proposed. The method is based on the Efficient Modal Order Reduction (ENOR) algorithm for creating macro-elements in cascaded subdomains. The resulting macro-elements are represented by very compact submatrices, leading to significant reduction of the overall number of unknowns. The efficiency of the model...
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Computational investigations of acoustic radiation from end shields of small-power electric motor
PublikacjaW artykule omówiono rozwój metod modelowania własności akustycznych maszyn elektrycznych. Wskazano na pomijalny dotąd, znaczący udział drgań tarcz łożyskowych w emitowaniu hałasu przez silniki małej mocy. Na podstawie równania falowego potencjału prędkości wyprowadzono analityczne formuły do obliczeń akustycznych w polu bliskim tarczy łożyskowej. Zamieszczono uzyskane z serii obliczeń dla pracującego silnika, rozkłady ciśnienia...
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Computational examination of Jeffrey nanofluid through a stretchable surface employing Tiwari and Das model
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Synthesis, Pharmacological Evaluation, and Computational Studies of Cyclic Opioid Peptidomimetics Containing β3-Lysine
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Efficient knowledge-based optimization of expensive computational models using adaptive response correction
PublikacjaComputer simulation has become an indispensable tool in engineering design as they allow an accurate evaluation of the system performance. This is critical in order to carry out the design process in a reliable manner without costly prototyping and physical measurements. However, high-fidelity computer simulations are computationally expensive. This turns to be a fundamental bottleneck when it comes to design automation using numerical...
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublikacjaDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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Computational modeling of molecularly imprinted polymers as a green approach to the development of novel analytical sorbents
PublikacjaThe development of novel molecularly imprinted polymers (MIP) sorbents for specific chemical compounds require a lot of tedious and time-consuming laboratory work. Significant quantities of solvents and reagents are consumed in the course of the verification of appropriate configurations of polymerization reagents. Implementation of molecular modeling in the MIP sorbent development process appears to provide a solution to this...
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The computational methods in the development of a novel multianalyte calibration technique for potentiometric integrated sensors systems
PublikacjaIn recent years, integration and miniaturization of ion-selective electrodes (ISEs) have brought many benefits resulting in the possibility of simultaneous determination of the ions concentration in small volume samples. One of the key problems related to the preparation of potentiometric integrated sensors systems (PISSs) is a calibration procedure due to the necessity to calibrate each particular sensor separately. The main aim...
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Modeling of truss with cold-formed section and positive eccentricity in the node
PublikacjaThis work is dedicated to establishing the load carrying capacity of tensed and compressed truss’ nodes made of cold-formed open cross sections. The occurrence of bending in the truss’ nodes is the result of a specific production technology for system lattice girders assumed by the designer and the producer. The aim of this research is to present the methodology of conduct for creation of computational models that best depict the...
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Effect of surface on the flexomagnetic response of ferroic composite nanostructures; nonlinear bending analysis
PublikacjaOur analysis incorporates the geometrically nonlinear bending of the Euler-Bernoulli ferromagnetic nanobeam accounting for a size-dependent model through assuming surface effects. In the framework of the flexomagnetic phenomenon, the large deflections are investigated referring to von-Kármán nonlinearity. Employing the nonlocal effects of stress coupled to the gradient of strain generates a scale-dependent Hookean stress-strain...
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Numerical analysis of the ostiomeatal complex aeration using the CFD method
PublikacjaWe aimed to analyse ostiomeatal complex (OMC) aeration using the computational fluid dynamics (CFD) method of simulation based on human craniofacial computed tomography (CT) scans. The analysis was based on CT images of 2 patients: one with normal nose anatomy and one with nasal septal deviation (NSD). The Reynolds-Average Simulation approach and turbulence model based on linear eddy viscosity supplemented with the two-equation...
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Neural Network-Based Sequential Global Sensitivity Analysis Algorithm
PublikacjaPerforming global sensitivity analysis (GSA) can be challenging due to the combined effect of the high computational cost, but it is also essential for engineering decision making. To reduce this cost, surrogate modeling such as neural networks (NNs) are used to replace the expensive simulation model in the GSA process, which introduces the additional challenge of finding the minimum number of training data samples required to...
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Multilevel model order reduction with generalized compression of boundaries for 3-d FEM electromagnetic analysis
PublikacjaThis paper presents a multilevel Model Order Reduction technique for a 3-D electromagnetic Finite Element Method analysis. The reduction process is carried out in a hierarchical way and involves several steps which are repeated at each level. This approach brings about versatility and allows one to efficiently analyze complex electromagnetic structures. In the proposed multilevel reduction the entire computational domain is covered...
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A unified approach to the analysis of electric energy and fuel consumption of cars in city traffic
PublikacjaForecasting fuel and electricity consumption is an important factor determining the direction of changes in road engineering solutions, traffic management, selection of routes for public transport and development more efficient car drive systems. With a reliable and easy-to-use computational tool, it is possible to reduce the consumption of primary energy sources and reduce the emission of toxic compounds in cities. An analysis...
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DESIGN ANALYSIS OF HYBRID GAS TURBINE - FUEL CELL POWER PLANT IN STATIONARY AND MARINE APPLICATIONS
PublikacjaThe paper concerns design analysis of a hybrid gas turbine power plant with a fuel cell (stack). The aim of this work was to find the most favorable variant of the medium capacity (approximately 50 MW) hybrid system. In the article, computational analysis of two variants of such a system was carried out. The analysis let to calculate capacity, efficiency of both variants and other parameters like flu gas temperature. The paper...
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Analysis of the possibilities in railways shape assessing using GNSS mobile measurements
PublikacjaIn recent years, a dynamic development of satellite positioning techniques using both static and mobile GNSS coordinates register mode can be observed. In addition, still developing Real-time GNSS Networks, post-processing algorithms and another measurement signal analysis algorithms, make the satellite measurements increasingly used in railway industry sector. In the article the possibilities which follows from the mobile satellite...