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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublikacjaGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
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Pyrrole bearing diazocrowns: Selective chromoionophores for lead(II) optical sensing
PublikacjaDiazocrowns of 18-, 21- and 23-membered rings with pyrrole residue as a part of macrocycle were for the first time used as chromoionophores in lead(II) selective optodes. Sensing properties of optodes depend on the type of macrocycle, namely its size and the type of linker: oligoether or hydrocarbon chain. The best results were obtained for optode bearing 18-membered crown with oligoether linker showing linear response range of...
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Temperature Coefficient of Electronic Polarizability in Thin Polymer Films Deposited on Si and SiO2 Substrates Determined via Spectroscopic Ellipsometry
PublikacjaEllipsometry is widely used to determine the thermo-optical properties of thin polymer films. However, if the thermo-optic coefficient (TOC) and the linear thermal expansion coefficient (LTEC) are to be used to determine the temperature coefficient of electronic polarizability (TCEP) in thin polymer films, their values must be determined with the greatest possible accuracy, as both have the opposite effect. In this article,...
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Fractional Spectral and Fractional Finite Element Methods: A Comprehensive Review and Future Prospects
PublikacjaIn 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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Evolutionary Algorithms in MPLS network designing
PublikacjaMPLS technology become more and more popular especially in core networks giving great flexibility and compatibility with existing Internet protocols. There is a need to optimal design such networks and optimal bandwidth allocation. Linear Programming is not time efficient and does not solve nonlinear problems. Heuristic algorithms are believed to deal with these disadvantages and the most promising of them are Evolutionary Algorithms....
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Determination of Butyltin Species in Sea Water Samples Using Solid Phase Extraction Followed by Liquid Chromatography - Tandem Mass Spectrometry
PublikacjaReverse phase liquid chromatography (RP-HPLC)-electrospray ionization-tandem mass spectrometry (ESI-MS-MS) was evaluated for the analysis of TBT using solid phase extraction as sample preparation method. TBT was extracted from acidified water samples (spiked with tripropyltin as internal standard) using reversed phase polymeric Strata-X cartridges. Analytes were eluted from cartridges using acetonitrile-water mixture and the volume...
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Accuracy, Memory and Speed Strategies in GPU-based Finite-Element Matrix-Generation
PublikacjaThis paper presents strategies on how to optimize GPU-based finite-element matrix-generation that occurs in the finite-element method (FEM) using higher order curvilinear elements. The goal of the optimization is to increase the speed of evaluation and assembly of large finite-element matrices on a single GPU (Graphics Processing Unit) while maintaining the accuracy of numerical integration at the desired level. For this reason,...
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A Self-Equalized Waveguide Filter With Frequency-Dependent (Resonant) Couplings
PublikacjaThis letter presents a design of a fifth-order linear phase filter with frequency-dependent couplings. The filter is composed of a triplet that is directly coupled to two resonators at the input and output. To provide group delay flattening a cross-coupling in the trisection has a strongly dispersive character with a negative slope parameter. To achieve this, an E-plane stub with a septum was used. To further improve the filter...
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Impact of diffusion coefficient averaging on solution accuracy of the 2D nonlinear diffusive wave equation for floodplain inundation
PublikacjaIn the study, the averaging technique of diffusion coefficients in the two-dimensional nonlinear diffusive wave equation applied to the floodplain inundation is presented. As a method of solution, the splitting technique and the modified finite element method with linear shape functions are used. On the stage of spatial integration, it is often assumed that diffusion coefficient is constant over element and equal to its average...
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STABILITY ANALYSIS OF A TRUSS WITH SLOPING ELASTIC BRACES
PublikacjaSteel trusses have a much greater strength and stiffness in their plane than out of their plane, and therefore should be braced against lateral deflection and twisting. Such elements like purlins apart from bearing vertical load are part of bracing that stabilize roof trusses against distortional buckling. The stability of trusses with elastic bracing was investigated in an experimental research. Braces situated at some angle measured...
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Methodology for determination of the selected mechanical properties of wood based on cutting tests
PublikacjaFrom kiln-dried spruce wood (with steam) as well as in natural conditions were randomly selected 8 samples. After determining the average dimensions, moisture content and density of the samples they have been cut on the frame sawing machine PRW15M for measurement of cutting power. Based on those results from a linear rela-tionship of cutting power versus feed per toot mechanical properties of wood such as facture toughness and...
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Photophysics of Soret-Excited Tin(IV) Porphyrins in Solution
PublikacjaThe photophysics of low-chlorin tin(IV) tetraphenylporphyrin dihydroxide, a core building block for axially substituted supramolecular tin porphyrin constructs, has been studied in a variety of hydrogen-bonding, nonpolar, and aprotic polar solvents using steady-state, nanosecond, and femtosecond time-resolved emission, and femtosecond time-resolved absorption methods. In hydrogen-bonding solvents the metalloporphyrin exists as...
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On jump conditions at non-material singular curves in the resultant shell thermomechanics
PublikacjaThe global, refined, resultant, two-dimensional (2D) balance laws of mass, linear and angular momenta, and energy as well as the entropy inequality were formulated by Pietraszkiewicz (2011) as exact implications of corresponding laws of 3D rational thermomechanics. In case of a shell with the regular base surface and all resultant surface fields differentiable everywhere on it and at any time instant, the local laws of the resultant...
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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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Functionalization of indium-tin-oxide electrodes by laser-nanostructured gold thin films for biosensing applications
Publikacjaof a relatively large area formed by pulsed laser nanostructuring of thin gold films arereported and discussed. The SEM inspection of modified electrodes reveals the presence of the nearlyspherical and disc-shaped particles of dimensions in the range of 40–120 nm. The NP-array geometry canbe controlled by selection of the laser processing conditions. It is shown that particle size and packingdensity of the array are important factors...
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Comparison of the Measurement Techniques Employed for Evaluation of Ambient Air Odour Quality Influenced by Operation of Industrial Sewage Treatment Plant
PublikacjaThe paper presents the results of investigation on ambient air quality evaluation with respect to concentration of odorants in a vicinity of a sewage treatment plant of the LOTOS Group S.A. petroleum plant. The investigation was performed during winter season using a prototype of electronic nose and the Nasal Ranger field olfactometers. The prototype was equipped with a set of six semiconductor sensors by FIGARO Co. and one PID-type...
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A Mesh Deformation Technique Based on Solid Mechanics for Parametric Analysis of High-Frequency Devices With 3-D FEM
PublikacjaIn this paper, a versatile technique for mesh defor- mation is discussed, targeted at the electromagnetic (EM) field simulation of high-frequency devices using the 3-D finite element method (FEM). The approach proposed applies a linear elasticity model to compute the displacements of the internal mesh nodes in 3-D when the structure geometry is changed. The technique is compared with an alternative approach...
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Fast High-Impedance Spectroscopy Method Using SINC Signal Excitation
PublikacjaIn this paper the method of fast impedance spectroscopy of technical objects with high impedance (|Zx| > 1 Gohm) is evaluated by means of simulation and practical experiment. The method is based on excitation of an object with a sinc signal and sampling response signals proportional to current flowing through and voltage across the measured impedance. The object impedance spectrum is obtained with use of continuous Fourier transform...
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Influence of pyrolysis atmosphere on the lithium storage properties of carbon-rich polymer derived SiOC ceramic anodes
PublikacjaPolymer derived carbon-rich SiOC ceramics are prepared from polysiloxane precursors through a pyrolysis process at 1000 °C using pure argon and argon/hydrogen mixture as pyrolysis atmosphere. The precursor is synthesized from a linear (Si–H)-containing polysiloxane cross-linked with divinylbenzene using hydrosilylation reaction in the presence of a platinum catalyst. Pyrolysis in Ar/H2 mixtures, compared to the treatment under...
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Frequency Guided Generalized Adaptive Notch Filtering - Tracking Analysis and Optimization
PublikacjaGeneralized adaptive notch filters (GANFs) are estimators of coefficients of quasi-periodically time-varying systems, encountered e.g., in RF applications when Doppler effect takes place. Current state of the art GANFs can deliver highly accurate estimates of system variations’ frequency, but underperform in terms of accuracy of system coefficient estimates. The paper proposes a novel multistage GANF with improved coefficient...
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Eqiuitable coloring of corona products of cubic graphs is harder than ordinary coloring
PublikacjaA graph is equitably k-colorable if its vertices can be partitioned into k independent sets in such a way that the number of vertices in any two sets differ by at most one. The smallest k for which such a coloring exists is known as the equitable chromatic number of G. In this paper the problem of determinig the equitable coloring number for coronas of cubic graphs is studied. Although the problem of ordinary coloring of coronas...
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Investigating Feature Spaces for Isolated Word Recognition
PublikacjaThe study addresses the issues related to the appropriateness of a two-dimensional representation of speech signal for speech recognition tasks based on deep learning techniques. The approach combines Convolutional Neural Networks (CNNs) and time-frequency signal representation converted to the investigated feature spaces. In particular, waveforms and fractal dimension features of the signal were chosen for the time domain, and...
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Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublikacjaThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
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On-line assessment of oil quality during deep frying using an electronic nose and proton transfer reaction mass spectrometry
PublikacjaWe describe a novel method for the quality assessment of oil utilized for deep frying. The method is based on the analysis of frying fumes using a custom electronic nose. The quality score could be obtained after less than 3 min of analysis and without interrupting the frying process or sampling the oil directly. The obtained results were correlated with the peroxide value using a multivariate linear regression model. The most...
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Stability analysis of interconnected discrete-time fractional-order LTI state-space systems
PublikacjaIn this paper, a stability analysis of interconnected discrete-time fractional-order (FO) linear time-invariant (LTI) state-space systems is presented. A new system is formed by interconnecting given FO systems using cascade, feedback, parallel interconnections. The stability requirement for such a system is that all zeros of a non-polynomial characteristic equation must be within the unit circle on the complex z-plane. The obtained...
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A miniaturized solid-contact potentiometric multisensor platform for determination of ionic profiles in human saliva
PublikacjaThis paper describes a miniaturized multisensor platform (MP-ISES) consisting of electrodes: a reference one (RE) and ion-selective electrodes (ISEs) for monitoring Na+, K+, Ca2+, Mg2+, Cl−, and SCN− ions and pH in human saliva. Gold electrode surface was modified by deposition of two layers: electrosynthesized PEDOT:PSS forming an intermediate layer, and ion-selective membrane. The developed ISEs were characterized by a wide linear...
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Optical-Fiber Microsphere-Based Temperature Sensors with ZnO ALD Coating—Comparative Study
PublikacjaThis study presents the microsphere-based fiber-optic sensor with the ZnO Atomic Layer Deposition coating thickness of 100 nm and 200 nm for temperature measurements. Metrological properties of the sensor were investigated over the temperature range from 100 °C to 300 °C, with a 10 °C step. The interferometric signal was used to monitor the integrity of the microsphere and its attachment to the connecting fiber. For the sensor...
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DETERMINATION OF THE EFFECT OF ENVIRONMENTAL FACTORS ON THE CORROSION OF WATER DISTRIBUTION SYSTEM BASED ON ANALYSIS OF ON-LINE CORROSION MONITORING RESULTS
PublikacjaCorrosion of water distribution system is a significant issue causing problems with quality, safety and continuity of distribution. The changes of corrosion rates of the water distribution systems in Cracow made of carbon steel were investigated by analysis of online corrosion monitoring system results. Corrosion rates were determined using the linear polarization method. The impact of rain, temperatures, conductivity, dissolved...
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On the Dynamics of a Visco–Piezo–Flexoelectric Nanobeam
PublikacjaThe fundamental motivation of this research is to investigate the effect of flexoelectricity on a piezoelectric nanobeam for the first time involving internal viscoelasticity. To date, the effect of flexoelectricity on the mechanical behavior of nanobeams has been investigated extensively under various physical and environmental conditions. However, this effect as an internal property of materials has not been studied when the...
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Simplified approach to assess the dynamic response of a container ship subjected to bow slamming load
PublikacjaSimplified approach to assess the dynamic response of a container ship subjected to the bow slamming load, resulting in a transient vibratory response, typically called a 'whip-ping', is presented. The accurate numerical modelling is very complex and involves cou-pling of the hydrodynamic and structural solution at every time step, leading to huge com-putational and workload cost. Thus, the one-way coupling methodology is adopted,...
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APPLICATION OF ULTRAFAST GAS CHROMATOGRAPHY TO RECOGNIZE ODOR NUISANCE
PublikacjaPotentialities of ultrafast gas chromatography applied to periodical monitoring of odor nuisance originating from a municipal landfill have been examined. The results of investigation on classification of the atmospheric air samples collected in a vicinity of the landfill during winter and summer season have been presented. The investigation was performed using ultrafast gas chromatography of Fast/Flash GC type HERACLES II by Alpha...
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Fully bio-based poly(propylene succinate) synthesis and investigation of thermal degradation kinetics with released gases analysis
PublikacjaOne of the most important information about polyesters is their thermal stability and phase transition tem- peratures. These characteristics give information about the promising behavior of the polyester during proces- sing. In this work, linear bio-based polyester polyols were prepared with the use of succinic acid and 1.3- propanediol (both with natural origin). As a polycondensation catalyst was used tetraisopropyl orthotitanate...
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Standard of living in Poland at regional level - classification with Kohonen self-organizing maps
PublikacjaThe standard of living is spatially diversified and its analyzes enable shaping regional policy. Therefore, it is crucial to assess the standard of living and to classify regions due to their standard of living, based on a wide set of determinants. The most common research methods are those based on composite indicators, however, they are not ideal. Among the current critiques moved to the use of composite...
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Improved Uniform Sampling in Constrained Domains for Data-Driven Modelling of Antennas
PublikacjaData-driven surrogate modelling of antenna structures is an attractive way of accelerating the design process, in particular, parametric optimization. In practice, construction of surrogates is hindered by curse of dimensionality as well as wide ranges of geometry parameters that need to be covered in order to make the model useful. These difficulties can be alleviated by constrained performance-driven modelling with the surrogate...
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Electron scattering from tin tetrachloride (SnCl4) molecules
PublikacjaAbsolute grand-total cross section (TCS) for electron scattering from a tin tetrachloride, SnCl4, molecule was measured at electron-impact energies ranging from 0.6 to 300 eV, in the linear electron-transmission experiment. The measured TCS energy dependence shows two very pronounced enhancements peaking near 1.2 eV and around 9.5 eV, separated with a deep minimum centered close to 3 eV. The low energy structure is attributed to...
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An Automatic Self-Tuning Control System Design for an Inverted Pendulum
PublikacjaA control problem of an inverted pendulum in the presence of parametric uncertainty has been investigated in this paper. In particular, synthesis and implementation of an automatic self-tuning regulator for a real inverted pendulum have been given. The main cores of the control system are a swing-up control method and a stabilisation regulator. The first one is based on the energy of an inverted pendulum, whereas the second one...
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Electrochemical detection of 4,4',5,5'-tetranitro-1H,1'H-2,2'-biimidazole on boron-doped diamond/graphene nanowall electrodes
PublikacjaWe present a promising approach to the electroanalytical detection of a specific nitroaromatic explosive in landfill leachates (LLs) that originated from a municipal solid waste plant. The paper is focused but not limited to the sensing of 4,4',5,5'-tetranitro-1H,1'H-2,2'-biimidazole (TNBI) using differential pulse voltammetry and cyclic voltammetry. Highly electroactive nanocarbon was applied to determine low concentrations of...
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Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
PublikacjaThe multi-mode multi-state vibronic interactions in the set of X^2B_1 - D^2A_1 electronic states of the monofluoro benzene radical cation are investigated theoretically, based on a quadratic vibronic coupling approach. The underlying ionization potentials and coupling constants are obtained from ab initio coupled-cluster calculations. Previous investigations (relying on the linear coupling approach) are extended by including all...
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Programmable Input Mode Instrumentation Amplifier Using Multiple Output Current Conveyors
PublikacjaIn this paper a programmable input mode instrumentation amplifier (IA) utilising second generation, multiple output current conveyors and transmission gates is presented. Its main advantage is the ability to choose a voltage or current mode of inputs by setting the voltage of two configuration nodes. The presented IA is prepared as an integrated circuit block to be used alone or as a sub-block in a microcontroller or in a field...
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Seismic pounding behavior of multi-story buildings in series considering the effect of infill panels
PublikacjaThe aim of the present paper is to study the influence of the infill panels on the seismic pounding response of adjacent structures in series. The contribution of the masonry infill has been simulated using equivalent diagonal compression struts. Steel frames have been assumed to have elastic-plastic behavior with 1% linear strain hardening. The dynamic contact analysis has been utilized where contact surface model (target and...
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Wild oscillations in a nonlinear neuron model with resets: (I) Bursting, spike-adding and chaos
PublikacjaIn a series of two papers, we investigate the mechanisms by which complex oscillations are generated in a class of nonlinear dynamical systems with resets modeling the voltage and adaptation of neurons. This first paper presents mathematical analysis showing that the system can support bursts of any period as a function of model parameters, and that these are organized in a period-incrementing structure. In continuous dynamical...
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Autonomous port management based AGV path planning and optimization via an ensemble reinforcement learning framework
PublikacjaThe rapid development of shipping trade pushes automated container terminals toward the direction of intelligence, safety and efficiency. In particular, the formulation of AGV scheduling tasks and the safety and stability of transportation path is an important part of port operation and management, and it is one of the basic tasks to build an intelligent port. Existing research mainly focuses on collaborative operation between...
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Models of using the Internet by young Poles and their social capital.
PublikacjaHighlights • Study examining Polish youth on internet usage styles. • Online communication is the most common form of spending time on the Internet. •...
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Buried Object Characterization by Data-Driven Surrogates and Regression-Enabled Hyperbolic Signature Extraction
PublikacjaThis work addresses artificial-intelligence-based buried object characterization using FDTD-based electromagnetic simulation toolbox of a Ground Penetrating Radar (GPR) to generate B-scan data. In data collection, FDTD-based simulation tool, gprMax is used. The task is to estimate geophysical parameters of a cylindrical shape object of various radii, buried at different positions in the dry soil medium simultaneously and independently...
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Topological behavior mimicking ethylene–hexene copolymers using branched lactones and macrolactones
PublikacjaPolyolefins are of paramount importance in the world of polymers due to their technological and economic potential.1 However, their nonpolar character significantly restricts the compatibility and adhesion properties, which consequently limits their versatility. Moreover, an intensified demand for materials from renewable resources can also become a problematic venture for the current polyolefin industry.2 Although Braskem and...
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Badania połączeń spawanych rurociągu wody pitnej we Włocławku, ang. Welding joints tests in drinking water pipeline.
PublikacjaCelem badań opisanych w pracy było określenie przyczyn korozji powstałej w strefie wpływu ciepła (SWC) w obwodowych połączeniach spawanych w rurociągu wody pitnej. Materiałem, z którego wykonano rurociąg to stal 304/304L. W obszarze złącza spawanego stwierdzono wżery inicjowane od niezgodności geometrycznych, gdzie mogły gromadzić się osady zwiększające udział chlorków bezpośrednio przy powierzchni rury, promujące tym procesy korozyjne....
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Badanie dynamiki platform pływających morskich turbin wiatrowych z zastosowaniem metod numerycznej mechaniki płynów
PublikacjaPraca dotyczy badania ruchu platform pływających pod morskie turbiny wiatrowe. Przedstawiono w niej główne metody obliczeń i przedyskutowano ich zastosowanie. Na przykładzie koncepcji konstrukcji 3-kolumnowej platformy typu Spar przedstawiono metodykę wykonywania obliczeń z zastosowaniem programu AQWA opartego na metodzie dyfrakcyjnej, rozszerzonego o współczynniki wynikające z lepkości wyznaczone za pomocą obliczeń RANSE-CFD....
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Wieloobszarowa regulacja systemu turbogeneratora elektrowni jądrowej =Multiregional control of nuclear power plant turbogenerator system
PublikacjaW artykule przedstawiono propozycję zaawansowanej struktury sterowania układem turbogeneratora w szerokim zakresie zmian zapotrzebowania na moc czynną. Dla potrzeb syntezy tej struktury wykorzystano nieliniowe, dynamiczne modele turbiny parowej i generatora synchronicznego współpracującego z systemem elektroenergetycznym. Zaproponowane algorytmy sterowania oparte są odpowiednio o wieloobszarowe regulatory rozmyte, z lokalnymi regulatorami...
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Comparison of different one-parameter damage laws and local stress-strain approaches in multiaxial fatigue life assessment of notched components
PublikacjaThis paper aims to compare the predictive capabilities of different one-parameter damage laws and local stress-strain approaches to assess the fatigue lifetime in notched components subjected to proportional bending-torsion loading. The tested fatigue damage parameters are defined using well-known stress-based, strain-based, SWT-based and energy-based relationships. Multiaxial cyclic plasticity at the notch-controlled process zone...
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Strain-dependent behaviour of cold recycled material mixtures in cyclic compression tests
PublikacjaThe purpose of the study is to evaluate strain-dependent behaviour of Cold Recycled Material (CRM) mixtures using three frameworks typically applied for Hot Mix Asphalt (HMA): linear viscoelastic (LVE) limits; non-linearity directions; changes in rheological model parameters. To this aim, the complex modulus of three CRM mixtures with different bitumen-to-cement ratio (0.2, 0.6 and 1.8) was measured in cyclic compression mode,...