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Search results for: DYNAMIC INDENTATION
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Optical method supported by machine learning for dynamics of C‐reactive protein concentrations changes detection in biological matrix samples
PublicationIn this article we present the novel spectroscopy method supported with machine learning for real-time detection of infectious agents in wastewater. In the case of infectious diseases, wastewater monitoring can be used to detect the presence of inflammation biomarkers, such as the proposed C-reactive protein, for monitoring inflammatory conditions and mass screening during epidemics for early detection in communities of concern,...
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Fully Automated AI-powered Contactless Cough Detection based on Pixel Value Dynamics Occurring within Facial Regions
PublicationIncreased interest in non-contact evaluation of the health state has led to higher expectations for delivering automated and reliable solutions that can be conveniently used during daily activities. Although some solutions for cough detection exist, they suffer from a series of limitations. Some of them rely on gesture or body pose recognition, which might not be possible in cases of occlusions, closer camera distances or impediments...
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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublicationGlycosaminoglcyans (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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A compartment model of alveolar–capillary oxygen diffusion with ventilation–perfusion gradient and dynamics of air transport through the respiratory tract
PublicationThis paper presents a model of alveolar–capillary oxygen diffusion with dynamics of air transport through the respiratory tract. For this purpose electrical model representing the respiratory tract mechanics and differentia equations representing oxygen membrane diffusion are combined. Relevant thermodynamic relations describing the mass of oxygen transported into the human body are proposed as the connection between these models,...
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Dynamic Behavior of Aluminum Alloy Aw 5005 Undergoing Interfacial Friction and Specimen Configuration in Split Hopkinson Pressure Bar System at High Strain Rates and Temperatures
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Critical perspectives on media architecture: is it still possible to design projects without negatively affecting urban nighttime environments and will the future remain dynamic, bright and multi-colored?
PublicationNowadays, due to advances in electrical devices, new digital media, lighting, information and communication technologies, cities are being used 24/7. The paper discusses critical aspects of Media Architecture in the context of public spaces as well as urban nighttime environments from the perspective of a practising lighting architect. The author examines recent issues of negative design approaches and presents proposals for improving...
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The Meeting Centre Support Programme: International Evaluation of a Dyadic Intervention in Dementia
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Gains selection of non-proportional observers of an induction motor with dyadic methods
PublicationThe paper presents issues related to calculation of gains of non-proportional observers of magnetic fluxes of an induction motor. A transformation is discussed, based on dyadic matrices, that affords possibility of applying well-known methods used in single-output systems to observers of multi-output systems. The impact of dyadic transformation on possibility of poles placement of the observer is analyzed....
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Wavepacket of the Universe and its Spreading
PublicationWavepackets in quantum mechanics spread and the Universe in cosmology expands. We discuss a formalism where the two effects can be unified. The basic assumption is that the Universe is determined by a unitarily evolving wavepacket defined on space-time. Space-time is static but the Universe is dynamic. Spreading analogous to expansion known from observational cosmology is obtained if one regards time evolution as a dynamical process...
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SU‐GG‐T‐286: Performance of An Improved Optical Computed Tomography Polymer Gel Dosimeter System for 3‐D Dose Verification of Static and Dynamic Phantom Deliveries
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Corrosion behaviour of low carbon steel in artificial seawater using TP, LP, EIS, Harmonic Analysis (HA) and new method Dynamic Electrochemical Impedance Spectroscopy (DEIS)
PublicationZe względu na istotną rolę technik elektrochemicznych w badaniach procesów korozyjnych są one szeroko stosowane w monitorowaniu korozji. Celem niniejszej pracy jest zgromadzenie rezultatów wyników doświadczalnych uzyskanych różnymi technikami i znalezienie korelacji między nimi. Własności korozyjne stali stopowej (AISI 1026) w sztucznej wodzie morskiej zostały zbadane z wykorzystaniem ekstrapolacji tafelowskiej (TP), polaryzacji...
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Dynamics of hepatitis B virus quasispecies heterogeneity in association with nucleos(t)ide analogue treatment determined by MALDI-TOF MS
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Tackling Air Pollution in Cities with Modelling and Simulation: Remote Group Model Building as an Educational Tool Supporting System Dynamics Modelling
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Interval estimator for chlorine monitoring in drinking water distribution systems under uncertain system dynamics, inputs and state measurement errors
PublicationThe design of interval observer for estimation of unmeasured state variables for application to drinking water distribution systems is described in this paper. In particular, it considers the design of such observer for estimation of water quality described by free chlorine concentration. An interval observer is derived to produce robust interval bounds on the estimated water quality state variables. The stability and robustness...
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Arginine-, d-arginine-vasopressin, and their inverso analogues in micellar and liposomic models of cell membrane: CD, NMR, and molecular dynamics studies
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Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins
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Structural elucidation of transmembrane transporter protein bilitranslocase: Conformational analysis of the second transmembrane region TM2 by molecular dynamics and NMR spectroscopy
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Phonon confinement and interface lattice dynamics of ultrathin high-k rare earth sesquioxide films: the case of Eu2O3 on YSZ(001)
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublicationThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Experimental and Computational Fluid Dynamics Studies on Straight and U-Bend Double Tube Heat Exchangers with Active and Passive Enhancement Methods
PublicationIn this work, the authors wanted to demonstrate the possibility to increase the heat transfer efficiency by using simple wire coil inserts to create turbulent flow in the boundary layer as well as air blowing into the annulus of the pipe. Experimental investigations were carried out for four heat exchanger constructions, i.e., plain double tube, turbulized double tube, plain U-bend double tube, U-tube with turbulator, plain double...
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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publicationabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
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Redundantly Actuated 3RRR Parallel Planar Manipulator - Numerical Analyses of its Dynamics Sensitivity on Modifications of its Platform’s Inertia Parameters
PublicationIn the paper, numerical analyses, as well as dynamics of a complex mechanism, are presented. Two objectives are crucial for the paper: inverse dynamic model is needed (dedicated to be use in the model predictive controller); an identification method is searched (some trajectory parameters are controlled, when specific trajectory is tracked under an open-loop model-based control), as selected parameters must be identified for the...
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Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad—a common structural unit of G-quadruplex DNA
PublicationG-quadruplexes (G4) are nucleic acid conformations of guanine-rich sequences, in which guanines are arranged in the square-planar G-tetrads, stacked on one another. G4 motifs form in vivo and are implicated in regulation of such processes as gene expression and chromosome maintenance. The structure and stability of various G4 topologies were determined experimentally; however, the driving forces for their formation are not fully...
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Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publicationw tej publikacji badano metodami kwantowo-chemicznymi różne strategie mechanosyntezy heksagonalnego krzemu iv. określono przybliżone warunki mechanosyntezy krzemu w formie lonsdaleitu za pomocą uhv-spm.
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Characteristics of hydration water around hen egg lysozyme as the protein model in aqueous solution. FTIR spectroscopy and molecular dynamics simulation
PublicationW niniejszej pracy przedstawiono wyniki badań dotyczące hydratacji białka modelowego - lizozymu z jaja kurzego w roztworze wodnym. Wiodącą techniką stosowaną w badaniach była spektroskopia oscylacyjna FTIR z zastosowaniem techniki rozcieńczenia izotopowego wody półciężkiej HDO w roztworze wody zwykłej. Analiza widma HDO przy pomocy "metody widm zaburzonych" pozwoliła na wyizolowanie widma wody zaburzonej przez lizozym, a tym samym...
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Long range molecular dynamics study of interactions of the eukaryotic glucosamine-6-phosphate synthase with fructose-6-phosphate and UDP-GlcNAc
PublicationGlucosamine-6-phosphate synthase (EC 2.6.1.16) is responsible for catalysis of the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5 diphospho Nacetyl- d-glucosamine (UDP-GlcNAc), is an essential substrate for assembly of bacterial and fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which...
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Influence of Nitriding and Laser Remelting on Properties of Austenitic Stainless Steel Type X10CrNi18-8 and Cavitation Erosion Resistance
PublicationThe paper presents properties of surface layers. Surface layers were obtained by using low temperature glow–discharge nitriding process and laser remelting carried out on austenitic stainless steel type X10CrNi18-8. Investigations were done by using an Ultra Nanoindentation Tester (UNHT) in the Warsaw Institute of Fundamental Technological Research. The influence of the above mentioned...
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Metoda głównych składowych w analizie wyników otrzymanych za pomocą dynamiki molekularnej
PublicationMetoda głównych składowych (ang. principal component analysis, PCA) jest jednym z najpopularniejszych statystycznych narzędzi do wielowymiarowej analizy dużego zestawu danych. Pozwala ona na przekształcenie danego zbioru wzajemnie skorelowanych cech (zmiennych) w nowy układ cech wzajemnie nieskorelowanych (tzw. głównych składowych), który jest porównywalny z układem pierwotnym - zastosowanie PCA upraszcza więc w znaczny sposób...
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Obliczeniowa dynamika płynów w analizie zagadnień smarowaniahydrodynamicznego = CFD in analysis of hydrodynamic lubrication
PublicationW pracy przedstawiono wybrane problemy związane z wykorzystaniem obliczeniowej dynamiki płynów (ang. CFD - Computational Fluid Dynamics)do obliczeń łożysk hydrodynamicznych. Omówione zostało zagadnienie przyjmowania rodzaju przepływu w analizie łożyska oraz przyjmowania warunków brzegowych dotyczących wymiany ciepła oraz problem zbieżności obliczeń.
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Właściwości otoczki hydratacyjnej wokół różnych konformacji poliseryny - analiza wyników dynamiki molekularnej
PublicationRozpuszczalnik w istotny sposób wpływa na preferencje peptydu do przyjmowania określonej struktury drugorzędowej. Przykładem tego może być fakt, iż w przypadku polialaniny stabilność konformacji helikalnej w wodzie jest niższa aniżeli w próżni, podczas gdy w przypadku poliseryny mamy do czynienia ze zjawiskiem odwrotnym. W celu lepszego zrozumienia tego zjawiska badano właściwości otoczek hydratacyjnych dookoła czterech konformacji...
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Statyka i dynamika powłok wielopłatowych. Nieliniowa teoria i metoda elementów skończonych.
PublicationW części teoretycznej monografii sformułowano ścisłe 2D powierzchniowe zasady dynamiki powłok jako wynik całkowania po grubości odpowiednich 3D zasad dynamiki ośrodka ciągłego. Odpowiadająca im 2D kinematyka powłoki jest konstruowana również ściśle na poziomie dwuwymiarowym. Przybliżenia są wprowadzane jedynie do równań konstytutywnych, które są z definicji zależnościami przybliżonymi, opartymi o badania eksperymentalne. Konsekwencją...
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Dynamika wzrostu gospodarczego a stopy procentowe w Polsce w latach 1996-2004
PublicationW pierwszej części artykułu przedstawiono teoretyczną koncepcję opisującą związki pomiędzy stopą procentową a dynamiką produktu krajowego. W drugiej części artykułu, na podstawie skonstruowanego i oszacowanego modelu, poddanoweryfikacji opisywane związki oraz przeprowadzono symulację warunkową dynamiki wzrostu produktu krajowego.
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Dynamika wód podziemnych w rejonach nadmorskich - wybrane przykłady zastosowania analizy numerycznej
PublicationAnaliza zmian zasobów wód słodkich na skutek intruzji zasolonych wód morskich wnikających do pierwszego poziomu wodonośnego obszaru ujęcia Lipce. Wpływ przekopu przez Mierzeję Wiślaną na zmiany zasobów wód słodkich.
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Wpływ osmolitów na stabilność białek w oparciu o metodę dynamiki molekularnej
PublicationCelem niniejszej pracy było zbadanie molekularnego mechanizmu wpływu biologicznie znaczących związków, tzw. osmolitów na stabilność białek. Aby zweryfikować istniejące hipotezy i dostarczyć spójnego obrazu działania osmolitów na poziomie molekularnym, wykorzystano metodę dynamiki molekularnej do zasymulowania mechanicznej denaturacji modelowych białek – lizozymu i ubikwityny. W tym podejściu odtworzony został efekt stabilizujący...
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The Effect of Openings’ Size and Location on Selected Dynamical Properties of Typical Wood Frame Walls
PublicationThe wooden frame constructions are now popular in many developed countries of the world. Many of these locations where such buildings are constructed are exposed to seismic and other shocks which are generated by human activities. This paper discusses the effect of the size and location of openings in the wooden frame walls under dynamic loadings. Natural frequencies of such frames with and without openings have been determined....
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Laboratoryjne badania dynamiki przepływu jako element dootrzewnowej perfuzyjnej chemioterapii w hipertermii.
PublicationPrzedstawiono przebieg i wyniki laboratoryjnych badań procesu perfuzji do otrzewnej. Szczególną uwagę zwrócono na medyczne i kliniczne aspekty badań. Omówiono dynamiczną charakterystykę badanego układu oraz wynikające z niej zalecenia praktyczne.
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Dynamika układów wielomasowych jako narzędzie do optymalizacji ustawienia elementów tłumiących drgania.
PublicationW niniejszej pracy opisano próbę połączenia problemów dynamiki układów wielomasowych i numerycznej optymalizacji. Zadano pytanie o możliwość optymalizacji własności tłumiących układu poprzez modyfikacje jedynie współczynników tłumienia. Skonfrontowano to z modyfikacją dopuszczającą ograniczoną zmianę ustawienia elementów tłumiących.
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A Numerical Model Study on Ice Boom in a Coastal Lake
PublicationA numerical study on the effectiveness of the proposed ice boom to be installed near the entrance of Lake Notoro, Hokkaido, Japan to prevent sea ice moving into the lake is presented. A two-dimensional hydro–ice dynamics model was modified to allow for the treatment of ice-boom interaction with the effect of tidal current. The numerical model is a coupled hydrodynamic and ice dynamic model. The ice dynamic component uses a Lagrangian...
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Towards better understanding of context-aware knowledge transformation
PublicationConsidering different aspects of knowledge functioning, context is poorly understood in spite of intuitively identifying this concept with environmental recognition. For dynamic knowledge, context especially seems to be an essential factor of change. Investigation on the impact of context on knowledge dynamics or more generally on the relationship between knowledge and its contextual interpretation is important in order to understand...
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Effect of power frequency on the stress state of disc actuator
PublicationThe paper presents the concept of determinig the optimum frequency of coil supply in inductive-dynamic drive. As a criterion to obtain the sought frequency, the smallest value of reduced stress in the disc was assumed while maintaining the desired dynamics.
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Current understanding of the effects of inspiratory resistance on the interactions between systemic blood pressure, cerebral perfusion, intracranial pressure, and cerebrospinal fluid dynamics
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Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors—molecular dynamics study of the activated receptor–vasopressin–Gα systems
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Spectroscopic studies on physicochemical properties of selected unsymmetrical bisacridine derivatives and NMR analysis of their interactions with the model sequence Pu22 aided by molecular dynamics
PublicationIn recent years, new promising acridine derivatives have appeared, belonging to the unsymmetrical bisacridines (UAs) family with high anticancer activity. Both their physicochemical properties and their mechanism of action at the molecular level have not been thoroughly analyzed so far. Four derivatives were selected for the study, termed as: C-2028, C-2041, C-2045 and C-2053. The first aim of this work was to determine the protonation...
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An interval estimator for chlorine monitoring in drinking water distribution systems under uncertain system dynamics, inputs and chlorine concentration measurement errors
PublicationThe design of an interval observer for estimation of unmeasured state variables with application to drinking water distribution systems is described. In particular, the design process of such an observer is considered for estimation of the water quality described by the concentration of free chlorine. The interval observer is derived to produce the robust interval bounds on the estimated water quality state variables. The stability...
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublicationMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics
PublicationAmphotericin B is a lifesaving polyene antibiotic used in the treatment of systemic mycoses. Unfortunately, the pharmacological applicability of this drug is limited because of its severe toxic side effects. At the same time, the lack of a well-defined mechanism of selectivity hampers the efforts to rationally design safer derivatives. As the drug primarily targets the biomembranes of both fungi and humans, new insights into the...
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Electromagnetic Control and Dynamics of Generalized Burgers’ Nanoliquid Flow Containing Motile Microorganisms with Cattaneo–Christov Relations: Galerkin Finite Element Mechanism
PublicationIn our research work, we have developed a model describing the characteristics of the bio-convection and moving microorganisms in the flows of a magnetized generalized Burgers’ nanoliquid with Fourier’s and Fick’s laws in a stretchable sheet. Considerations have been made to Cattaneo–Christov mass and heat diffusion theory. According to the Cattaneo–Christov relation, the Buongiorno phenomenon for the motion of a nanoliquid in...
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"Car-Parrinello molecular dynamics" jako kluczowe narzędzie informatyczne w badaniach syntezy cienkich warstw diamentowych metodą PA CVD
PublicationPraca omawia zastosowanie metody Car-Parrinello MD w symulacji procesu wzrostu cienkich warstw diamentowych w metodzie PAC VD.
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Kwantowa dynamika procesu fotodysocjacji rodnika winoksylowego. Nieadiabatyczne efekty w pobliżu przecięcia stożka
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Obserwator prędkości obrotowej silnika indukcyjnego oparty na uproszczonych równaniach dynamiki modelu zakłóceń
PublicationW artykule zaproponowano nową strukturę obserwatora prędkości obrotowej silnika indukcyjnego. Iloczyny prędkości kątowej wału i składowych wektora strumienia wirnika, będące nieliniowymi członami w modelu silnika, zostały przyjęte w zapisie jako umowne niemierzalne zakłócenia. Dla przyjętych zakłóceń zapisano uproszczone równania dynamiki. Zaprezentowano wyniki badań symulacyjnych oraz w układzie eksperymentalnym. Na wyjściu przekształtnika...