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Wyniki wyszukiwania dla: WAVEPACKETS IN QUANTUM MECHANICS
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Influence of a Lighting Column in the Working Width of a W-Beam Barrier on TB51 Crash Test
PublikacjaRoad equipment, such as, e.g., road safety barriers and lighting columns, are subject to certification according to the EN1317 standard to be allowed for use on European roads. In engineering practice, due to the terrain conditions, there are cases where other road equipment is installed within the working width of road safety barriers. Such situations are not considered during the certification process. Hence, the aim of this...
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On design and analysis of flow characteristics of the last stage of gas-steam turbine
PublikacjaResearch regarding blade design and analysis of flow have been conducted for over a century. Meanwhile new concepts and design approaches were created and improved. Advancements in information technologies allowed to introduce computational fluid dynamics (CFD) and computational flow mechanics (CFM). Currently a combination of mentioned methods is used for design of turbine blades. These methods enabled us to improve flow efficiency...
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The Influence of Articular Cartilage Thickness Reduction on Meniscus Biomechanics
PublikacjaObjective Evaluation of the biomechanical interaction between meniscus and cartilage in medial compartment knee osteoarthritis. Methods The finite element method was used to simulate knee joint contact mechanics. Three knee models were created on the basis of knee geometry from the Open Knee project. We reduced the thickness of medial cartilages in the intact knee model by approximately 50% to obtain a medial knee osteoarthritis...
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New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
PublikacjaNew protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. The screening protocol pointed out that 4-formylomorpholine (4FM) is an attractive...
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Waterborne polyesters partially based on renewable resources
PublikacjaA new experimental approach for preparing biobased, water-soluble polyesters via titanium(IV) n-butoxide-catalyzed bulk polycondensation is presented. In the described method polymers were obtained from isosorbide, maleic anhydride and poly(ethylene glycol). The chemical structure of the synthesized polyesters was confirmed using 2D NMR spectroscopy and by titration methods. Careful analysis of 2D NMR spectra viz. Correlation Spectra...
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The importance of anchoring ligands of binuclear sensitizers on electron transfer processes and photovoltaic action in dye-sensitized solar cells
PublikacjaThe relatively low photon-to-current conversion efficiency of dye-sensitized solar cells is their major drawback limiting widespread application. Light harvesting, followed by a series of electron transfer processes, is the critical step in photocurrent generation. An in-depth understanding and fine optimization of those processes are crucial to enhance cell performance. In this work, we synthesize two new bi-ruthenium sensitizers...
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Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine
PublikacjaSemiconductor|melanin interfaces have received increasingly more attention in the fields of photocatalysis and applied electrochemistry because of their facile synthesis, unique electrical properties, and strong capability toward photosensitization. In this work, we describe the electropolymerization of quinone-rich polydopamine (PDA) on the surface of hydrogenated TiO2 nanotubes with enhanced photoactivity in the visible spectrum....
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Elucidating photoluminescent properties of Eu‐doped Ca–Al–Si–O(–N) glasses and the local structures of Eu ions
PublikacjaEuropium (Eu) ion–doped luminescent materials have attracted considerable attention for their numerous optical applications. Eu-doped Ca–Al–Si–O(–N) glasses were synthesized from a mixture of oxynitride glasses and Eu2O3 powder using a standard melt-quenching technique in a radiofrequency furnace. The source Eu trivalent ions primarily changed to Eu2+ during melting, and the ratio of Eu2+ ions increased with an increase in Eu content...
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Fabrication of high-density nitrogen-vacancy (NV) center-enriched diamond particles through methyl trityl amine (C20H19N) seeding
PublikacjaDiamond particles (DPs) show promise for advanced applications in bioimaging and quantum sensing due to the presence of defect centers. This work reports a unique growth process for diamond particles composed of nitrogen-vacancy centers (NV-DPs) using a methyl trityl amine (C20H19N) diamondoid seed, which acts as a nitrogen source for NV creation. Growth was performed via microwave plasma-assisted chemical vapor deposition in a...
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Structural Insights into New Bi(III) Coordination Polymers with Pyridine-2,3-Dicarboxylic Acid: Photoluminescence Properties and Anti-Helicobacter pylori Activity
PublikacjaTwo novel coordination polymers, [Bi2(2,3pydc)2(2,3pydcH)2(H2O)]n(1) and {(Et3NH)2[Bi(2,3pydc)(2,3pydcH)Cl2]}n(2) were prepared using as a prolinker pyridine-2,3-dicarboxylic acid(2,3pydcH2). The obtained complexes were fully characterized by elemental analysis, TG/DTG, FT-IR,solid-state photoluminescence, DFT calculations and single-crystal X-ray diffraction. The obtainedcomplexes crystallized in the triclinicP-1 space group (1)...
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Nonlocal elasticity analysis of moderately thick porous functionally graded plates in a hygro-thermal environment
PublikacjaThis work performs a novel quasi three-dimensional (3D) bending analysis for a moderately thick functionally graded material (FGM) made of nanoceramics and metal powders, in presence of porosities due to some incorrect manufacturing processes. Such porosities can appear within the plate in two forms, namely, even and uneven distributions. The modeled system assumes a polymer matrix where both shear and transverse factors coexist....
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Absolute Photoabsorption Cross-Sections of Methanol for Terrestrial and Astrophysical Relevance
PublikacjaWe investigate the methanol absorption spectrum in the range 5.5–10.8 eV to provide accurate and absolute cross-sections values. The main goal of this study is to provide a comprehensive analysis of methanol electronic-state spectroscopy by employing high-resolution vacuum ultraviolet (VUV) photoabsorption measurements together with state-of-the-art quantum chemical calculation methods. The VUV spectrum reveals several new features...
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Superconductivity and appearance of negative magnetocaloric effect in Ba1–xKxBiO3 perovskites, doped by Y, La and Pr
PublikacjaRecently, substantial attention is given to the bismuth-based perovskites for variety of electronic applications. The perovskites are used for quantum dots displays (QLED), photovoltaic systems and superconducting (HTS) devices. In this paper comprehensive studies of Ba1–xKxBi1–yREyO3 bismuth perovskites (REBKBO, RE = Y , La or Pr) are reported. Apart from structural anomalous behavior at low temperatures, the electronic properties...
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Stable nanoconjugates of transferrin with alloyed quaternary nanocrystals Ag–In–Zn–S as a biological entity for tumor recognition
PublikacjaOne way to limit the negative effects of anti-tumor drugs on healthy cells is targeted therapy employing functionalized drug carriers. Here we present a biocompatible and stable nanoconjugate of transferrin anchored to Ag-In-Zn-S quantum dots modified with 11-mercaptoundecanoic acid (Tf-QD) as a drug carrier versus typical anticancer drug, doxorubicin. Detailed investigations of Tf-QD nanoconjugates without and with doxorubicin...
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Dynamic modeling of non-cylindrical curved viscoelastic single-walled carbon nanotubes based on the second gradient theory
PublikacjaThis paper is devoted to the theoretical study of the dynamic response of non-cylindrical curved viscoelastic single-walled carbon nanotubes (SWCNTs). The curved nanotubes are largely used in many engineering applications, but it is challenging in understanding mechanically the dynamic response of these curved SWCNTs when considering the influences of the material viscosity. The viscoelastic damping effect on the dynamic response...
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On time-dependent nonlinear dynamic response of micro-elastic solids
PublikacjaA new approach to the mechanical response of micro-mechanic problems is presented using the modified couple stress theory. This model captured micro-turns due to micro-particles' rotations which could be essential for microstructural materials and/or at small scales. In a micro media based on the small rotations, sub-particles can also turn except the whole domain rotation. However, this framework is competent for a static medium....
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A newly-developed model for predicting cutting power during wood sawing with circular saw blades
PublikacjaIn the classical approach, cutting forces and cutting power in sawing processes of orthotropic materials such as wood are generally calculated on the basis of the specific cutting resistance kc (cutting force per unit area of cut). For every type of sawing kinematics (frame saws, band saws and circular sawing machines) different empirical values of specific cutting resistance kc have to be applied. It should be emphasised that...
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Interactions of telomeric proteins with nucleic acids: sequence recognition on intact and oxidatively damaged telomeres
PublikacjaTelomeres are complex nucleoprotein assemblies that play a vital role in the maintenance of functional ends of linear chromosomes. Telomeric DNA, composed of tandem repeats of the 5'-TTAGGG-3' motif, solves the so-called end replication problem: as chromosomes shorten with each cell division, no information is lost, and the telomere can be re-extended. In the cell, many protein factors regulate telomere length, nuclear positioning...
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Laser-Induced Graphitization of Polydopamine on Titania Nanotubes
PublikacjaSince the discovery of laser-induced graphite/graphene, there has been a notable surge of scientific interest in advancing diverse methodologies for their synthesis and applications. This study focuses on the utilization of a pulsed Nd:YAG laser to achieve graphitization of polydopamine (PDA) deposited on the surface of titania nanotubes. The partial graphitization is corroborated through Raman and XPS spectroscopies and supported...
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pH-Responsive Drug Delivery Nanoplatforms as Smart Carriers of Unsymmetrical Bisacridines for Targeted Cancer Therapy
PublikacjaSelective therapy and controlled drug release at an intracellular level remain key challenges for effective cancer treatment. Here, we employed folic acid (FA) as a self-navigating molecule in nanoconjugates containing quantum dots (QDs) and β-cyclodextrin (β-CD) for the delivery of antitumor unsymmetrical bisacridine compound (C-2028) to lung and prostate cancers as well as normal cells. The bisacridine derivative can form the...
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Acid–Base Equilibrium and Self-Association in Relation to High Antitumor Activity of Selected Unsymmetrical Bisacridines Established by Extensive Chemometric Analysis
PublikacjaUnsymmetrical bisacridines (UAs) represent a novel class of anticancer agents previously synthesized by our group. Our recent studies have demonstrated their high antitumor potential against multiple cancer cell lines and human tumor xenografts in nude mice. At the cellular level, these compounds affected 3D cancer spheroid growth and their cellular uptake was selectively modulated by quantum dots. UAs were shown to undergo metabolic...
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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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Tuning the ferromagnetic phase in the CDW compound SmNiC2 via chemical alloying
PublikacjaWe report a study on tuning the charge density wave (CDW) ferromagnet SmNiC2 to a weakly coupled superconductor by substituting La for Sm. X-ray diffraction measurements show that the doped compounds obey Vegard’s law, where La (Lu) alloying expands (shrinks) the lattice due to its larger (smaller) atomic size than Sm. In the series Sm1−xLaxNiC2, CDW transition (TCDW =148K) for SmNiC2 is gradually suppressed, while the ferromagnetic...
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Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublikacjaInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublikacjaInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
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Texture or Linker? Competitive Patterning of Receptor Assembly toward Ultra-Sensitive Impedimetric Detection of Viral Species at Gold-Nanotextured Titanium Surfaces
PublikacjaIn this work, we study the electrodes with a periodic matrix of gold particles pattered by titanium dimples and modified by 3-mercaptopropionic acid (MPA) followed by CD147 receptor grafting for specific impedimetric detection of SARS-CoV-2 viral spike proteins. The synergistic DFT and MM/MD modeling revealed that MPA adsorption geometries on the Au–Ti surface have preferential and stronger binding patterns through the carboxyl...
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Representation of a built-up area in the numerical simulation of urban flash flooding
PublikacjaPrzedstawiono wyniki modelowania powodzi miejskiej przy pomocy dwuwymiarowych równań de Saint-Venanta. Równania rozwiązano metodą objętości skończonych. Zaprezentowano dwie techniki reprezentacji obszarów zabudowanych w numerycznej symulacji powodzi - bezpośrednie wykluczenie budynków z siatki numerycznej oraz zastąpienie grup budynków terenami o znacznie zwiększonej szortkości powierzchni. W celu oceny wykorzystanych metod wykonano...
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Long-range dependencies in heart rate signals—revisited
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Multifractal estimates of monofractality in RR-heart series in power spectrum ranges
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2D numerical simulation of tear film dynamics: Effects of shear-thinning properties
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Maxwell's approach to effective conductivity and its limitations
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Chaotic modes of systems described by the Liénard equations with a large period of the right-hand side and impact conditions
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Grazing bifurcation and chaotic oscillations of vibro-impact systems with one degree of freedom
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Chaotic modes of oscillation of a vibro-impact system
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Two-dimensional vertical Reynolds-averaged naviers-stokes equations versus one-dimensional Saint-Venant model for rapidly varied open channel water flow modelling
PublikacjaPrzedstawiono dwa modele przepływu wody ze swobodną powierzchnią -płaski pionowy model Reynoldsa i model de Saint-Venanta.Do rozwiązania równań pierwszego modelu zastosowano schemat SIMPLE oraz wykorzystano metodę cząstek znaczonych MAC do wyznaczania swobodnej powierzchni wody. Równania Saint-Venanta rozwiązano metodą objętości skończonych. Obydwa modele zastosowano do symulacj zjawiska typu katastrofa zapory. Porównano wyniki...
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Friction forces for human hip joint at a naturally permeable cartilage
PublikacjaNiniejsza praca omawia różne rodzaje sił tarcia występujących w szczelinach stawów człowierka. W artykule dokonano analizy kilku ważnych czynników wpływających na wartości sił tarcia występujących w stawach człowieka. Rozważa się siły tarcia wywołane klasycznym hydrodynamicznym smarowaniem, wzmożonym hydrodynamicznym smarowaniem, wyciskaniem a także przesączaniem cieczy synowialnej do i z porowatej warstwy chrząstki stawowej.
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Hydraulic transients analysis in pipe networks by the method of characteristics (MOC)
PublikacjaW pracy przedstawiono wyniki badań eksperymentalnych i analizy numerycznej zjawiska przepływów nieustalonych w przewodach pojedynczych oraz symulacji numerycznych w sieci pierścieniowej. Model matematyczny stanowi układ dwóch równań różniczkowych cząstkowych typu hiperbolicznego, które rozwiązano za pomocą metody charakterystyk. Badania eksperymentalne przeprowadzono na modelu w skali laboratoryjnej. Uzyskano dobrą zgodność obliczeń...
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Penetration resistance of Lubiatowo sand in calibration chamber tests
PublikacjaAnaliza oporu na wciskanie na stożku sondy statycznej wciskanej na podstawie badań modelowych w komorze kalibracyjnej z kontrolą naprężeń bocznych. Przeprowadzono badania z zastosowaniem standardowej końcówki CPT, dylatometru DMT, mini-stożka CPT oraz pali modelowych o różnej średnicy. Badania wykonano na piasku modelowym z plaży w Lubiatowie w stanie średnio zagęszczonym i zagęszczonym w szerokim zakresie składowej pionowej naprężenia....
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Viscoelastic model of waterhammer in single pipeline - problems and questions
PublikacjaW artykule dokonano analizy zastosowania lepkosprężystego modelu uderzenia hydraulicznego w pojedynczym przewodzie. Przedstawiono teoretyczne podstawy lepkosprężystego zachowania się materiału przewodu oraz matematyczny opis modelu uderzenia hydraulicznego w rurociągu z tworzywa sztucznego. Przedyskutowano główne problemy pojawiające się przy aplikacji takiego modelu. Nacisk położono na identyfikację parametrów modelu. Przeanalizowano...
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Modeling of textural anisotropy in granular materials with micro-polar hypoplasticity
PublikacjaW artykule przedstawiono wyniki numerycznej wpływu anizotropii strukturalnej w materiałach granulowanych na powstawanie lokalizacji odkształceń. Obliczenia wykonano dla ściskania w płaskim stanie odkształcenia stosując metodę elementów skończonych na bazie mikropolarnego prawa hipoplastycznego. Wpływ anizotropii modelowano stosując skorelowane pola początkowego wskaźnika porowatości.
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Hydraulic loss coefficients in 1D Flows
PublikacjaWyniki pomiarów pokazują, że współczynniki strat energii mechanicznej dla przepływów niejednostajnych i nieustalonych przyjmują wartości zdecydowanie większe, niż tradycyjnie przyjmowane dla ruchu jednostajnego. W pracy przedstawiono ananizę możliwych przypadków ruchu oraz wyniki obserwacji laboratoryjnych.Wykazano, że wzrost wartości współczynników jest uzasadniony fizykalnie.Zaproponowano robocza metodą ich korygowania.
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On the tolerance modelling of heat conduction in functionally graded laminated media
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Finite elements based on a first-order shear deformation moderate rotation shell theory with applications to the analysis of composite structures
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Visualization and quantification of soil laboratory impact compaction
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Non-parametric application of Tsallis statistics to systems consisting of M hydrogen molecules
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Effect of power frequency on the stress state of disc actuator
PublikacjaThis paper presents the concept of determining 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. The disc stress is determined on the basis of solution of vibrating thin plate equation. Magnetic pressure acting on the disc is obtained from a hybrid circumferentially-field...
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Estimation of Stresses in a Dry Sand Layer Tested on Shaking Table
PublikacjaTheoretical analysis of shaking table experiments, simulating earthquake response of a dry sand layer, is presented. The aim of such experiments is to study seismic-induced compaction of soil and resulting settlements. In order to determine the soil compaction, the cyclic stresses and strains should be calculated first. These stresses are caused by the cyclic horizontal acceleration at the base of soil layer, so it is important...
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Lax-Wendroff and McCormack Schemes for Numerical Simulation of Unsteady Gradually and Rapidly Varied Open Channel Flow
PublikacjaTwo explicit schemes of the finite difference method are presented and analyzed in the paper. The applicability of the Lax-Wendroff and McCormack schemes for modeling unsteady rapidly and gradually varied open channel flow is investigated. For simulation of the transcritical flow the original and improved McCormack scheme is used. The schemes are used for numerical solution of one dimensional Saint-Venant equations describing free...
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COMPUTER-AIDED CONSTRUCTION AT DESIGNING REINFORCED CONCRETE COLUMNS AS PER EC
PublikacjaThe article presents the author’s computer program for designing and dimensioning columns in reinforced concrete structures taking into account phenomena affecting their behaviour and information referring to design as per EC. The computer program was developed with the use of C++ programming language. The program guides the user through particular dimensioning stages: from introducing basic data such as dimensions, concrete...
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Suitability study of hybrid model of electrodynamic actuator
PublikacjaThe paper presents the proposal of the hybrid circumferential model of an electrodynamic actuator. The field model uses the inductor current as the input data which is obtained from the circumferential model or experimentally.