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A Comprehensive Analysis of Impedance of the Electrochemical Cell
PublikacjaA comprehensive impedance characteristics of two electrodes electrochemical cell has been pre sented. In this method a multisinusoidal current excitation signal is used. The change of potential of both the electrodes are all registered as a function of time. The proposed method gives the possibility of determining the impedance of both electrodes individually as well as the impedance of a twoelectrode system. Additional application...
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A new approach to designing control of dissolved oxygen and aeration system in sequencing batch reactor by applied backstepping control algorithm
PublikacjaThe Wastewater Treatment Plant (WWTP) is a very complex system, due to its nonlinearity, time-variance, and multiple time scales in its dynamics among others. The most important control parameter in a WWTP is the Dissolved Oxygen (DO) concentration. The tracking problem of the DO concentration is one of the most fundamental issues in biological wastewater treatment. Proper DO concentration control is necessary to achieve adequate...
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Automatic Regularization by Quantization in Reducible Representations of CCR: Point-Form Quantum Optics with Classical Sources
PublikacjaElectromagnetic fields are quantized in a manifestly covariant way by means ofa class of reducible "center-of-mass N-representations" of the algebra of canonical commutationrelations (CCR). The four-potential Aa(x) transforms in these representations as aHermitian four-vector field in Minkowski four-position space (without change of gauge), butin momentum space it splits into spin-1 massless photons and two massless scalars. Whatwe...
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Analiza drgań przewodu jezdnego sieci trakcyjnej w aspekcie oceny jej stanu technicznego.
PublikacjaGórna sieć trakcyjna jest nadal najefektywniejszym sposobem zasilania kolejowych pojazdów elektrycznych. Sieć jezdna nie ma możliwości technicznych redundancji, co wymaga okresowej oceny stanu technicznego w celu zapewnienia prawidłowej współpracy z odbierakami prądu pojazdów. W artykule przedstawiono aspekty oceny stanu technicznego górnej sieci trakcyjnej na podstawie modelowania matematycznego i wybranych badań laboratoryjnych....
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Sieć sensorowa do rejestracji drgań górnej sieci trakcyjnej w celach diagnostyki eksploatacyjnej
PublikacjaWraz ze wzrostem prędkości kolejowych pojazdów elektrycznych zwiększają się wymagania utrzymania sieci trakcyjnej w odpowiednim stanie technicznym. Ciągły monitoring i diagnostyka pozwalają wykrywać pogarszającą się jakość odbioru prądu z sieci jezdnej. Jedną z metod jest umieszczenie czujników przyspieszenia na przewodzie jezdnym. Analiza przebiegu przyspieszenia pozwala określić jakość współpracy sieci jezdnej z pantografem....
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Updating Finite Element Model of a Wind Turbine Blade Section Using Experimental Modal Analysis Results
PublikacjaThis paper presents selected results and aspects of themultidisciplinary and interdisciplinary research oriented for the experimental and numerical study of the structural dynamics of a bend-twist coupled full scale section of awind turbine blade structure.Themain goal of the conducted research is to validate finite elementmodel of themodified wind turbine blade section mounted in the flexible support structure accordingly to the...
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Improved maximum power point tracking algorithms by using numerical analysis techniques for photovoltaic systems
PublikacjaSolar photovoltaic (PV) panels generate optimal electricity when operating at the maximum power point (MPP). This study introduces a novel MPP tracking algorithm that leverages the numerical prowess of the predictor-corrector method, tailored to accommodate voltage and current fluctuations in PV panels resulting from variable environmental factors like solar irradiation and temperature. This paper delves into the intricate dynamics...
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Why is TASK Quarterly a Significant Journal to Publish Your Article? —A Bibliometric Analysis of a Scientific and Technical Journal
PublikacjaA bibliometric analysis of TASK Quarterly in the years 1997-2021 in terms of various bibliometric indicators was performed to celebrate the 25th anniversary of the publication of the first issue of the journal. The number of publications and citations increased over the mentioned span of years. The leading countries in terms of the greatest number of papers published in TASK Quarterly are Poland, Italy, Germany, Ukraine, USA and...
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Constrained aerodynamic shape optimization using neural networks and sequential sampling
PublikacjaAerodynamic shape optimization (ASO) involves computational fluid dynamics (CFD)-based search for an optimal aerodynamic shape such as airfoils and wings. Gradient-based optimization (GBO) with adjoints can be used efficiently to solve ASO problems with many design variables, but problems with many constraints can still be challenging. The recently created efficient global optimization algorithm with neural network (NN)-based prediction...
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Numerical investigation of multiphase blood flow coupled with lumped parameter model of outflow
PublikacjaPurpose The purpose of this paper is the application of the computational fluid dynamics model simulating the blood flow within the aorta of an eight-year-old patient with Coarctation of Aorta. Design/methodology/approach The numerical model, based on commercial code ANSYS Fluent, was built using the multifluid Euler–Euler approach with the interaction between the phases described by the kinetic theory of granular flow (KTGF). Findings A...
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POLAND’S ENERGY DEPENDENCE AT THE TURN OF THE 21ST CENTURY
PublikacjaThe following article is an attempt to assess Poland's energy independence in the years 1993-2020. The main aim of the paper is to present Poland's dependence on raw materials from foreign partners - in the field of imports of electricity, natural gas, crude oil, non-renewable energy resources, i.e., hard coal and lignite, and the country's dynamics in the amount of imports. In addition, the aim of the work is to answer research...
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„Eulerian – Eulerian” versus ,,Eulerian –Lagrangean” models of condensation
PublikacjaLiquid phase in the flowing vapor through stages of the steam turbine is the cause of a lot of failures. Nowadays, due to work of steam turbines at partial load, process of homogeneous and heterogeneous condensation still is current. The formation of drops of condensate under conditions other than nominal operation of turbine is a process still unknown. Engineers and designers involved in the development of power station machines...
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ICT Diffusion Trajectories and Economic Development: Empirical Evidence for 46 Developing Countries
PublikacjaIn economic theory, technology is treated as a crucial factor contributing significantly to economic development. Seminal works of Schumpeter (Theory of economic development. Transaction Publishers, New Brunswick, 1934, J Econ Hist 7:149–159, 1947), Baumol (Am Econ Rev 76:1072–1084, 1986), Gerschenkron (Economic backwardness in economic perspective. Belknap Press, Cambridge, MA, 1962) or Abramovitz (J Econ Hist 46(2):385–406, 1986)...
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Study of Icosahedral Clusters in Close-packed Simple Liquids
PublikacjaThe local structure of liquid copper was determined using Steinhardt order parameters, with particular attention paid to icosahedral clusters. The positions of atoms were obtained from three sets of molecular dynamics simulations, with the forces obtained from: the Sutton-Chen (SC) potential, the Naval Research Laboratory total energy tight-binding (NRL-TB) method and the divide-and-conquer learn-on-the-fly (DCLOTF) method, respectively....
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Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions
PublikacjaThe biology and chemistry of proteins and peptides are inextricably linked with water as the solvent. The reason for the high stability of some proteins or uncontrolled aggregation of others may be hidden in the properties of their hydration water. In this study, we investigated the effect of stabilizing osmolyte–TMAO (trimethylamine N-oxide) and destabilizing osmolyte–urea on hydration shells of two short peptides, NAGMA (N-acetyl-glycine-methylamide)...
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Effect of Pin Shape on Thermal History of Aluminum-Steel Friction Stir Welded Joint: Computational Fluid Dynamic Modeling and Validation
PublikacjaThis article studied the effects of pin angle on heat generation and temperature distribution during friction stir welding (FSW) of AA1100 aluminum alloy and St-14 low carbon steel. A validated computational fluid dynamics (CFD) model was implemented to simulate the FSW process. Scanning electron microscopy (SEM) was employed in order to investigate internal materials’ flow. Simulation results revealed that the mechanical work...
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A novel hierarchically-porous diamondized polyacrylonitrile sponge-like electrodes for acetaminophen electrochemical detection
PublikacjaA novel composite electrode material consisting of tangled fibrous polyacrylonitrile-based hierarchically-struc- tured nanocomposites has been produced by wet-spinning, carbonized and decorated with a carbon nano- architecture by microwave plasma-enhanced chemical vapor deposition and investigated as a metal-free electrode for the enhanced electrochemical detection of acetaminophen. Surprisingly, the hierarchical fiber ar- chitecture...
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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublikacjaThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublikacjaDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Opinia techniczna dotycząca analizy wiatrowej, wykonanej na podstawie wyników symulacji CFD
PublikacjaCelem opracowania jest oszacowanie obciążenia środowiskowego generowanego wiatrem działającego na fasadę Zespołu Dwóch Budynków Biurowych realizowanych przez Zamawiającego na nieruchomości położonej w Gdańsku przy Al. Grunwaldzkiej 343-345. Zakres opracowania obejmuje: • analizę dokumentacji obiektu oraz sąsiadującej zabudowy pod kątem szacowania wpływu oddziaływania wiatru na budowlę; • analizę możliwości zastosowania wskazań...
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Magnetoacoustic heating in a quasi-isentropic magnetic gas
PublikacjaThe nonlinear heating of a plasma which associates with the transfer of energy of magnetoacoustic waves into that of the entropy mode, is analytically studied. A plasma is uniform and motionless at equilibrium. Perturbations in a plasma are described by a system of ideal magnetohydrodynamic equations. The equilibrium straight magnetic strength and the wave vector form a constant angle which varies from 0 to π/2. There exist four...
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Identification of transition curves in vehicular roads and railways
PublikacjaIn the paper attention is focused on the necessity to systematize the procedure for determining the shape of transition curves used in vehicular roads and railway routes. There has been presented a universal method of identifying curvature in transition curves by using differential equations. Curvature equations for such known forms of transition curves as clothoid, quartic parabola, the Bloss curve, cosinusoid and sinusoid, have...
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Objectivity in the non-Markovian spin-boson model
PublikacjaObjectivity constitutes one of the main features of the macroscopic classical world. An important aspect of the quantum-to-classical transition issue is to explain how such a property arises from the microscopic quantum theory. Recently, within the framework of open quantum systems, there has been proposed such a mechanism in terms of the so-called spectrum broadcast structures. These are multipartite quantum states of the system...
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Swarm-Assisted Investment Planning of a Bioethanol Plant
PublikacjaBioethanol is a liquid fuel for which a significant increase in the share of energy sources has been observed in the economies of many countries. The most significant factor in popularizing bioethanol is the profitability of investments in construction of facilities producing this energy source, as well as the profitability of its supply chain. With the market filled with a large amount of equipment used in the bioethanol production...
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Localization and Orientation of Xanthophylls in a Lipid Bilayer
PublikacjaXanthophylls (polar carotenoids) play diverse biological roles, among which are modulation of the physical properties of lipid membranes and protection of biomembranes against oxidative damage. Molecular mechanisms underlying these functions are intimately related to the localization and orientation of xanthophyll molecules in lipid membranes. In the present work, we address the problem of localization and orientation of two xanthophylls...
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Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
PublikacjaThe multi-mode vibronic interactions between the five lowest electronic states of the fluorobenzene radical cation are investigated theoretically, based on ab initio electronic structure data, and employing the linear vibronic coupling model. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of X-A and B-C-D cationic states, while the interactions between these two sets of states...
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Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
PublikacjaRadiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...
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Four Degree-of-Freedom Hydrodynamic Maneuvering Model of a Small Azipod-Actuated Ship With Application to Onboard Decision Support Systems
PublikacjaThe main contribution of this paper is a numerical ship motion model of NTNU’s research vessel Gunnerus, capturing the surge, sway, roll, and yaw dynamics when sailing in uniform and steady currents. The model utilizes a crossflow drag formulation for the transverse viscous loads, and it includes a nonlinear formulation for the propulsion and steering loads provided by two azipod thrusters. A wide range of experimental data obtained...
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Simulations of hydro-fracking in rock mass at meso-scale using fully coupled DEM/CFD approach
PublikacjaThe paper deals with two-dimensional (2D) numerical modelling of hydro-fracking (hydraulic fracturing) in rocks at the meso-scale. A numerical model was developed to characterize the properties of fluid-driven fractures in rocks by combining the discrete element method (DEM) with computational fluid dynamics (CFD). The mechanical behaviour of the rock matrix was simulated with DEM and the behaviour of the fracturing fluid flow...
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Turning maneuver as a potential cause of the next stability failure mode for a ship in operation
PublikacjaThe only formal stability-related requirement referring to a turning maneuver of a ship results from the IS Codeand its application is limited to passenger ships only. The goal of the adopted criterion is to prevent an excessiveangle of heel in turn. Likewise, the remaining prescriptive criteria, this one is simply based on the concept ofa threshold that must not be exceeded. In this case, the angle of heel...
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Sterowanie predykcyjne i fuzja danych w systemie dynamicznego pozycjonowania statku
PublikacjaRozprawa doktorska poświęcona jest badaniu zastosowania fuzji danych oraz sterowania predykcyjnego w systemie dynamicznego pozycjonowania statku. W pierwszej części pracy przedstawiono historię rozwoju systemów dynamicznego pozycjonowania, różne metody estymacji położenia statku, metody sterowania oraz cel i tezę pracy. Następnie zaprezentowano model matematyczny statku, kinematykę oraz dynamikę. W kolejnej części przedstawiono...
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Analiza drgań kładki kompozytowej wywołanych działaniem wiatru
PublikacjaW pracy omówiono sposób przeprowadzenia uproszczonej, numerycznej analizy drgań kładki kompozytowej wywołanych działaniem wiatru. Rozważaniom poddano swobodnie podpartą konstrukcję o rozpiętości 16 m i przekroju w kształcie litery U. W pierwszej kolejności przeprowadzono dwuwymiarową analizę opływu niepodatnego kształtu przekroju kładki w poziomym strumieniu wiatru o prędkości 10 m/s. Obliczenia numeryczne przeprowadzono programem...
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Modeling two phase flow in large scale fractured porous media with an extended multiple interacting continua method
PublikacjaWe present a two phase flow conceptual model, the corresponding simulator (2pMINC) and a workflow for large-scale fractured reservoirs, based on a continuum fracture approach which uses the multiple interacting continua (MINC) method complemented with an improved upscaling technique. The complex transient behavior of the flow processes in fractured porous media is captured by subgridding the coarse blocks in nested volume elements...
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Hybrid quantum-classical approach for atomistic simulation of metallic systems
PublikacjaThe learn-on-the-fly (LOTF) method [G. Csanyi et al., Phys. Rev. Lett. 93, 175503 (2004)] serves to seamlessly embed quantum-mechanical computations within a molecular-dynamics framework by continual local retuning of the potential's parameters so that it reproduces the quantum-mechanical forces. In its current formulation, it is suitable for systems where the interaction is short-ranged, such as covalently bonded semiconductors....
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Why Are Left-Handed G-Quadruplexes Scarce?
PublikacjaG-quadruplexes (G4s) are nucleic acid structures crucial for the regulation of gene expression and genome maintenance. While they hold promise as nanodevice components, achieving desired G4 folds requires understanding the interplay between stability and structural properties, like helicity. Although right-handed G4 structures dominate the experimental data, the molecular basis for this preference over left-handed helicity is unclear....
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The influence of intermolecular correlations on the infrared spectrum of liquid dimethyl sulfoxide
PublikacjaDimethyl sulfoxide (DMSO) is routinely applied as an excellent, water-miscible solvent and chemical reagent. Some of the most important data concerning its liquid structure were obtained using infrared (IR) spectroscopy. However, the actual extent of intermolecular correlations that connect the isolated monomer spectrum to the IR response of the bulk liquid is poorly studied thus far. Using ab initio molecular dynamics (AIMD) simulations,...
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Role of cholesterol in substrate recognition by -secretase
Publikacja-Secretase is an enzyme known to cleave multiple substrates within their transmembrane domains, with the amyloid precursor protein of Alzheimer’s Disease among the most prominent examples. The activity of -secretase strictly depends on the membrane cholesterol content, yet the mechanistic role of cholesterol in the substrate binding and cleavage remains unclear. In this work, we used all-atom molecular dynamics simulations to examine...
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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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Impact of thermal backfill parameters on current-carrying capacity of power cables installed in the ground
PublikacjaProper design of power installations with the participation of power cables buried in homogeneous and thermally well-conductive ground does not constitute a major problem. The situation changes when the ground is non-homogeneous and thermally low-conductive. In such a situation, a thermal backfill near the cables is commonly used. The optimization of thermal backfill parameters to achieve the highest possible current-carrying capacity...
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Thermophysical study of the binary mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide – Experimental and theoretical approach
PublikacjaDensities at (293.15, 298.15, 303.15 and 308.15) K, and viscosities and ultrasonic velocities at 298.15 K of binary liquid mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide have been measured over the entire range of composition at p = 0.1 MPa. From the experimental data, values of excess molar volume, excess isentropic compressibility, viscosity deviation and excess Gibbs energy...
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The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
PublikacjaPreorganization of large, directionally oriented, electric fields inside protein active sites has been proposed as a crucial contributor to catalytic mechanism in many enzymes, and it may be efficiently investigated at the atomistic level with molecular dynamics simulations. Here, we evaluate the ability of the AMOEBA polarizable force field, as well as the additive Amber ff14SB and Charmm C36m models, to describe the electric...
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Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline
PublikacjaThe role of short strong hydrogen bonds (SSHB) in ligand-target binding remains largely unexplored, thereby hin- dering a potentially important avenue in the rational drug de- sign. Here, we investigate the interaction between bedaquiline (Bq), a potent anti-tuberculosis drug, and the mycobacterial ATP synthase, to unravel the role of a specific hydrogen bond to a conserved acidic residue in the target affinity and specificity....
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Economic growth, structural change and quality upgrading in New Member States
PublikacjaThe purpose of this research is to present the recent developments concerning structural change and productivity growth in New Member States and the role played in such process by country specific factors. We focus on ten countries (NMS-10) which joined the EU in 2004 and analyze productivity dynamics of their labor structures between the years 1995 and 2005 in a comparative setting versus EU-15 economies. NMS-10 have gone through...
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Theoretical studies of fragmentation processes of neutral and ionized furan molecule
PublikacjaThis PhD thesis focuses on the fragmentation mechanism of the furan molecule in the gas phase. The approach taken in this work comprised of three theoretical methodologies considering the dynamical, energetical and entropic aspects of the studied process. First, molecular dynamics simulations were performed. Next, the potential energy surfaces were explored at the DFT/B3LYP level of theory. Finally, a new statistical Microcanonical...
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Critical Review on Robust Speed Control Techniques for Permanent Magnet Synchronous Motor (PMSM) Speed Regulation
PublikacjaThe permanent magnet synchronous motor (PMSM) is a highly efficient energy saving machine. Due to its simple structural characteristics, good heat radiation capability, and high efficiency, PMSMs are gradually replacing AC induction motors in many industrial applications. The PMSM has a nonlinear system and lies on parameters that differ over time with complex high-class dynamics. To achieve the excessive performance operation...
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Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2
PublikacjaWe combine molecular dynamics, statistical mechanics, and hybrid quantum mechanics/molecular mechanics simulations to describe mechanistically the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNA-dependent RNA polymerase (RdRp). Our study analyzes the binding mode of both natural triphosphate substrates as well as remdesivir triphosphate (the active form of drug), which is bound preferentially over ATP by RdRp while...
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Concept of an Innovative Autonomous Unmanned System for Bathymetric Monitoring of Shallow Waterbodies (INNOBAT System)
PublikacjaBathymetry is a subset of hydrography, aimed at measuring the depth of waterbodies and waterways. Measurements are taken inter alia to detect natural obstacles or other navigational obstacles that endanger the safety of navigation, to examine the navigability conditions, anchorages, waterways and other commercial waterbodies, and to determine the parameters of the safe depth of waterbodies in the vicinity of ports, etc. Therefore,...
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Numerical methodology for evaluation the combustion and emissions characteristics on WLTP in the light duty dual-fuel diesel vehicle
PublikacjaThe worldwide aim of reducing environmental impact from internal combustion engines bring more and more stringent emission regulations. In 2017 by EU has been adopted new harmonized test procedure called WLTP. In general terms this test was designed for determining the levels of harmful emissions and fuel consumption of traditional and hybrid cars. This procedure contains specific driving scenarios which representing reallife driving...
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Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR–Cas9
PublikacjaAt the core of the CRISPR–Cas9 genome-editing technology, the endonuclease Cas9 introduces site-specific breaks in DNA. However, precise mechanistic information to ameliorate Cas9 function is still missing. Here, multimicrosecond molecular dynamics, free energy and multiscale simulations are combined with solution NMR and DNA cleavage experiments to resolve the catalytic mechanism of target DNA cleavage. We show that the conformation...
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Social Learning in Cluster Organizations and Accumulation of Technological Capability
PublikacjaThe purpose of the paper is to present how members of cluster organizations perceive their role in the accumulation of technological capability through social learning. The paper presents the results of a qualitative study of four cluster organizations. The theoretical foundation of the study are the communities of practice and the organizational inertia theories. The study indicates that the dynamics of technological capability...