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Threshold photoelectron studies of isoxazole over the energy range 9.9-30 eV
PublikacjaThe threshold photoelectron spectrum of the isoxazole molecule, C3H3NO has been measured over the photon energy range 9.9-30 eV with the use of synchrotron radiation. In the 9.9-10.8 eV range, corresponding to photoionization from the highest occupied molecular orbital 3a"(π3), seven well resolved vibrational series have been observed and their modes are tentatively assigned. A strong adiabatic ionization, with an energy of 11.132...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublikacjaIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Mechanism of Li nucleation at graphite anodes and mitigation strategies
PublikacjaLithium metal plating is a critical safety issue in Li-ion cells with graphite anodes, and contributes significantly to ageing, drastically limiting the lifetime and inducing capacity loss. Nonetheless, the nucleation mechanism of metallic Li on graphite anodes is still poorly understood. But in-depth understanding is needed to rationally design mitigation measures. In this work, we conducted FirstPrinciples studies to elucidate...
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Li nucleation on the graphite anode under potential control in Li-ion batteries
PublikacjaApplication of Li-ion batteries in electric vehicles requires improved safety, increased lifetime and high charging rates. One of the most commonly used intercalation anode material for Li-ion batteries, graphite, is vulnerable to Li nucleation, a side reaction which competes with the intercalation process and leads to loss of reversible capacity of the battery, ageing and short-circuits. In this study, we deploy a combined grand...
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Explanation of Reduction of Pressure Forces in Turbine Chamber Seals
PublikacjaThe paper describes a chamber seal reducing the aerodynamic forces created in shroud seals. Asymmetrical pressure distribution (due to rotor-stator eccentricity) in the blade tip clearance leads to the creation of pressure forces acting on the blade shroud. By increasing the volume above the shroud, the pressure distribution becomes more uniform on the whole shroud circumference and the effect of rotor eccentricity is reduced....
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Explanation of Reduction of Pressure Forces in Turbine Chamber Seals
PublikacjaThe paper describes a chamber seal reducing the aerodynamic forces created in shroud seals. Asymmetrical pressure distribution (due to rotor-stator eccentricity) in the blade tip clearance leads to the creation of pressure forces acting on the blade shroud. By increasing the volume above the shroud, the pressure distribution becomes more uniform on the whole shroud circumference and the effect of rotor eccentricity is reduced....
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Optimum Control of Gyroscopic Systems
PublikacjaThe problem of optimum control of transverse rotor vibrations with gyroscopic interactions has been described and solved in the paper. An integral performance index has been defined for such system in order to minimize vibration level of a chosen rotor point. For this reason, an efficient way of finding the weight coefficients of integral performance index for multi-degrees-of-freedom system with gyroscopic interactions has been...
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Satellite pump and motor
PublikacjaThe article describe the design and operation of a prototype of satellite pump and a prototype of satellite motor. In both machines, the operating mechanism consists of a non-circular gear with external teeth (rotor), non-circular gear with internal teeth (curvature), and ten gear wheels which cooperate with the rotor and the curvature. The differences between the commutation unit in the pump and the commutation unit in the motor...
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Novel adaptive flux observer for wide speed range sensorless control of induction motor
PublikacjaA new adaptive flux observer of induction motor is presented in the paper. The Lyapunov theory is utilized for derivation of the adaptation law of rotor flux angular speed, which acts as unknown parameter in an augmented induction motor model. In the field weakening region, where stray fluxes are comparable with rotor flux magnitude, the air-gap flux stabilization is proposed. An air-gap flux multiscalar model is derived for stator...
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Feedback Control of Multiphase Induction Machines with Backstepping Technique
PublikacjaThe paper presents the control possibility of five phase induction machines. In the proposed solution the machine model vector form is not transformed to the (dq)-coordinate system, that is connected to rotor flux vector, but utilizes the stationary system ( αβ ). Moreover, the nonlinear model linearization is based on demonstrated nonlinear variables transformation for i-orthogonal ( αβ )(n) planes. By introducing the backstepping...
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Studies on removal of hydrophobic organics from contaminated soil by washing process
PublikacjaZbadano efektywność wymywania NAPL ze złoża piaskowego za pomocą roztworów dwóch niejonowych surfaktantów: polioksyetylenowanego alkoholu tłuszczowego (Rokanol NL6) oraz alkiloglukozydu (Triton BG10). Jako NAPL zastosowano dwa węglowodory - dodekan i heksadekan. Oba surfaktanty były relatywnie efektywne w usuwaniu dodekanu. Ze wzrostem stężenia surfaktantu obserwowano wzrost efektywności wymywania dodekanu, jednakże Rokanol NL6...
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Photoinactivation of Staphylococcus aureus using protoporphyrin IX: the role of haem-regulated transporter HrtA
PublikacjaLight- and photosensitiser-based antimicrobial photodynamic therapy is a very promising approach to the control of microbial infections. How the phenotypic features of a microorganism affect its response to photosensitiser-based photokilling represents an area of substantial research interest. To understand the mechanisms governing the phenomenon of a strain-dependent response to photodynamic inactivation (PDI), we analysed the...
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Volumetric and torque efficiency of pumps during start-up in low ambient temperatures
PublikacjaThe volumetric, torque and total efficiency of hydraulic pumps change during start-up in low ambient temperatures, as well as in thermal shock conditions, un-til they reach the set conditions. The time to reach steady-state conditions de-pends on many parameters: ambient temperature, flow rate, fluid temperature, design of hydraulic units. The author carried out tests of hydraulic pumps in the Hydraulics Laboratory of the Faculty...
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Genetic and pharmacologic proteasome augmentation ameliorates Alzheimer’s-like pathology in mouse and fly APP overexpression models
PublikacjaThe proteasome has key roles in neuronal proteostasis, including the removal of misfolded and oxidized proteins, presynaptic protein turnover, and synaptic efficacy and plasticity. Proteasome dysfunction is a prominent feature of Alzheimer’s disease (AD). We show that prevention of proteasome dysfunction by genetic manipulation delays mortality, cell death, and cognitive deficits in fly and cell culture AD models. We developed...
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Sensing of anesthetic drugs in blood with Raman spectroscopy
PublikacjaA proof-of-concept study of a Raman spectroscopy-based approach for measuring the content of anesthesia drugs in blood is presented. Spectra of spiked blood from several patients exhibit prominent changes in regions associated with the drug.
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Distortion in the group of circle homeomorphisms
PublikacjaLet G be the group PAff+(R/Z) of piecewise affine circle homeomorphisms or the group Diff∞(R/Z) of smooth circle diffeomorphisms. A constructive proof that all irrational rotations are distorted in G is given.
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Evaluation and cellular responses of modulators of TRF1/TRF2 protein’s function as potential anticancer drugs interfering with telomeric shelterin’s function
PublikacjaA number of proteins that interact with telomeres have been identified in human cells, indicating the high plasticity of human nucleoprotein complex organization. The most important complex is the "shelterin" complex, which consists of six proteins: TRF1, TRF2, TIN2, POT1, TPP1. The TRF1 and TRF2 directly bind to telomeric double-stranded DNA and the TIN2 protein. The TIN2 protein also binds to the TPP1 protein, stabilizing the...
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Ellipsometric study of carbon nitride films deposited by DC-magnetron sputtering
PublikacjaWe report the optical properties of a carbon nitride (CNx) film as a function of nitrogen concentration (N/C) of the deposited film. As nitrogen concentration is increased (N/C ratio) in a CNx film, the refractive index and band gap also increase. The real and imaginary parts, n and k (refractive index and extinction coefficient) of the complex refraction index of carbon nitride films were determined by spectroscopic ellipsometry...
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Dynamical objectivity in quantum Brownian motion
PublikacjaClassical objectivity as a property of quantum states —a view proposed to explain the observer-independent character of our world from quantum theory, is an important step in bridging the quantum-classical gap. It was recently derived in terms of spectrum broadcast structures for small objects embedded in noisy photon-like environments. However, two fundamental problems have arisen: a description of objective motion and applicability...
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Data Analysis in Bridge of Data
PublikacjaThe chapter presents the data analysis aspects of the Bridge of Data project. The software framework used, Jupyter, and its configuration are presented. The solution’s architecture, including the TRYTON supercomputer as the underlying infrastructure, is described. The use case templates provided by the Stat-reducer application are presented, including data analysis related to spatial points’ cloud-, audio- and wind-related research.
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Experimental and theoretical studies on the Sulfamethazine-Urea and Sulfamethizole-Urea solid-liquid equilibria
PublikacjaThe miscibility of active pharmaceutical ingredients with excipients is an important aspect in pharmaceutical technology protocols. In this study, the differential scanning calorimetry (DSC) was used for Sulfamethazine-Urea (SI–U) and Sulfamethizole-Urea (SO–U) solid-liquid phase diagrams determination. Both sulfonamides form simple binary eutectics with Urea. The lack of new co-crystal phase formation was confirmed by inspection...
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Antitumor Activity of Triazine Mimic Antibiotics for DNA-binding Implications (Impressive Activity in Vitro Against a Variety of Tumor Types in the NCI-60 Screen): NSC 710607 To Fight HCT-116 Human Colon Carcinoma Cell Lines in Vivo Using the Hollow Fiber Assay and Xenograft Mouse Models
PublikacjaPurpose Successful clinical applications of DNA-directed selective cytotoxic agents disrupt the vital replication/transcription processes and ultimately lead to cancer cell death. This study aimed to examine the growth screen of two lead triazine compounds in a number of cell lines and xenografts and to develop anticancer agents with noncovalent binding affinity bringing fewer side effects. Methods The NCI initial hollow...
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Superhydrophobic and superoleophilic melamine sponges impregnated with deep eutectic solvents for oil spill cleanup
PublikacjaThe extensive extraction of oil from the bottom of seas and oceans and its transportation by tankers increase the risk of potential environmental disasters associated with hydrocarbon fractions entering water reservoirs. Therefore, this paper presents the preparation of a simple impregnation of a melamine sponge with deep eutectic solvents (DES), which can be obtained from natural sources, including coconut oil, palm kernel oil,...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublikacjaThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Superhydrophobic sponges based on green deep eutectic solvents for spill oil removal from water
PublikacjaThe paper described a new method for crude oil-water separation by means of superhydrophobic melamine sponges impregnated by deep eutectic solvents (MS-DES). Due to the numerous potential of two-component DES formation, simple and quick screening of 156 non-ionic deep eutectic solvents using COSMO-RS (Conductor-like Screening Model for Real Solvents) computational model was used. DES which were characterized by high solubility...
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Novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(1,3,5-triazin-2-ylamino)guanidine derivatives: Inhibition of human carbonic anhydrase cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII, anticancer activity, and molecular modeling studies
PublikacjaA series of novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(6-substituted-4-chloro-1,3,5-triazin-2-ylamino)guanidine derivatives 9–20 have been synthesized by substitution of chlorine atom at the 1,3,5-triazine ring in compounds 5–8 with 3- or 4-aminobenzenesulfonamide and 4-(aminomethyl)benzenesulfonamide hydrochloride. All the synthesized compounds were evaluated for their inhibitory activity toward hCA I, II,...
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Two-body dissociation of isoxazole following double photoionization – an experimental PEPIPICO and theoretical DFT and MP2 study
PublikacjaThe dissociative double photoionization of isoxazole molecules has been investigated experimentally and theoretically. The experiment has been carried out in the 27.5–36 eV photon energy range using vacuum ultraviolet (VUV) synchrotron radiation excitation combined with ion time-of-flight (TOF) spectrometry and photoelectron–photoion–photoion coincidence (PEPIPICO) technique. Five wellresolved two-body dissociation channels have...
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Technology of an adhesive silicone film as drug carrier in transdermal therapy I. Analytical methods used for characterization and design of the universal elastomer layers
PublikacjaSilicone polymers possess unique properties, which make them suitable for many different applications, for example in the pharmaceutical and medical industry. To create an adhesive silicone film, the appropriate silicone components have to be chosen first. From these components two layers were made: an adhesive elastomer applied on the skin, and a non-adhesive elastomer on the other side of the film. The aim of this study was...
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Optimization of the Relative Humidity of Reactant Gases in Hydrogen Fuel Cells Using Dynamic Impedance Measurements
PublikacjaWater management is a key factor affecting the efficiency of proton exchange membrane fuel cells (PEMFCs). The currently used monitoring methods of PEMFCs provide limited information about which processes or components that humidity has a significant impact upon. Herein, we propose the use of a novel approach of impedance measurements using a multi-sinusoidal perturbation signal, which enables impedance measurements under dynamic...
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublikacjaIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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Application of cyanated asphaltenes in gas-phase adsorption processes for removal of volatile organic compounds
PublikacjaThe paper presents an innovative, chemically modified (methylcyanated) asphaltene-based adsorbent that can be an inter-esting low-cost alternative for traditional adsorbents. Adsorption properties of adsorbents were examined by inverse gas chromatography technique, adsorption isotherms, and breakthrough curves. A significant increase in retention volume for pyridine, 2-pentanone, nitropropane, toluene, and 1-butanol was observed....
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Wpływ pracy prostownika trakcyjnego na elektroenergetyczną sieć zasilającą
PublikacjaW artykule zaprezentowano wyniki badań symulacyjnych oddziaływania prosto-wnika trakcyjnego 6-cio pulsowego na elektroenergetyczną sieć zasilającą. Przedstawiono przykładowe przebiegi napięć i prądów w sieci zasilającej, jak również przebiegi napięć na zaciskach wejściowych prostownika, uzyskane w wyniku symulacji komputerowych wykonanych za pomocą programu PSPICE 8.0.
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Revelations About Carotid Body Function Through its Pathological Role in Resistant Hypertension
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Young shoots of red cabbage are a better source of selected nutrients and glucosinolates in comparison to the vegetable at full maturity
PublikacjaCruciferous vegetables are a valuable source of ingredients with health benefits. The most characteristic compounds of cruciferous vegetables with identified anticancer properties are glucosinolates. Young shoots and sprouts of red cabbage are becoming a popular fresh food rich in nutrients and bioactive compounds. The objective of this research was to determine, for the first time in a comprehensive approach, whether young shoots...
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Influence of Urea and Dimethyl Sulfoxide on K-Peptide Fibrillation
PublikacjaProtein fibrillation leads to formation of amyloids—linear aggregates that are hallmarks of many serious diseases, including Alzheimer’s and Parkinson’s diseases. In this work, we investigate the fibrillation of a short peptide (K-peptide) from the amyloidogenic core of hen egg white lysozyme in the presence of dimethyl sulfoxide or urea. During the studies, a variety of spectroscopic methods were used: fluorescence spectroscopy...
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Genetic and pharmacologic proteasome augmentation ameliorates Alzheimer’s-like pathology in mouse and fly APP overexpression models
PublikacjaThe proteasome has key roles in neuronal proteostasis, including the removal of misfolded and oxidized proteins, presynaptic protein turnover, and synaptic efficacy and plasticity. Proteasome dysfunction is a prominent feature of Alzheimer’s disease (AD). We show that prevention of proteasome dysfunction by genetic manipulation delays mortality, cell death, and cognitive deficits in fly and cell culture AD models. We developed...
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Some accelerationist remarks on Marcuse’s drives theory and his dialectics of civilization
PublikacjaMarcuse’s theory of civilization offers a promising Freud-Marx synthesis. His approach, best articulated in Eros and Civilization, aims at a thorough reformulation of the Freudian drive doctrine to render it more historical and concatenate it to the problem of structural violence and the institutionalized (and internalized) mechanism of repression. I claim that the said reformulation provides a cornerstone for Marcuse’s highly...
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Wpływ właściwości cieczy hydraulicznej na wartość skoków ciśnienia w komorach pomp tłoczkowych osiowych
PublikacjaPublikacja dotyczy badań skoków ciśnienia w komorach roboczych pomp tłoczkowych osiowych. Skupiono się w nim na wpływie właściwości cieczy hydraulicznej na wartość skoków ciśnienia. Przeanalizowano wpływ takich parametrów jak: -gęstość, -lepkość, -ściśliwość, -zapowietrzenie. Do określenia wpływu właściwości cieczy na skoki ciśnienia wykorzystano badania laboratoryjne i symulacje komputerowe.
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Sensorless Field Oriented Control of Five Phase Induction Motor with Third Harmonic Injection
PublikacjaIn this paper, a sensorless field oriented control system of five-phase induction machine with the 3rd harmonic rotor flux is presented. Two vector models, α1-β1 and α3-β3, were transformed into d1-q1, d3-q3 models oriented in rotating frames, which correspond to the 1st and 3rd harmonic plane respectively. The authors proposed the linearization of the model in d-q coordinate frames by introducing a new variable “x” which is proportional...
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A piece of corporate finance
PublikacjaThe handbook presents the subject of financial liquidity and CVP analysis. The handbook uses different types of information: definitions of the issues; “real life” examples illustrating a given theoretical issue in practice; mathematical formulas necessary to calculate a certain value; types of method used. In addition to traditional resources such as drawings, diagrams, tables and photos, the handbook also includes resources of...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublikacjaThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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Investigation into the Effect of Spinel Pigments on the Photostability and Combustion Properties of Ethylene-Norbornene Copolymer
PublikacjaMulticolor ethylene-norbornene (EN) composites filled with three different spinel pigments (Cobalt Green-PG50, Zinc Iron Yellow-PY 119, Praseodym Yellow-PY159) were prepared by melt mixing and characterized in terms of their stability under destructive environmental conditions. The EN films were subjected to accelerated aging by ultraviolet (UV) photooxidation for 300 h, 600 h, or 900 h. The mechanical performance of the EN composites...
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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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The Arnold conjecture in $ \mathbb C\mathbb P^n $ and the Conley index
Publikacjan this paper we give an alternative, purely Conley index based proof of the Arnold conjecture in CP^n asserting that a Hamiltonian diffeomorphism of CP^n endowed with the Fubini-Study metric has at least (n+1) fixed points.
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Kompensacja skoków ciśnienia w pompie tłoczkowej o zmiennej wydajności z rozrządem krzywkowym
PublikacjaPrzedmiotem rozprawy doktorskiej jest opis matematyczny, badania i symulacja mechanizmu kompensacji skoków ciśnienia w pompie tłoczkowej z rozrządem krzywkowym typu PWK. W rozprawie przedstawiono istniejące rozwiązania konstrukcyjne pomp tłokowych, kładąc szczególny nacisk na przedstawienie stosowanych w nich mechanizmów rozrządu i kompensacji skoków ciśnienia. Ponadto szczegółowo opisano budowę i zasadę działania pompy PWK będącej...
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Investigation of the Effect of The Temperature and Magnetization Pattern on Flux Density, Instantaneous Torque, Unbalanced Magnetic Forces of a Surface Inset PMM
PublikacjaElectrical machines utilized in domestic applications such as ceiling fans should have low losses and cost. Permanent magnets are used instead of rotor excitation to reduce losses. Therefore, not only the losses of the rotor winding are eliminated, but also the efficiency of the machine is increased. A surface inset consequent pole (SICP) machine has also been used to reduce costs. Because less magnets are utilized in this structure....
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MODELOWANIE TURBINY WIATROWEJ Z DWOMA PRZECIWBIEŻNIE OBRACAJĄCYMI SIĘ WIRNIKAMI
PublikacjaW artykule przedstawiono sposoby modelowania dwuwirnikowej turbiny wiatrowej z wykorzystaniem technik Obliczeniowej Mechaniki Płynów. Omówiono uproszczone metody modelowania Actuator Disc i Actuator Line Method oraz aspekty związane z dokładnym odwzorowaniem turbiny na siatce obliczeniowej. Zaprezentowano przykładowe wyniki obliczeń turbiny dwuwirnikowej złożonej z wirników NREL o mocy nominalnej 5 MW każdy. Do wykonania badań...
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Partial hyperbolicity and central shadowing
PublikacjaWe study shadowing property for a partially hyperbolic diffeomor- phism f. It is proved that if f is dynamically coherent then any pseudotrajec- tory can be shadowed by a pseudotrajectory with “jumps” along the central foliation. The proof is based on the Tikhonov-Shauder fixed point theorem.
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Phase Transition in a Sequence-Structure Channel
PublikacjaWe study an interesting channel which maps binary sequences to self-avoiding walks in the two-dimensional grid, inspired by a model of protein folding from statistical physics. The channel is characterized by a Boltzmann/Gibbs distribution with a free parameter corresponding to temperature. We estimate the conditional entropy between the input sequence and the output fold, giving an upper bound which exhibits an unusual phase transition...
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ThreSpect – A Program for the Determination of the Appearance Energies of Neutral and Ionized Species
PublikacjaCollisions of photons and charged particles with molecules lead to their excitation, ionization, and dissociation into neutral and ionized fragments. Accurately determining thresholds of the formation of particular products plays a vital role in analyzing processes occurring during these interactions. Therefore, we present a computer program, “ThreSpect,” that allows calculating threshold energies of various species generated in...