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Wyniki wyszukiwania dla: calculations
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Theoretical study of highly-excited states of KRb molecule
PublikacjaSemi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...
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Experimental investigations on pressure drop during the condensation in flow of HFE7000 in vertical minichannel
PublikacjaIn the work presented in the paper authors focused attention on the issues of flow resistance and pressure drop during condensation in the flow. The case of the descending flow through a cylindrical single-channel of 2.3 mm inner diameter was carefully analyzed. In the course of investigations a new working fluid HFE 7000 has been scrutinised which has a strongly differing properties in comparison to the other fluids that are commonly...
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Scientific research in the Department of Machine Design and Automotive Engineering
PublikacjaShort descriptions of various research subjects taken up at the Department of Machine Design and Automotive Engineering are included in the paper. The subjects cover a wide range of bearing systems and tribology research and the research on tires and road surfaces. A third field of activity is biomedical engineering – with the attempts to improve methods of modelling biological materials in FEM calculations. The Department has...
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Subsoil degradation effect in reliability analysis of the jack-up platform structure
PublikacjaStructural reliability analysis is considered, by FORM and SORM applied to a certain idealized soil-platform structure interaction problem due to cyclic water wave and wind loads. Wave and wind loads are random variables, whereas dead load is deterministic. Load parameters are typical for storm conditions in the Baltic Sea. The soil-structure interaction is idealized as a set of linear translational and rotational springs. Due...
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Sulfurization of phosphanylphosphinidene ligand: Access to phosphinothioyltrithiophosphonato platinum(II) complexes
PublikacjaThe reactivity of phosphanylphosphinidene Pt(0) complexes [DppePt(η2-P–PtBu2)] (1) and [(pTol3P)2Pt(η2-P–PtBu2)] (2) toward sulfur was studied. Reactions of 1 and 2 with an excess of sulfur led to the formation of the first transition metal complexes 3 and 4 with phosphinothioyltrithiophosphonato ligands with the formula [tBu2P(=S)–P(=S)S2]2-. In contrast to previous reports on the phosphanylphosphinidene moiety sulfurization,...
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Interaction of low energy electrons with formic acid monomer, dimer and trimer
PublikacjaConfigurations of the formic acid monomer, dimer and trimer are presented. We have calculated the total energies for these structures. We have considered also the negatively charged clusters and discussed the possible pathways of interaction of low energy electrons with monomers and clusters. Calculations have been executed using 6-311G** and 6-311++G** basis sets. The electron affinities of monomer and clusters are presented....
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Stability of cylindrical steel silos composed of corrugated sheets and columns based on FE analyses versus Eurocode 3 approach
PublikacjaComprehensive static and dynamic 3D stability finite element analyses of a cylindrical steel silo composed of corrugated sheets and open thin-walled vertical stiffener profiles were carried out by taking the geometric and material non-linearity into account. The silowas subjected to axisymmetric and non-axisymmetric loads imposed by a bulk solid following Eurocode 1. Theoretical and measured initial geometric imperfections were...
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Nośność konstrukcji gruntowo-łukowej prefabrykowanego wiaduktu w świetle obliczeń numerycznych i badań „in situ”
PublikacjaWartykule przedstawiono analizy przeprowadzone dla wiaduktu WK-15 Pomorskiej Kolei Metropolitalnej wykonanego w technologii łuków prefabrykowanych przykrytych gruntem (system TechSpan). W celu weryfikacji obliczeń numerycznych wykonano próbne obciążenie konstrukcji. Przedstawiono wyniki pomiarów naprężeń i prezmieszczeń konstrukcji. Odniesiono się krytycznie do zastosowanego modelu obliczeniowego.
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Vehicle Dynamics - L-15/C-15/L-15/P-15, Design and Production Engineering, WIMiO, undergraduate studies, engineering studies, full-time (stationary) studies, 2021/2022, se06, (M:320383W0), summer semester 2023/2024
Kursy OnlineModuł przedmiotów wybieralnych, MiBM, I stopień, specjalność w j. angielskim: Design and Production Engineering (DaPE), semestr 6?, (przedmiot dla Chińczyków), Lecture: Throttle by tyred wheel: slip rolling, rolling with tyre strain, vertical and lateral surface reactions, traction, energetic looses, forces in contact path. Drugs of movement: rolling, air, gradient, inertia, cornering and towing. Forces ant torques acting to vehicle...
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Organic Supercritical Thermodynamic Cycles with Isothermal Turbine
PublikacjaOrganic Rankine cycles (ORC) are quite popular, but the overall efficiencies of these plants are rather very low. Numerous studies have been conducted in many scientific centers and research centers to improve the efficiency of such cycles. The research concerns both the modification of the cycle and the increase in the parameters of the medium at the inlet to the turbine. However, the efficiency of even these modified cycles rarely...
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Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
PublikacjaA series of new linear trisubstituted N1-acylamidrazones have been investigated using a variety of analytical techniques and theoretical calculations to check the influence of the type of N1-acyl substituent on the resonance forms and conformational behavior in the solid state and in solution. The 1D- and 2D-NMR experiments, supported by computational studies, revealed that in solution all amidrazones exhibit conformational syn/anti...
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COMPARISON OF PREDICTIVE METHODS FOR FLOW BOILING HEAT TRANSFER IN CONVENTIONAL CHANNELS AND MINICHANNELS – THE EFFECT OF REDUCED PRESSURE
PublikacjaIn the paper are presented the results of follow on studies from [1]–[3] using authors own model to predict heat transfer coefficient during flow boiling. The model has been tested against a large selection of experimental data collected from various researchers to investigate the sensitivity of the in-house developed model. The collected experimental data came from various studies from literature and were conducted for the full...
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A comparison of structural and luminescence properties of lead(II) coordination polymers with isomeric thiophenecarboxylate ligands
PublikacjaTwo new lead(II) coordination polymers with isomeric thiophenecarboxylates, namely [Pb(2tpCOO)2]n (1) and [Pb(3tpCOO)2(H2O)]n (2) (2tpCOO− = thiophene-2-carboxylate, 3tpCOO− = thiophene-3-carboxylate), were synthesized and characterized. Single crystal X-ray crystallography revealed a distorted pentagonal pyramidal geometry {PbO6} around Pb in 1 and a distorted dodecahedral geometry {PbO8} in 2. The distortion derived from the...
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Emerging oxidized and defective phases in low-dimensional CrCl3
PublikacjaTwo-dimensional (2D) magnets such as chromium trihalides CrX3 (X ¼ I, Br, Cl) represent a frontier for spintronics applications and, in particular, CrCl3 has attracted research interest due its relative stability under ambient conditions without rapid degradation, as opposed to CrI3. Herein, mechanically exfoliated CrCl3 flakes are characterized at the atomic scale and the electronic structures of pristine, oxidized, and defective...
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Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular and supramolecular structures and photoluminescence properties of Pb(ii) polymers
PublikacjaTo evaluate the impact of the flexible positional isomeric ligands thiophene-2-acetate (2tpacCOO) andthiophene-3-acetate (3tpacCOO) on the construction and self-assembly process of Pb(II) polymers, twonovel compounds, [Pb(2tpacCOO)2(H2O)]n(1) and [Pb(3tpacCOO)2]n(2), were preparedviaanonhydro-thermal method with respect to green chemistry rules. The obtained polymers were fully characterized byelemental analysis, TG/DTG and PXRD,...
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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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Meso‐scale analyses of size effect in brittle materials using DEM
PublikacjaThe paper describes numerical meso-scale results of a size effect on strength, brittleness and fracture in brittle materials like concrete. The discrete element method (DEM) was used to simulate the size effect during quasi-static splitting tension with the experimental-based meso-structure. The two-dimensional (2D) calculations were carried out on concrete cylindrical specimens with two diameters wherein two different failure...
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Przyczółki mostowe z konstrukcją odciążającą z gruntu zbrojonego geosyntetykami
PublikacjaPrzegląd najważniejszych cech geotekstyliów i wyrobów pokrewnych, zastosowanych do budowy bloków odciążających ze szczególnym uwzględnieniem ich wytrzymałości długo i krótkookresowej oraz reologii. Określenie obciążeń działających na konstrukcję gruntową współpracującą z przyczółkiem; obciążenia normowe i rzeczywiste. Obliczenia konstrukcji z gruntu zbrojonego współpracującej z przyczółkiem
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Fire Weather Index data for Poland (March – September 2019) based on high-resolution Weather Research and Forecasting Model
Dane BadawczeThis dataset contains forecasted FWI indices calculated for the period: March 1 - September 30, 2019, based on the meteorological fields derived from the Weather Research and Forecasting Model (WRF) ver. 4.2.1. For each day FWI data with the forecast range equal 24 and 48 hour were stored in GeoTIFF files. In addition, soil moisture and temperature...
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Parameters of land reference points in the Gdynia region and the Free-air anomaly grid of the South Baltic
Dane BadawczeThe data was registered during the campaign to verify the catalog value of the absolute point coordinates [point 5403 (POLREF-GORA DONAS)] of the national gravimetric control network. The data was recorded in two three-hour stationary measurement campaigns at the following points: Rozewie of the EUREF-POL network, Góra Donas POLREF, and mareograph points...
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Modele numeryczne uwzględniające tarczową pracę pokrycia dachowego z blach trapezowych
PublikacjaW artykule porównano wybrane sposoby uwzględniania w modelowaniu numerycznym tarczowej pracy pokrycia dachowego z blachy trapezowej, możliwe do zrealizowania w programie Autodesk Robot Structural Analysis Professional 2015, w celu oceny słuszności stosowania ich do obliczeń konstrukcji nośnej współpracującej z poszyciem z blachy trapezowej. Analizy przeprowadzono dla pojedynczej przepony. Za pomocą powłokowych elementów skończonych...
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A multistage turbine for a micro power plant
PublikacjaThis paper presents results of a design analysis of a multi-stage turbine for the cogeneration micro-power plant working in accordance with Organic Rankine Cycle (ORC). The heat power of the plant is assumed equal to 20 kW and the corresponding available electric output is estimated to be of about 3 kW. Different variants of the radial and axial-flow turbines have been considered, while the detailed results of the calculations...
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One Europe, one product, two prices - the price disparity in the EU
PublikacjaThe price dispersion in the European Union in the last fifteen years (1990-2005) is analysed. The analysis of price convergence is examined on aggregate and disaggregate levels. The macro approach is based on Comparative Price Level index calculated as the ratio between PPPs and exchange rate. The disaggregate analysis utilizesactual prices of 148 individual products sold in the 15 capital cities of the EU. The calculations comprise...
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Analysis of magnetic field of Hemholtz's coils and ferromagnetic objects
PublikacjaThe 3-axis fluxgate magnetometer requires conducting a precise calibration in the magnetic field whose value is determined and which is characterized by the high uniformity of the distribution of the field, especially along the axis of the sensors. The generation of the magnetostatic field characterized by the high uniformity, can be achieved by using the Helmholtz's coils. The requirements of the uniformity of distribution of...
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Superconducting properties and electronic structure of NaBi
PublikacjaResistivity, dc magnetization, and heat capacity measurements are reported for superconducting NaBi. Tc, the electronic contribution to the specific heat γ, the ΔCp/γTc ratio, and the Debye temperature are found to be 2.15 K, 3.4 mJ mol−1 K−2, 0.78, and 140 K respectively. The calculated electron–phonon coupling constant (λep = 0.62) implies that NaBi is a moderately coupled superconductor. The upper critical field and coherence...
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Molecular geometry and optical activity of helically chiral N-nitrosamines derived from 1,2,3,4-tetrahydro- and 1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline
PublikacjaX-ray crystallographic analysis of the title N-nitrosamines revealed that they assume helical conformations in the solid state. Nitrosamines 1b and 2b were resolved by inclusion crystallization with optically active diols (TADDOLs). The absolute configuration of the guest molecules in the complexes 1b·3b and 2b·3b was assigned as M. The optical activity of the resolved compounds is manifested by their solid state CD spectra, which...
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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublikacjaWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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Production of singlet oxygen atoms by photodissociation of oxywater
PublikacjaQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
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New Generation of Water lubricated Foil bearing - Numerical Models and Experimental Verification
PublikacjaIn the paper a new idea of foil water lubricated bearing and methodology of hydrodynamic characteristics calculations is presented. To assesses the theoretical characteristics of these bearings two different computer models were built. First is structural model coupled with fluid model. It takes into account: fluid flow in the deformed fluid gap, specific design of bearing support and friction in bearing support. The second is...
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Sensitivity analysis of a composite footbridge
PublikacjaThis work include an example of sensitivity analysis for the design of a composite footbridge. A sandwich structure is used, consisting two high-strength skins separated by a core material. The analysis was conducted for two numerical models. The first one is a simple, single-span beam of a composite cross-section (laminate and foam), with different Young’s modulus for each material. Calculations were made by means of a MATLAB-based...
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Polyarmonic model of synchronous generator for analysis of autonomous power generation systems
PublikacjaAbstract: This paper presents the polyharmonic modelling of synchronous generator (SG) in machine variables. The simple geometry and windings physical layout has been used for inductance calculations of a salient-pole SG. The main advantage of this model is the ease of describing an autonomous power generation system (APGS) in terms of its topology and thus providing effective analysis at the static and dynamic states, both for...
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Numerical modeling of GPR field in damage detection of a reinforced concrete footbridge
PublikacjaThe paper presents a study on the use of the ground penetrating radar (GPR) method in diagnostics of a footbridge. It contains experimental investigations and numerical analyses of the electromagnetic field propagation using the finite difference time domain method (FDTD). The object of research was a reinforced concrete footbridge over a railway line. The calculations of the GPR field propagation were performed on a selected cross-section...
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Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations
PublikacjaCalculations are reported for electron and positron scattering from isolated cytosine and thymine, where the two pyrimidinic single-ring DNA bases, in the gas-phase at energies near the elastic threshold, they reveal the special features of the dipole-driven scattering states. All molecules examined exhibit, in fact, supercritical (>1.67 D) permanent dipoles which can therefore also support, below threshold, excited bound compound...
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In situ transformation boosts the pseudocapacitance of CuNi-MOF via cooperative orientational and electronic governing
PublikacjaThe disordered arrangement and thereof inferior conductivity of 2D MOF sheets seriously hinder their practical application. Herein, we propose in situ transformation strategy to architect vertically oriented bimetallic CuNi-MOF as a self-supporting electrode, leading to a decuple high specific capacitance of 1262 C g-1 in comparison with the pristine Ni-MOF powder of 114 C g-1 at 2 A g-1. DFT calculations reveal that introduction...
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Environmentally acceptable lubricants (EAL) compared with a reference mineral oil as marine stern tube bearing lubricant – Experimental and theoretical investigations
PublikacjaThe purpose of this research is to indicate the potential differences in bearing characteristics resulting from the application of different lubricant types with the same viscosity grade. The effect of different environmentally acceptable lubricants (EALs) on hydrodynamic journal bearing properties is studied experimentally and compared to the properties obtained after lubrication with a reference mineral oil. The results of the...
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Simplified Method of Modelling Behaviour of Ship in Waves with Partially Flooded Compartments
PublikacjaThis paper contains a description of a numerical model for calculating behaviour of ships in waves. There are many models available, but the one described here can be characterised with a set of parameters that have a decisive impact on the final values of roll motion amplitude and frequency. In this paper, it is shown how a fitting of a standard-shape hull characterised by certain readily available parameters affects...
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Sum-over-state expressions including second-order Herzberg–Teller effects for the calculation of absorption and resonance Raman intensities
PublikacjaThe sum-over-state expressions are derived to calculate the second-order Herzberg–Teller (HT) effects in absorption and resonance Raman spectroscopies. These effects depend on the second derivatives of the transition dipole moment with respect to the vibrational coordinates. The method is applied to the molecule of 1,3-butadiene using density functional theory calculations. It is found that the second-order HT effects are significant...
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COMPUTER ANALYSIS OF HYDRAULIC CONDITIONS IN A SANITARY CHAMBER
PublikacjaThis paper presents analysis of hydraulic conditions of sewage flow down the slipway (ramp) in the collecting sanitary chamber connecting 3 collectors on the inlet: ⌀600, ⌀800 and ⌀1400 and one on the outlet ⌀1600 mm, with a maximum difference of elevation 5 m. The mathematical model has been made and hydraulic calculations were carried out in steady flow conditions. Then wastewater surface elevation, energy grade line elevation,...
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Dissociation energies of protonated water clusters
PublikacjaRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n = 4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
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Analiza numeryczna i analityczna przekrycia w kształcie powłoki synklastycznej o podstawie kwadratowej
PublikacjaW pracy poruszono problem obliczania przekrycia żelbetowego w kształcie powłoki synklastycznej ściętej o podstawie kwadratowej. Przedstawiono obliczenia analityczne i numeryczne sił w powłoce. Powłoka jest poddana działaniu głównie sił ściskających, co jest korzystne dla tego typu konstrukcji. W strefie brzegowej i podporowej konieczne jest wymiarowanie na mimośrodowe ściskanie i rozciąganie z uwagi na znaczący wzrost momentów...
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Awaria ściany szczelinowej stanowiącej obudowę wykopu głębokiego
PublikacjaW artykule przedstawiono awarię ściany szczelinowej stanowiącej obudowę wykopu głębokiego. Omówiono warunki geologiczne, hydrogeologiczne i geotechniczne podłoża. Przeprowadzono analizę rozwiązań konstrukcyjnych w kolejnych oszczędnościowych modyfikacjach projektu oraz zrealizowanej wersji. Wykonano obliczenia porównawcze. Wskazano przyczyny wystąpienia awarii. In the paper a failure of diaphragm wall protecting deep excavation...
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublikacjaWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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Evaluation of the structures size in the liquid-gas flow by gamma-ray absorption
PublikacjaThe rapid development of tomography methods particularly electrical, X and gamma rays allows for a wide range of the information about flow structure. However, all of such methods are quite complicated. At the same time much simpler systems as the measuring system of gamma rays absorption, allows to obtain a all key flow information which describe the two-phase flow. In the article the results of analyzes of radiometric signal...
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An improved method for flow boiling heat transfer with account of the reduced pressure effect
PublikacjaIn the paper are presented the results using the authors own model to predict heat transfer coefficient during flow boiling. The model has been tested against a large selection of experimental data to investigate the sensitivity of the in-house developed model. In the work are presented the results of calculations obtained using the semi-empirical model on selected experimental flow boiling data of the refrigerants: R134a, R1234yf,...
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Diagnosing marine turbine engines through energy characteristics of their flow section
PublikacjaThe aim of the performed research was to develop of diagnostic method of the flow section of a marine turbine combustion engine based on the level of delamination of its energy characteristics. The here adopted diagnostic model provides for a formulation of the evaluation of the technical conditions based on the measurements of the parameters of the thermodynamic medium in the characteristic control cross-sections of the engine...
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Low-energy electron scattering from molecular hydrogen: Excitation of the X1Σg+ to b3Σu+ transition
PublikacjaWe present time-of-flight differential cross-section measurements and convergent close-coupling calculations of differential cross sections for the electron-impact excitation of the X 1 g + → b 3 u + transition in molecular hydrogen. A part of this work was recently published [M. Zawadzki et al., Phys. Rev. A 97, 050702(R) (2018)]. In this work, agreement between theory and experiment is excellent overall, and marks a transition...
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Reliability Analysis of Sea Cliff Slope Stability by Point Estimate Method
PublikacjaThe paper presents a reliability analysis of a sea cliff slope. The cliff, located in Jastrzębia Góra, is characterised by a complicated geological structure. Although currently stable, it is in fact close to the limit state. The objective of this paper is to present the point estimate method (PEM) of determining the mean value and standard deviation of the safety factor of the slope. Assuming its normal distribution, these statistical...
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Evaluation of apparent Young׳s modulus of the composite polymer layers used as sliding surfaces in hydrodynamic thrust bearings
PublikacjaHydrodynamic bearings with a polymer sliding layer are able to operate in severe conditions, mainly due to favorable properties of the polymers. The goal of this research was to evaluate apparent Young׳s modulus of two types of the polymer composite layers used for sliding surfaces in hydrodynamic bearings, as a function of temperature. The Young׳s modulus was evaluated on the basis of compression tests carried out on samples obtained...
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Analysing selection of low-temperature medium for cogeneration micro power plant
PublikacjaThe article analyses the ORC system working with dry and wet low-boiling media which are most frequently used in installations of this type. Two types of cycles were examined, which were the cycle with heat regeneration for dry media: fc72, hfe7100, R227ea, R245fa, R423a and R600a, and the cycle without heat regeneration for wet media: R11, R12, R134a, R718 and 507a. The calculations were performed for the assumed required thermal...
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Low-energy positron scattering from gas-phase tetrahydrofuran: A quantum treatment of the dynamics and a comparison with experiments
PublikacjaIn this paper we report new quantum calculations of the dynamics for low-energy positrons interacting with gaseous molecules of tetrahydrofuran. The new quantum scattering cross sections are differential and integral cross sections at collision energies between 1.0 and 25.0 eV and include a careful treatment of the additional effects on the scattering process brought about by the permanent dipole moment of the target molecule....