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A general approach to study molecular fragmentation and energy redistribution after an ionizing event
PublikacjaWe propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectron–photoion coincidence experiments and...
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The impacts of final demands changes on the total outputs of Japanese industrial sectors: A further study
PublikacjaThe purpose of the current study is to expand the previous studies which analyze the impacts of final demands changes on the total outputs of industrial sectors of a specific country. More specifically, the study conducts the analysis regarding the impacts on the total outputs of Japanese industries. The study employs a demand-pull Input-Output (IO) quantity model, one of the calculation tools in the IO analysis. The study focuses...
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Performance of isotropic constitutive laws in simulating failure mechanisms in scaled RC beams
PublikacjaResults of numerical calculations of reinforced concrete (RC) beams are presented. Based on experimental results on longitudinally reinforced specimens of different sizes and shapes are investigated. Four different continuum constitutive laws with isotropic softening are used: one defined within continuum damage mechanics, an elasto-plastic with the Rankine criterion in tension and the Drucker-Prager criterion in compression, a...
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Cargo ships heat demand - operational experiment
PublikacjaThe paper presents the results of an experiment conducted on two cargo ships – a 5300 TEU container with a steam heating system and a 7500 dwt general cargo ship with a thermal oil system. On both ships research has been carried out using specially designed measuring equipment. After gathering data about flow velocity and temperatures (steam/ cooling water/ thermal oil/ seawater/ outside air), calculations have been done, resulting...
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LNG TANK IN ŚWINOUJŚCIE: NONLINEAR ANALYSIS OF THE TANK DOME ELEMENTS BEHAVIOUR
PublikacjaIn this paper, the dome of a tank in the Świnoujście LNG terminal is analysed. Some of the rafter ribs at the connection with hangers were not mounted during construction of the tank dome. Therefore, it has become necessary to estimate its response, which has been done with the aid of some computational models of the dome, that have been created in the finite element method environment. Different local models are studied, aiming...
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Local and global response of sandwich beams made of GFRP facings and PET foam core in three point bending test
PublikacjaIn the paper behaviour of laminated sandwich beams (FRP face sheet – PET foam core – FRP face sheet) subjected to three point bending is studied. The paper aim is to find practical descriptions enabling effective and accurate estimation of the elastic response, damage and failure of the beams, basing on experiments and static calculations. Therefore a number of tests are described, that were done on laminated coupons and foam specimens...
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Urchin-like TiO2 structures decorated with lanthanide-doped Bi2S3 quantum dots to boost hydrogen photogeneration performance
PublikacjaThe formation of heterojunctions between wide- and narrow-bandgap photocatalysts is commonly employed to boost the efficiency of photocatalytic hydrogen generation. Herein, the photoactivity of urchin-like rutile particles is increased by decorating with pristine as well as Er- or Yb-doped Bi2S3 quantum dots (QDs) at varied QD loadings (1–20 wt%) and doping degrees (1–15 mol%), and the best hydrogen evolution performance is achieved at...
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RuAl6—An Endohedral Aluminide Superconductor
PublikacjaSuperconductivity is reported in an endohedral aluminide compound, RuAl6, with Tc = 1.21 K. The normalized heat capacity jump at Tc, ΔC/γTc = 1.58, confirms bulk superconductivity. The Ginzburg–Landau parameter of κ = 9.5 shows that RuAl6 is a type-II superconductor. Electronic structure calculations for RuAl6 are explored in comparison to its structural analogue ReAl6 (Tc = 0.74 K). The stability of the phases is discussed in...
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Low energy inelastic electron scattering from carbon monoxide: I. excitation of the a3Π, a’3Σ+ and AΠ1 electronic states.
PublikacjaDifferential scattering cross sections for electron excitation of the three lowest excited electron states of carbon monoxide are obtained experimentally using low-energy electron energy-loss spectroscopy and theoretically using the R-matrix method. The incident electron energies range from near-threshold of 6.3 eV to 20 eV. Experimental scattering angles range from 20◦ to 120◦. The normalization of the experimental cross sections...
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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublikacjaA two-dimensional (2D) hydrogen-like atom with a relativistic Dirac electron, placed in a weak, static, uniform magnetic field perpendicular to the atomic plane, is considered. Closed forms of the first- and second-order Zeeman corrections to energy levels are calculated analytically, within the framework of the Rayleigh–Schrödinger perturbation theory, for an arbitrary electronic bound state. The second-order calculations are...
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Numerical modeling of exciton impact in two crystalographic phases of the organo-lead halide perovskite (CH3NH3PbI3) solar cell
PublikacjaTo improve the power conversion efficiency of solar cells based on organo–lead halide perovskites, a detailed understanding of the device physics is fundamental. Here, a computational analysis of excitons impact is reported for these types of photocell. Numerical calculations based on the model, which take into account electronic charge carriers (electrons and holes), excitons and ions, have been carried out. The role of excitons...
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CeIr3: superconductivity in a phase based on tetragonally close packed clusters
PublikacjaWe present the crystallographic analysis, superconducting and spectroscopic characterization, and theoretical modeling of CeIr3. Lattice parameters a = 5.2945(1) Å and c = 26.219(1) Å are found for the R-3m symmetry crystal structure, which are close to the literature values. CeIr3 is a moderate type-II superconductor (κ GL = 17, λ e–p = 0.65) below 2.5 K. Ce ions exhibit a strongly intermediate valence character as evidenced by...
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Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation
PublikacjaThe multiconfiguration Dirac-Hartree-Fock method is employed to calculate the continuum electron wave functions, which are then used to estimate their contribution to the atomic electric dipole moment (EDM) of 129Xe. The EDM arises from (P,T)-odd electron-nucleon tensor-pseudotensor and pseudoscalar-scalar interactions, the nuclear Schiff moment, the interaction of the electron electric dipole moment with nuclear magnetic moments,...
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The impacts of final demands changes on the total outputs of Japanese industrial sectors: A further study
PublikacjaThe purpose of the current study is to expand the previous studies which analyze the impacts of final demands changes on the total outputs of industrial sectors of a specific country. More specifically, the study conducts the analysis regarding the impacts on the total outputs of Japanese industries. The study employs a demand-pull Input-Output (IO) quantity model, one of the calculation tools in the IO analysis. The study focuses...
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Load testing of a suspended footbridge in Radom (Poland)
PublikacjaThe footbridge in Radom is a suspended bridge of an interesting architectural form. The structure was de-signed for 4 kN/m2 of crowd loading. Dynamic calculations were not included in the design. The structure’s acceptance tests took place on the 14th of October 2016. The behaviour of the footbridge in static testing met the expectations. Unfortunately, as a result of dynamic tests, dangerous behaviour of the footbridge was revealed....
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Weakly Hydrated Solute of Mixed Hydrophobic–Hydrophilic Nature
PublikacjaInfrared (IR) spectroscopy is a commonly used and invaluable tool in studies of solvation phenomena in aqueous solutions. Concurrently, density functional theory calculations and ab initio molecular dynamics simulations deliver the solvation shell picture at the molecular detail level. The mentioned techniques allowed us to gain insights into the structure and energy of the hydrogen bonding network of water molecules around methylsulfonylmethane...
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Symulacje numeryczne jako wsparcie badania właściwości barier ochronnych
PublikacjaArtykuł przedstawia możliwości wykorzystania symulacji numerycznych do badań efektywności urządzeń bezpieczeństwa ruchu drogowego w aspekcie sposobów ich konfgurowania. Obecnie w celu dopuszczenia do stosowania bariery ochronne muszą przejść specjalistyczne testy zderzeniowe. Ze względu na wysoki koszt tych badań coraz częściej producenci barier oraz inne podmioty odpowiadające za urządzenia bezpieczeństwa ruchu drogowego (brd)...
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Schemat powstawania rys na przykładzie osiowo rozciąganego pręta żelbetowego
PublikacjaW artykule przedstawiono w sposób schematyczny ideę powstawania kolejnych rys w konstrukcjach żelbetowych na przykładzie osiowo rozciąganego pręta. Opisano początkowy oraz końcowy stan zarysowania. Wyprowadzono wzór na szerokość rysy. Przedstawiono interpretację geometryczną rys dla fazy początkowego zarysowania oraz efekt tension stiffening na przykładzie elementu osiowo rozciąganego. Przedstawiono przykładowe obliczenia miary...
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Ocena kosztu cyklu życia szyn kolejowych w modernizacji układów geometrycznych
PublikacjaW pracy przedstawiono uwarunkowania historyczne, które doprowadziły do opracowania metod szacowania kosztu życia inwestycji. Opisano podstawowe założenia LCC według modelu przedstawionego w Normach oraz opracowanego w projekcie INNOTRACK. Zaproponowano połączenie powyższych metod i dostosowanie ich do oceny kosztu życia szyn kolejowych w Polce. Przedstawiono elementy wpływające na koszt utrzymania nawierzchni szynowej oraz metody...
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Technical and Economic Analysis of the Supercritical Combined Gas-Steam Cycle
PublikacjaCombined cycle power plants are characterized by high efficiency, now exceeding 60%. The record-breaking power plant listed in the Guinness Book of World Records is the Nishi-Nagoya power plant commissioned in March 2018, located in Japan, and reaching the gross efficiency of 63.08%. Research and development centers, energy companies, and scientific institutions are taking various actions to increase this efficiency. Both the gas...
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Jednoelektronowy atom Diraca w słabym polu magnetycznym
PublikacjaW rozprawie przedstawiono opis wpływu zewnętrznego stałego, słabego, jednorodnego pola magnetycznego na jednoelektronowy atom Diraca. Wykorzystując funkcje gęstości ładunku elektrycznego oraz gęstości prądu elektrycznego, rozważono procesy indukowania się w atomie dodatkowych elektromagnetycznych momentów multipolowych. Dokonano analizy indukowanego momentu dipolowego, w wyniku której uzyskano wyrażenie dla magnetyzowalności atomu....
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Rotordynamic characteristics of a chamber seal
PublikacjaThe paper presents the results of numerical and experimental investigations into pressure forces generated in a turbine labyrinth seal of a modernized type. The experiments were performed on a single-stage air model turbine of the impulse type. The experiments were performed on a single-stage air model turbine of the impulse type. The experimental data were compared with theoretical results obtained by means of CFD Fluent Code....
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Structures for parameterization, meshing and data exchange of topologically related surfaces of a ship hull
PublikacjaThis paper presents proposal of data structures for storage and processing of a parametric three-dimensional model of a midship hull sections. The model consists of coarse surfaces like: decks, frames, girders, stiffeners, brackets, partitions etc. bounded by topological relations. All workshop details are omitted as the model is intended for numeric calculations. Proposed data structures are prepared to facilitate changes in the...
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Application tool for IP QoS network design
PublikacjaDespite the fact that differentiated-service-aware network implementation has been a widely discussed topic for quite some time, network design still proofs nontrivial. Well developed software could put an end to network designer's problems. This chapter describes work, which has been aimed at creating a comprehensive network design tool, offering a fair range of functionality and high reliability. The presented tool is able to...
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Problems of analytical determination of journal bearing bush fatigue strength estimates
PublikacjaProblems connected with determination of stress distribution in sliding layer of thinwalled bearing bushes, investigated in bearing fatigue test rigs, have been presented. Using an example of plain bearings tested in the fatigue machine SMOK (built at the Gdask University of Technology) problems with obtaining a convergence of iterative procedure for determining the fatigue strength estimators of bearing alloy surface layer are...
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Combined method of multibeam sonar signal processing and image analysis for seafloor classification
PublikacjaThe combined approach to seafloor characterisation was investigated. It relies on calculation of several descriptors (parameters) related to seabed type using three types of multibeam sonar data obtained during seafloor sensing: 1) the grey-level sonar images (echograms) of seabed, 2) the 3D model of the seabed surface which consists of bathymetric data, 3) the set of time domain bottom echo envelopes received in the consecutive...
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Numerical Analysis of Impact of Energy Buoy Anchoring Configurations on its Motion and Efficiency
PublikacjaThis paper presents a numerical analysis of the impact of energy buoy mooring configurations on its movement on the wave and effectiveness. The method used to analyse the buoy movement modelling in six degrees of freedom was described in a paper presented at the Conference 2011. Simulations of the buoy movement in regular wave and power calculations were conducted for several configurations of anchoring systems and position of...
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems.
PublikacjaFluid–structure interaction technique seems to be one of the most promising possibilities for theoretical analysis of lubrication problems. It allows coupling of different physical fields in one computational task, taking into account the interaction between them. In this article, two sets of fluid–structure interaction analyses focusing on the bearing performance evaluation are presented. One analysis was applied to a water-lubricated...
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Positron scattering on molecular hydrogen: Analysis of experimental and theoretical uncertainties
PublikacjaExperiments performed in recent years on positron scattering from molecular hydrogen indicated a rise of the total cross section in the limit of zero energy, but essentially disagree on the amplitude of this rise. Mitroy and collaborators [J.-Y. Zhang et al., Phys. Rev. Lett. 103, 223202 (2009)] predicted a scattering length somewhat different from values deduced experimentally. Using a Markov chain Monte Carlo modified effective...
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Effect of Pendolino high-speed rail on the structure of buildings located the proximity of the railway tracks
PublikacjaThe following research focuses on the dynamic analysis of the impact of the high-speed train inducted vibrations on the structures located near railway tracks. The office complex chosen as the subject of calculations is located in the northern part of Poland, in Gdańsk, in the proximity of Pendolino, the high speed train route. The high speed trains are the response for the growing needs for more efficient railway system. However...
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Site-selective magnetic order of neptunium inNp2Ni17
PublikacjaWe present the results obtained by superconducting quantum interference device (SQUID) magnetometry, specific heat, and Mossbauer spectroscopy measurements carried out on Np2Ni17 polycrystalline samples. We show that long-range magnetic order, with a moment mu((2b)) similar to 2.25 mu(B), occurs below T-N = 17.5 K on the Np (2b) sites. A nontrivial situation is observed in that the other Np sites (2d) do not take part to the order...
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Comparison of the coordination geometries of Zn(II) and Cd(II) ions in complexes with water, methanol and bulky aryloxysilanethiolate ligands
PublikacjaZinc and cadmium complexes containing silanethiolate anions and methanol or water were synthesized and characterized by X-ray diffraction, FT-IR and NMR spectroscopy, and DFT calculations. Contrary to zinc, the cadmium ion utilizes very weak donors to complete its coordination sphere; it forms contacts to phenyl rings of the silanethiolate ligand. Two zinc analogs of the general formula [Zn{SSi(OAr)3}2(L)2] where L = CH3OH (2)...
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The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: II Bonding Between the C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublikacjaThe binding energy, BE of the X@C60-X@C60 homodimer and the X@C60-Y@C60 heterodimer resulting from the bond formation between the occupied X@C60 MBB and the C60 molecule was studied by means of semiempirical PM7 calculations, where X and Y denote atoms from H to Bi, excluding Tc and lanthanides. All possible combinations of N = 68 guest atoms were considered, which resulted in K = 2346 of different calculated dimers of (X@C60-Y@C60)...
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Synthesis, structural and spectroscopic properties of asymmetric schiff bases derived from 2,3-diaminopyridine
PublikacjaTwo Schiff base derivatives, 4-(2-amino-3-pyridyliminomethyl)phenol (I) and 3-(2-amino-3- pyridyliminomethyl)nitrobenzene (II ), were synthesised and characterised by spectroscopy. The structure of I was determined by single crystal X-ray diffraction studies. The asymmetric Schiff base derived from 2,3-diaminopyridine selectively recognise transition and heavy metal cations, and some anion. Ligands I and II form stable complexes...
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Numerical analysis by FEM and analytical study of the dynamic thermal behavior of hollow bricks with different cavity concentration
PublikacjaThis paper presents the investigation results on the influence of the cavity concentration in hollow bricks on static and dynamic thermal parameters: a time lag, a decrement factor, an equivalent thermal diffusivity (ETD) and an equivalent thermal conductivity (ETC). The dynamic thermal behavior of hollow bricks is studied with an optimized cavity shape to reduce the intensity of radiation and convective heat exchange. The thermal...
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublikacjaAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods
PublikacjaWe present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3–10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double...
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Spectral reflectance and transmission modeling of multi-cavity Fabry-Pérot interferometer with ZnO thin films
PublikacjaIn this paper spectral reflectance and transmission of a low-coherence fiber-optic Fabry-Pérot interferometer with thin ZnO layers is analyzed using a multi-cavity approach. In the investigated setup two standard single-mode optical fibers (SMF-28) with thin ZnO films deposited on their end-faces form an extrinsic Fabry-Pérot interferometer with air cavity. Calculations of the spectral response of the interferometer were performed...
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Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides
PublikacjaThe crystallographic, electronic transport and thermal properties of Ca2PdGe3 and Ca2PtGe3 are reported. The compounds crystalize in an ordered variant of the AlB2 crystal structure, in space group P6/mmm, with the lattice parameters a = 8.4876(4) Å/8.4503(5) Å and c = 4.1911(3) Å/4.2302(3) Å for Ca2PdGe3 and Ca2PtGe3, respectively. The resistivity data exhibit metallic behavior with residual-resistivity-ratios (RRR) of 13 for...
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Analysis of The Behavior of Foundations of Historical Buildings
PublikacjaThe article is devoted to the analysis of the behavior of the foundations of historic buildings. Some basic aspects of foundation engineering are discussed, with an emphasis placed on its development, applied techniques, and materials. Several different approaches and methods for the analysis of foundations of historical buildings are presented. A particular analysis has been focused on an example of a typical stone foundation...
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Modeling energy consumption of parallel applications
PublikacjaThe paper presents modeling and simulation of energy consumption of two types of parallel applications: geometric Single Program Multiple Data (SPMD) and divide-and-conquer (DAC). Simulation is performed in a new MERPSYS environment. Model of an application uses the Java language with extension representing message exchange between processes working in parallel. Simulation is performed by running threads representing distinct process...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublikacjaThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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Analysis of the Impact of Charging Electric Cars on the Power System Load
PublikacjaThe paper presents ways of integrating electric cars with the power system. In connection with this, daily load curves in the average working day have been developed in the G2V (Grid-to-Vehicle) and V2G (Vehicle-to-Grid) variants. The G2V solution consists in unidirectional energy flow from the power system to a vehicle’s battery. The V2G solution consists in bi-directional energy exchange between the power system and electric...
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ENHANCED MASTER CYCLE - SIGNIFICANT IMPROVEMENT OF STEAM RANKINE CYCLE
PublikacjaThe present paper focuses on an enhancement of the Master Cycle. In the first part, the paper presents a classical Master Cycle which is a modification of the double reheat Rankine cycle. This modification allows to slightly increase efficiency, resolves problems caused by superheated steam on bleeds and decreases mass flow rate of steam directed to reheat. These improvements include the implementation of a tuning turbine from...
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New Tetragonal ReGa5(M) (M = Sn, Pb, Bi) Single Crystals Grown from Delicate Electrons Changing
PublikacjaSingle crystals of the new Ga-rich phases ReGa~5(Sn), ReGa~5(Pb) and ReGa~5(Bi) were successfully obtained from the flux method. The new tetragonal phases crystallize in the space group P4/mnc (No. 128) with vertex-sharing capped Re2@Ga14 oblong chains. Vacancies were discovered on the Ga4 and Ga5 sites, which can be understood as the direct inclusion of elemental Sn, Pb and Bi into the structure. Heat capacity measurements were...
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Modelling of Longitudinal Elastic Wave Propagation in a Steel Rod Using the Discrete Element Method
PublikacjaThe paper deals with the issue of modelling elastic wave propagation using the discrete element method (DEM). The case of a longitudinal wave in a rod with a circular cross-section was considered. A novel, complex algorithm consisting of the preparation of models and simulation of elastic waves was developed. A series of DEM models were prepared for simulations, differing in discretisation and material parameters. Additional calculations...
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Visualization of a lifeboat motion during lowering along ship’s side
PublikacjaThis paper presents description of a computer program for motion visualization of a lifeboat lowered along ship’s side. The program is a post-processor which reads results of numerical calculations of simulated objects’ motions. The data is used to create scene composed of 3D surfaces to visualize mutual spatial positions of a lifeboat, ship’s side and water waving surface. Since the numerical data contain description of a simulation...
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A spatio-temporal approach to intersectoral labour and wage mobility
PublikacjaThe article presents the spatio-temporal approach for intersectoral labor and wage mobility. Analyses of interindustry mobility were performed with the use of general entropy mobility indices (GEMM). Spatio- temporal approach was obtained thanks to the separate measurement of spatial autocorrelation and regression for each set of sectoral wage and employment structure and was conducted in each year of the research period separately....
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A Spatio-temporal Approach to Intersectoral Labour and Wage Mobility
PublikacjaThe article presents the spatio-temporal approach for intersectoral labor and wage mobility. Analyses of interindustry mobility were performed with the use of general entropy mobility indices (GEMM). Spatio-temporal approach was obtained thanks to the separate measurement of spatial autocorrelation and regression for each set of sectoral wage and employment structure and was conducted in each year of the research period separately....
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Analysis of Failures of High Speed Shaft Bearing System in a Wind Turbine
PublikacjaDuring the operation of wind turbines with gearbox of traditional configuration, consisting of one planetary stage and two helical stages high failure rate of high speed shaft bearings is observed. Such a high failures frequency is not reflected in the results of standard calculations of bearing durability. Most probably it can be attributed to atypical failure mechanism. The authors studied problems in 1.5 MW wind turbines of...