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Influence of Protonation State on the Excited State Dynamics of a Photobiologically Active Ru(II) Dyad
PublicationThe influence of ligand protonation on the photophysics of a ruthenium (Ru) dyad bearing the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline (ippy) ligand was investigated by time-resolved transient absorption spectroscopy. It was found that changes in the protonation state of the imidazole group led to changes in the electronic configuration of the lowest lying excited state. Formation of the fully deprotonated imidazole...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublicationTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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A new approach of coastal cliff monitoring using Mobile Laser Scanning
PublicationThe article proposes a new approach of coastal cliff monitoring which bases on a new comprehensive monitoring system, being a combination of mobile scanning from the sea with the geotechnical stability analysis. Mobile laser scanning is an innovative solution for 3D data collection which allows the monitored object geometry to be precisely measured, thus providing opportunities for series of analyses contributing to the development...
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Preliminary estimation of groundwater recharge on Brda river outwash plain
PublicationEstimation of groundwater recharge is one of the most challenging subjects in hydrogeology. It is a critical factor influencing the pollution migration, assessment of aquifer vulnerability to contamination, small-scale groundwater budget calculation, modeling of nutrient cycling and detailed flow path calculations. In Poland an infiltration rate method is widely used, which depends on a system of rate coefficients referring to...
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Fractional Calculus Evaluation of Hyaluronic Acid Crosslinking in a Nanoscopic Part of Articular Cartilage Model System
PublicationThis work presents a study of the mechanism of physical crosslinking of hyaluronic acid in the presence of common phospholipids in synovial joint organ systems. Molecular dynamic simulations have been executed to understand the formation of hyaluronan networks at various phospholipid concentrations. The results of the simulations suggest that the mechanisms exhibit subdiffusion characteristics. Transportation quantities derive...
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Experimental study of the use of electric car powered with stationary solar and electrochemical batteries in Northern Poland
PublicationThe subject of this paper is an experimental analysis of a Nissan LEAF electric car equipped with 24 kWh battery, powered from the standalone photo-voltaic (PV) charging station in Gdańsk, Poland. The calculations of charging process efficiency and range of test drives were conducted in two extreme situations (winter and summer) of sunlight and road conditions. Experiments were performed in the Laboratory of Innovative Power Technologies...
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The CFD analysis of influence the start of fuel injection (SOI) on combustion parameters and exhaust gas composition of the marine 4-stroke engine
PublicationThe paper presents a theoretical analysis of the impact of injection timing on the parameters of the combustion process and the composition of exhaust gas from a 4-stroke engine designed to shipbuilding. The analysis was carried out based on a three-dimensional multi-zone model of the combustion process. This model has been prepared on the basis of properties of the research facility. The input data to the model were obtained through...
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Real-Time Basic Principles Nuclear Reactor Simulator Based on Client-Server Network Architecture with WebBrowser as User Interface
PublicationThe real-time simulator of nuclear reactor basic processes (neutron kinetics, heat generation and its exchange, poisoning and burn- ing up fuel) build in a network environment is presented in this paper. The client-server architecture was introduced, where the server is a pow- erful computing unit and the web browser application is a client for user interface purposes. The challenge was to develop an application running under the...
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Nonlinear phenomena of small-scale sound in a gas with exponential stratification
PublicationThe nonlinear dynamics of perturbations, quickly varying in space, with comparatively large characteristic wavenumbers k: k>1/H, is considered. H is the scale of density and pressure reduction in unperturbed gas, as the coordinate (H is the so-called height of the uniform equilibrium gas). Coupling nonlinear equations which govern the sound and the entropy mode in a weakly nonlinear flow are derived. They describe the dynamics...
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Hydrogen production from wood waste by mean of dark fermentation
PublicationThe utilization of wood wastes in clean and green chemistry method like by mean of dark fermentation, is a highly desired solution of waste management. In the article model for the estimation hydrogen potential of wood waste is given. The model has been used to calculate the potential theoretical hydrogen mass that can be produced from wood wastes in Pomerania and Silesia: pine, spruce, fir, beech and oak. In the introduction,...
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Stability analysis of a dike constructed of anthropogenic materials
PublicationNumerical analyses of stability are presented for a hypothetical dikes constructed of dredged materials and bottom ash, in varying proportions. The paper is related to the international research project DredgDikes, which focused on the use of anthropogenic materials in dikes construction and flood protection. The aim of this project was to investigate the possibility of using anthropogenic materials from rivers and sea dredging...
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Fundamenty palowe, obliczenia z zastosowaniem zasad Eurokodu 7 i doświadczeń krajowych
PublicationPrzedstawiono zagadnienia obliczania fundamentów palowych w nawiązaniu do zaleceń Eurokodu 7. Zwrócono uwagę, że zgodnie z założeniami Eurokodu 7, projektant i inżynier ma swobodę w wyborze metod obliczeniowych.Przytoczono i zarekomendowano metody i propozycje miedzy innymi obliczania statycznego układów palowych, określania nośności pali, prognozowania osiadań fundamentów palowych oraz charakterystyk obciążenie-osiadanie pali...
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Instalacje fotowoltaiczne w budownictwie wielorodzinnym
PublicationArtykuł opisuje wpływ instalacji fotowoltaicznych na bezpieczeństwo eksploatacji budynków wielorodzinnych. W oparciu o projekty rzeczywistych obiektów przeprowadzono analizę zwiększenia ryzyka strat odgromowych, zmiany obciążenia konstrukcji dachu i wzrostu zagrożenia pożarowego na skutek montażu systemu fotowoltaicznego. Przeprowadzone obliczenia wskazują na konieczność kompleksowego podejścia do projektowania instalacji fotowoltaicznych....
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The Concept of Accuracy Analysis of the Vertical Displacements Gained from the Hydrostatic Levelling Systems’ Measurements
PublicationAbstract: Nowadays, hydrostatic levelling is a widely used method for the vertical displacements’ determinations of objects such as bridges, viaducts, wharfs, tunnels, high buildings, historical buildings, special engineering objects (e.g., synchrotron), sports and entertainment halls. The measurements’ sensors implemented in the hydrostatic levelling systems (HLSs) consist of the reference sensor (RS) and sensors located on the...
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Influence of bush wear in water lubricated marine stern tube bearings with shaft misalignment
PublicationWater lubricated propeller shaft bearings are frequently employed on modern ships due to their advantages such as durability, simplicity and low price. Specific working conditions on ships cause shaft misalignment which often results in rapid wearing of bush and shaft. Shaft misalignment could be an effect of manufacturing or assembly faults but sometimes it appears due to hull or shaft deformation. The wearing process has influence...
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Consideration of dynamic loads in the determination of axle load spectra for pavement design
PublicationAxle load spectra constitute a crucial part of the data for pavement design and pavement distress analysis. Typically, axle load spectra represent static load from vehicles and do not include dynamic loads generated by vehicles in motion. While dynamic loads can significantly contribute to faster pavement distress, this fact is mostly omitted in pavement design methods. The paper presents a methodology for consideration of dynamic...
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Scale effect in the self-propulsion prediction for Ultra Large Container Ship with contra-rotating propellers
PublicationThis article addresses the problem of the scale effect for an Ultra Large Container Ship (ULCS) with a novel twin-crp-pod propulsion system. Twin-crp-pod steering-propulsion arrangement is an innovative solution that gains from three well-known systems: twin-propeller, contra-rotating propellers and pod propulsors. It is expected that applying the twin-crp-pod system to the analysed Ultra Large Container Ship will increase propulsion...
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Syntetyczne wskaźniki oceny stanu toru
PublicationJakość geometryczna toru analizowana jest w różnych celach, a dane podlegają różnemu stopniowi agregacji. Pojedyncze nierówności toru analizowane są zazwyczaj z uwagi na bezpieczeństwo i służą do planowanie napraw w krótkich terminach. Natomiast agregacja pomierzonych parametrów pozwala na planowanie robót w terminach średniookresowych i budowę modeli predykcji. W artykule przedstawiono zagregowane wskaźniki jakości geometrycznej...
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Wpływ właściwości czynników chłodniczych na straty egzergii w pompie ciepła (Influence of Refrigerants Properties for Exergy Losses in Heat Pump)
PublicationArtykuł poświęcony jest wpływowi występujących w pompie ciepła strat egzergii na jej efektywność energetyczną, a co za tym idzie koszty funkcjonowania instalacji. Autorzy prezentują tu metodologię obliczeniową, która może być zastosowana w procesach projektowania układów cieplno-przepływowych. Obliczenia zostały wykonane na podstawie typowego układu powietrznej pompy ciepła pracującej w klimacie środkowo-europejskim. Ponadto w...
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Sposoby przykładania obciążenia zmiennego na konstrukcję płytowo-słupową
PublicationW pracy przedstawiono analizę porównawczą wybranych metod zadawania obciążenia zmiennego na konstrukcje płytowo-słupową. Przeanalizowano pięć sposobów rozkładu obciążenia na płytę stropową. Wyniki momentów zginających i przemieszczeń w wybranych punktach dla analizowanych przypadków porównywano z wartościami ekstremalnymi obliczonymi na podstawie powierzchni wpływu (Wariant 1). Wykonane obliczenia pozwoliły na wskazanie zalecanej...
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Przyczółki mostowe wspomagane konstrukcjami z gruntu zbrojonego
PublicationW referacie przedstawiono syntezę prac związanych z oceną projektów przyczółków wykorzystujących odciążenie w postaci konstrukcji z gruntu zbrojonego geosyntetykami, realizowanych na drogach ekspresowych S3 i S7. W ramach przeprowadzonych audytów dokonano oceny zastosowanych rozwiązań szczegółowych i materiałów jak również obliczeń zamieszczonych w projektach. Zwrócono szczególną uwagę na przestrzenną prace bloków z gruntu zbrojonego...
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Cargo ships heat demand - operational experiment
PublicationThe 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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A general approach to study molecular fragmentation and energy redistribution after an ionizing event
PublicationWe 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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LNG TANK IN ŚWINOUJŚCIE: NONLINEAR ANALYSIS OF THE TANK DOME ELEMENTS BEHAVIOUR
PublicationIn 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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Performance of isotropic constitutive laws in simulating failure mechanisms in scaled RC beams
PublicationResults 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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Numerical simulations of novel GFRP sandwich footbridge
PublicationIn the following paper some aspects of numerical analysis and designing stages of a footbridge made of composite materials are elucidated. Because of the used materials the design process in this case is not ordinary and requires the development of concepts, material selections, identification of material properties, numerical simulations, strength calculations, serviceability and durability analyses. This contribution presents...
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Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE
PublicationThis paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation framework to be used in many new fields such as quantum mechanics. The implementation details and associated gains in the accuracy of the results are discussed. Besides the "standard" double (64 bits)...
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Accuracy Analysis of Determination the Vertical Displacements in Unstable Reference System
PublicationMeasurements of horizontal and vertical displacements are carried out mostly based on reference points identified as fixed. In surveying practice there may be some situations in which there is not possible to perform the measurements with reference to stable points or the difficulties in identification of points’ stability may arise. Accuracy analysis based on the covariance matrices have a special role in this process. In presented...
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Protein thermal stabilization in aqueous solutions of osmolytes
PublicationProteins’ thermal stabilization is a significant problem in various biomedical, biotechnological, and technological applications. We investigated thermal stability of hen egg white lysozyme in aqueous solutions of the following stabilizing osmolytes: Glycine (GLY), N-methylglycine (NMG), N,N-dimethylglycine (DMG), N,N,N-trimethylglycine (TMG), and trimethyl-N-oxide (TMAO). Results of CD-UV spectroscopic investigation were compared...
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Investigations of Aerodynamics of Tesla Bladeless Microturbines
PublicationThe paper presents an analysis of a Tesla bladeless turbine for a co-generating micro-power plant of heat capacity 20 kW, whichoperates in an organic Rankine cycle with a low-boiling medium. Numerical calculations of flow in several Tesla turbine models areperformed for a range of design parameters. Results of investigations exhibit interesting features in the distribution of flowparameters within the turbine interdisk space. The...
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Kinetic analysis of the stage for a high speed steam turbine
PublicationThis article analyzes possibilites of resonances within a control stage for a high speed steam turbine. This stage hase been based on assembling of a single blade to a rotating disk and increasing of rigidity of the system by using of a bandage. In the analysis will be nd a possiblity of resonance frequency, and mistuning by showing safety working ranges. The calculations have bean used the3D modal and harmonic analysis by the...
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Modeling the electrical characteristics of P3HT:PCBM bulk heterojunction solar cells: Influence of the interface recombination
PublicationThe interface recombination of charge carriers located in the material with lower permittivity (Szmytkowski 2009 Chem.Phys.Lett. 470 123) has been implemented for the first time to calculate the electrical characteristics of the donor-acceptor P3HT:PCBM bulk heterojunction solar cell. In order to estimate the photocurrent density in this system, a simple analytical formula has been derived. We have obtained a very good agreement...
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Do positrons measure atomic and molecular diameters?
PublicationWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Do new EU members have any chance of earning as much as Westerns do?
PublicationThis article examines the wage dispersion in the European Union in the last ten years (1996-2006). The research is motivated by the fact that New Members States (NMS) expected that wage convergence would occurred after their accession to the EU. At the same time Old Member States (OMS) have been increasingly concerned with the possibility that the EU enlargement could influence their local labor markets and wages through new channels...
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1,3-alternate calix[4]arene-bonded silica stationary phases. Effect of calixarene skeleton substituents on the retention mechanism and column selectivity
PublicationFour novel 1,3-alternate calix[4]arene-bonded silica gel stationary phases possessing different aromatic and aliphatic substituents at the upper rim (CalixNph, CalixBph, CalixHex and CalixDdc) were prepared and structurally characterized. The comparison and selectivity of these phases was done by using alkylbenzenes, fatty acid p-bromophenacyl esters, aromatic positional isomers and polynuclear aromatic hydrocarbons as analytes....
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Alternative Approach to Convolution Term of Viscoelasticity in Equations of Unsteady Pipe Flow
PublicationIn the paper the selected aspects concerning description of viscoelastic behavior of pipe walls during unsteady flow are analyzed. The alternative convolution expression of the viscoelastic term is presented and compared with the corresponding term referring to unsteady friction. Both approaches indicate similarities in the forms of impulse response functions and the parameter properties. The flow memory was introduced into convolution...
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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublicationIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
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CeIr3: superconductivity in a phase based on tetragonally close packed clusters
PublicationWe 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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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublicationA 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
PublicationTo 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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Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation
PublicationThe 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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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublicationThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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Stripe order and magnetic anisotropy in the S=1 antiferromagnet BaMoP2O8
PublicationMagnetic behavior of yavapaiite-type BaMoP2O8 with the spatially anisotropic triangular arrangement of the S=1Mo4+ ions is explored using thermodynamic measurements, neutron diffraction, and density-functional band-structure calculations. A broad maximum in the magnetic susceptibility around 46 K is followed by the stripe antiferromagnetic order with the propagation vector k=(12,12,12) formed below TN≃21 K. This stripe phase is...
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Local and global response of sandwich beams made of GFRP facings and PET foam core in three point bending test
PublicationIn 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
PublicationThe 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
PublicationSuperconductivity 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.
PublicationDifferential 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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Unassisted formation of hemiaminal ether from 4-aminopyridine and o-vanillin - experimental and theoretical study
PublicationThe reactions between o-vanillin and three isomeric aminopyridines lead to imines of diverse spatial conformation and reactivity. The direct products of these simple reactions carried out in methanol are either imine compounds formed in the reactions of 2- amino- and 3-aminopyridine with o-vanillin or the α-aminoether formed in the reaction of o-vanillin with 4-aminopyridine. The Schiff-type derivative of 4-aminopyridine and o-vanillin,...
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Load testing of a suspended footbridge in Radom (Poland)
PublicationThe 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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The impacts of final demands changes on the total outputs of Japanese industrial sectors: A further study
PublicationThe 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...