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Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule
PublikacjaThe ground state geometries and vibrational frequencies as well as the excitation energies and excited state gradients of the S 1(nπ*) and S 2(ππ * ) states of trans - and cis -azobenzene are investigated by several DFT methods, namely B3LYP, PBE, M06-2X, CAM-B3LYP, and ω B97X. Excited state properties and in particular gradients are also assessed using the wave function based methods EOM-CCSD and RASPT2/RASSCF. Comparison with...
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Ultrafast Intramolecular Relaxation and Wave-Packet Motion in a Ruthenium-Based Supramolecular Photocatalyst
PublikacjaThe hydrogen-evolving photocatalyst [(tbbpy)2 Ru(tpphz)Pd(Cl)2 ](2+) (tbbpy=4,4'-di-tert-butyl-2,2'-bipyridine, tpphz=tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine) shows excitation-wavelength-dependent catalytic activity, which has been correlated to the localization of the initial excitation within the coordination sphere. In this contribution the excitation-wavelength dependence of the early excited-state relaxation...
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Monometallic nanoparticles decorated and rare earth ions doped KTaO3/K2Ta2O6 photocatalysts with enhanced pollutant decomposition and improved H2 generation
PublikacjaNew, monometallic nanoparticles (MNPs) decorated surface and rare earth (RE) ions doped lattice of perovskite-type (KTaO3)/pyrochlore-type (K2Ta2O6) photocatalysts were successfully prepared by facile hydrothermal incorporation of RE ions into KTaO3/K2Ta2O6 lattices followed by photodeposition of MNPs. The impact of noble metal type (MNPs = Au, Pt, Rh) and rare earth dopant type (RE = Er, Pr) on the physicochemical properties correlated...
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A study of the electronic states of pyrimidine by electron energy loss spectroscopy
PublikacjaThe electron energy loss spectra were measured in pyrimidine at the constant electron residual energy varied from 15 meV to 10 eV and in the scattering angle range 0–180°. The spectra were analysed applying an iteration fitting procedure to resolve the energy loss bands corresponding to excitation of the electronic states of pyrimidine. The vertical excitation energies of the singlet states of pyrimidine and of a number of the...
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Electron energy-loss spectroscopy of excited states of the pyridine molecules
PublikacjaElectron energy-loss spectra of the pyridine, C5H5N, molecules in the gas phase have been measured to investigate electronic excitation in the energy range 3.5–10 eV. The applied wide range of residual electron energy and the scattering angle range from 10 ◦ to 180 ◦ enabled to differentiate between optically-allowed and -forbidden transitions. These measurements have allowed vertical excitation energies of the triplet excited...
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Research on assessment of bolted joint state using elastic wave propagation
PublikacjaThe work contains results of experimental investigation of elastic wave propagation in a bolted single-lap joint. Tests were carried out for the excitation perpendicular to the connection plane. In experimental studies, PZT transducers were used for both excitation and registration of ultrasonic waves. The analyses took into account varying contact conditions between the elements of the connection depending on the value of the...
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublikacjaThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Nonlinear Interaction of Magnetoacoustic Modes in a Quasi-Isentropic Plasma Flow
PublikacjaThe nonlinear interaction of magnetoacoustic waves in a plasma is analytically studied. A plasma is an open system. It is affected by the straight constant equilibrium magnetic flux density forming constant angle with the wave vector which varies from 0 till . The nonlinear instantaneous equation which describes excitation of secondary wave modes in the field of intense magnetoacoustic perturbations is derived by use of projecting....
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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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Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublikacjaFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
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Formation of CN (B2∑+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
PublikacjaFormation of the excited CN(B2∑+) free radicals in the photodissociation of pyridine (C5H5N) and pyrimidine (C4H4N2) molecules was investigated over the energy ranges 16–27 and 14.7–25 eV, respectively. Photon-induced fluorescence spectroscopy was applied to detect the vibrationally and rotationally excited CN radicals by recording the B2∑+→X2∑+ emission bands (violet system). The measured dissociation yield curves demonstrate...
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Features of Nonlinear Sound Propagation in Vibrationally Excited Gases
PublikacjaWeakly nonlinear sound propagation in a gas where molecular vibrational relaxation takes place is studied. New equations which govern the sound in media where the irreversible relaxation may take place are derived and discussed. Their form depends on the regime of excitation of oscillatory degrees of freedom, equilibrium (reversible) or non-equilibrium (irreversible), and on the comparative frequency of the sound in relation to...
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Four-Port Circulator Using Reduced Ground Plane Ferrite Coupled Line Junction
PublikacjaIn this paper the investigations of four-port circula-tor using longitudinally magnetized ferrite coupled line section are presented. The device is designed by cascading ferrite section with magic-T junction ensuring its even and odd mode excitation. The scattering parameters of ferrite coupled line junction are calculated using own software and verified with the use of commercial software. The even and odd excitation of ferrite...
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Vibration monitoring of structures in the light of the Polish and international requirements
PublikacjaThe paper concerns the wide range of strategies used to protect structures against man-made dynamic excitation. The most popular approaches applied worldwide are compared, and the main differences and similarities are summarized. The literature studies are supported by the results of the measurements performed on different types of real structures, which are sensitive and insensitive to the dynamic load. To make the conclusions...
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The Experimental Determination of Bearings Dynamic Coefficients in a Wide Range of Rotational Speeds, Taking into Account the Resonance and Hydrodynamic Instability
PublikacjaMethods for the experimental determination of dynamic coefficients are commonly used for the analysis of various types of bearings, including hydrodynamic, aerodynamic and foil bearings. There are currently several algorithms that allow estimating bearing dynamic coefficients. Such algorithms usually use various excitation techniques applied to rotor–bearings systems. So far only a small number of scientific publications show how...
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On forced vibrations of piezo-flexomagnetic nano-actuator beams
PublikacjaThe effect of excitation frequency on the piezomagnetic Euler-Bernoulli nanobeam taking the flexomagnetic material phenomenon into consideration is investigated in this chapter. The magnetization with strain gradients creates flexomagneticity. We couple simultaneously the piezomagnetic and flexomagnetic properties in an inverse magnetization. Resemble the flexoelectricity, the flexomagneticity is also size-dependent. So, it has...
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Fully Separated Flow Control Using DBD Plasma Actuators Located at the Leading Edge of an Airfoil
PublikacjaIn the framework of the PLASMAERO European project, experiments were conducted to investigate the authority of surface DBD plasma actuators to alter a fully separated flow around an airfoil in order to improve its aerodynamic performances in its natural stall regime. In this paper, unsteady excitation control is more specifically investigated. The key control parameter studied here is the burst frequency which periodically imposes...
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Polymer based thick films - material quality and interface resistance evaluation
PublikacjaThe properties of polymer based thick film layers mede using different resistive pastes and dipping silvers have been studied. The composite of carbon and graphite (C/Gr) conducting particles suspended in different polymer vehicles were used for preparation resistive layers. Interface resistance Rc created between dipping silver (DiAg) contact layer and resistive layer was determined from the surface potential distribution measurements...
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Lanthanide ions (Eu3+, Er3+, Pr3+) as luminescence and charge carrier centers in Sr2TiO4
PublikacjaA series of strontium orthotitanate (Sr2TiO4) samples doped with 2% of a mole of europium, praseodymium, and erbium were obtained using the solid-state synthesis method. The X-ray diffraction (XRD) technique confirms the phase purity of all samples and the lack of the influence of dopants at a given concentration on the structure of materials. The optical properties indicate, in the case of Sr2TiO4:Eu3+, two independent emission...
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Superexcited states in the vacuum-ultraviolet photofragmentation of isoxazole molecules
PublikacjaThe photofragmentation of isoxazole molecules producing excited atomic and molecular fragments has been investigated over the energy range 16-50 eV, using photon-induced fluorescence spectroscopy. The following fragments have been identified by their fluorescence: the excited hydrogen atoms H(n), n = 3-7 and the diatomic CH(A2Δ, B2Σ−), CN(B2Σ+) and C2(d3Πg) fragments. The diatomic fragments are vibrationally and highly rotationally...
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Luminescent collisions of He+ and He++ ions with H2 molecules at energies below 2 keV
PublikacjaSpectroscopic studies of collisions between He+ and He++ ions with H2 gas target have been performed in the 200–600nm wavelength range. Atomic lines of hydrogen Balmer series and several helium lines were identified and their excitation functions between 50 eV and 1keV (2keV for He++) were determined.
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Pedestrian on footbridges, vertical loads and response
PublikacjaThe paper is a synthesis of the experimental and theoretical investigations on dynamics of pedestrian bridges under vertical load The subject is divided into four issues.1) The pedestrian as a vertical dynamic load on footbridges, theoretic load function for walking and crouching.2) Crowd walking on the footbridge - pedestrian flow.3) Vertical lock-in effect.4) Response of the footbridge - numeric and side test results, -...
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Simulation of Wave Propagation in Media Described by Fractional-Order Models
PublikacjaIn this paper, algorithms for simulation of the wave propagation in electromagnetic media described by fractional-order (FO) models (FOMs) are presented. Initially, fractional calculus and FO Maxwell's equations are introduced. The problem of the wave propagation is formulated for media described by FOMs. Then, algorithms for simulation of the non-monochromatic wave propagation are presented which employ computations in the time...
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ADT in mammography
PublikacjaWe discuss limitations of the known methods of IR imaging in diagnostics of breast cancer. In conclusion we show that for practical reasons one requires new approaches because the known methods based on simple observation of external temperature distribution are not fully effective. Even advanced pattern recognition could not help too much for static images. We ask the question: may active dynamic thermography, known in nondestructive...
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Forced Vibrations in a Dynamic System That Is Damped By a Mechanism Which Trans-Pass Through Its Singular Position
PublikacjaThe paper focuses on forced vibrations of a mechanical system. The system is composed of two structurally different parts: multibody modelled and finite elements modelled. To improve its numerical behaviour, author-proposed technique of tuning of modal properties is proposed. To combine the two sub-models, constraint equations are introduced and dynamics equations are extended with appropriate Lagrange multipliers. A slightly modified...
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Active Dynamic Infrared Thermal Imaging in Burn Depth Evaluation
PublikacjaThe aim of this study was to find the relationship between active dynamic thermography (ADT) with cold excitation and burn depth. This new modality of evaluation of burns seems to be an attractive proposal for quantitative classification, allowing proper choice of burn wound treatment: conservative or surgical, especially compared with static thermography. The work was an in vivo experiment on domestic pigs, and a small number...
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Broadband Compact Single-Layer Magic-T Junction with Separation of DC Signals between All Ports
PublikacjaA novel structure for a four-port microstrip magic-T junction is presented. The device is composed of microstrip and slotline circuits etched onto two sides of a dielectric substrate. The device is extremely compact and occupies an area more than three times smaller than similar structures recently reported in the literature. The novelty of the device lies in the use of microstrip/slotline transitions for both input ports: summation...
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Reliability assessment of an OVH HV power line truss transmission tower subjected to seismic loading
PublikacjaThe study focuses on the reliability of a transmission tower OS24 ON150 + 10, an element of an OVH HV power line, under seismic loading. In order to describe the seismic force, the real-life recording of the horizontal component of the El Centro earthquake was adopted. The amplitude and the period of this excitation are assumed random, their variation is described by Weibull distribution. The possible space state of the phenomenon...
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublikacjaLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
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MAGNETOACOUSTIC HEATING AND STREAMING IN A PLASMA WITH FINITE ELECTRICAL CONDUCTIVITY
PublikacjaNonlinear effects of planar and quasi-planar magnetosound perturbations are discussed. Plasma is assumed to be an ideal gas with a finite electrical conductivity permeated by a magnetic filed orthogonal to the trajectories of gas particles. the excitation of non-wave modes in the filed of intense magnetoacoustic perturbations, i.e., magnetoaciustic heating and streaming, is discussed. The analysis includes a derivation if instantaneous...
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Shaking table experimental study on the effectiveness of polymer bearings for seismic isolation of structures
PublikacjaSeismic isolation has been recognised to be a very effective way of protecting structures from damage during earthquakes. It allows us to extend the natural period of the structure and therefore avoid resonance with the ground motion. Moreover, by increasing damping in the isolation devices, more energy can be dissipated and thus the structural response can be further reduced. The aim of this paper is to show the results of the...
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A new diagnostic IR-thermal imaging method for evaluation of cardiosurgery procedures
PublikacjaTwo methods for monitoring the state of the myocardium during cardiosurgical interventions based on thermal IR imaging are presented below. These methods, called static thermography and active dynamic thermography (ADT), use information about the distribution of temperature on the surface, and an external excitation source to induce thermal transient processes in a tested object. Recording the time series of thermograms allows...
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IR-THERMAL IMAGING IN CARDIOSURGERY
PublikacjaA method for monitoring the state of the myocardium during cardiosurgical interventions based on thermal IR imaging is presented. These methods called Static Thermography and Active Dynamic Thermography (ADT) uses information about distribution of temperature on the surface and an external excitation source to induce thermal transient processes in a tested object. Recording time series of thermograms allows to calculate parametric...
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublikacjaTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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A white phosphor based on oxyfluoride nano-glass-ceramics co-doped with Eu3+ and Tb3+: Energy transfer study
PublikacjaStrontium fluoride nanocrystals doped separately with Ln3+ = Eu3+ or Tb3+ ions (95SrF2·5LnF2), as well as co-doped with both the ions (95SrF2·Eu4Tb) were synthesized for comparison. Then, glass-ceramics consisting of the mono-doped or di-doped SrF2 nanocrystals incorporated into amorphous silica (90SiO2·9.5SrF2·0.5Ln or 90SiO2·9.5SrF2·0.1EuF3·0.4Tb) were prepared by sol-gel procedure. The studied materials were characterized by...
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Tunable emission and energy transfer of B2O3–Bi2O3–AlF3 glass system doped with Eu3+/Dy3+
PublikacjaThe structure and luminescent properties of the B2O3–Bi2O–AlF3 glass system doped with Eu3+/Dy3+ ions in different molar ratios were studied. A series of glasses were synthesized by the conventional melt quenching technique. Glass transition and crystallization temperatures were examined by Differential Thermal Analysis (DTA) measurements. The amorphous character of the prepared samples was confirmed by the X-ray diffraction (XRD)...
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Self-refraction of acoustic pulses with shock fronts in some nonequilibrium media
PublikacjaThe nonlinear self-refraction of acoustic pulsed beams, which include shock fronts, is studied. The medium of sound propagation is a gas where thermodynamically nonequilibrium processes take place, such as exothermic chemical reaction or excitation of vibrational degrees of a molecule’s freedom. Comparative analysis of the features of sound propagation over gases where pure nonlinear attenuation of the shock wave occurs, and gases...
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From structure to luminescence investigation of oxyfluoride transparent glasses and glass-ceramics doped with Eu3+/Dy3+ ions
PublikacjaGlasses and glass-ceramics with nominal composition 73 TeO2– 4BaO– 3Bi2O3–18SrF2-2RE2O3 (where RE = Eu, Dy) have been synthesized by conventional melt-quenching technique and subsequent heat treatment at 370 °C for 24 h in air atmosphere. Various Eu3+ to Dy3+ molar ratio have been applied to investigate luminescence properties in both glass and glass-ceramic matrices. Especially, white light emission through simultaneous excitation...
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Fractional-order Systems and Synchronous Generator Voltage Regulator
PublikacjaModern regulators of synchronous generators, including voltage regulators, are digital systems, in their vast majority with standard structures contained in the IEEE standard. These are systems described with stationary differential equations of integral order. Differential equations of fractional order are not employed in regulators for synchronous generator control. This paper presents an analysis of the possibilities of using...
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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...
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Earthquake-Induced Pounding Between Asymmetric Steel Buildings
PublikacjaEarthquake-induced pounding between buildings has been the subject of numerous numerical and experimental studies in the resent years. The phenomenon may cause severe damage to structural elements as well as may also lead to the total collapse of colliding structures. A major reason leading to pounding between adjacent, insufficiently separated buildings results from the differences in their dynamic properties. The aim of this...
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EXPERIMENTAL ANALYSIS OF RUBBER AND STYROFOAM BUMPERS INFLUENCE ON THE COLLIDING STRUCTURES
PublikacjaPast and recent investigations of colliding structures under seismic excitation confirmed that pounding may have a significant influence on the structural response. Interactions between adjacent buildings may cause serious damage to the structures, leading even to its total collapse. The main reason of earthquake-induced pounding, besides insufficient distance between structures, are differences in stiffness or mass of colliding structures....
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Synthesis and hydrogen evolving catalysis of a panchromatic photochemical molecular device
PublikacjaA dinuclear hydrogen evolution photocatalyst [(tbbpy)2Os(tpphz)PtI2](PF6)2 (tbbpy = 4,4′-tert-butyl-2,2′-bipyridine; tpphz = tetrapyrido[3,2-a:2′,3′-c:2′′,3′′-h:2′′′,3′′′-j]phenazine) is synthesized in order to make use of the broader range of visible light absorption mitigated by the osmium center. In a first step, the activity of the complex for hydrogen evolution is investigated by evaluating the role of different electron donors...
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Electrocatalytic Gas Sensor with Reference Layer
PublikacjaThis paper presents studies of gas sensors prepared in ceramic technology with Nasicon as a solid electrolyte. Sensors work in the voltammetric mode thus based on the excitation of a sensor with a periodic potential signal while current response is recorded. The main aim is to investigate a Bi8Nb2O17 reference layer influence on sensor properties. Sensors I-V characteristics in different concentration of nitrogen dioxide have been...
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Acoustic field and the entropy mode induced by it in a waveguide filled with some non-equilibrium gases
PublikacjaThe non-linear propagation of an acoustic beam in a rectangular waveguide is considered. The medium of sound propagation, is a gas where thermodynamically non-equilibrium processes take place: such as exothermic chemical reactions or excitation of vibrational degrees of a molecule’s freedom. The incident and reflected compounds of the acoustic field do not interact in the leading order in the case of periodic weakly nonlinear sound...
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An Open Platform Tool for 2D Multipactor Simulations in Metallic Microwave Components
PublikacjaThe paper presents a computer simulation software aimed at assessing the multipactor threshold power in a rectangular waveguide working with single tone excitation. Initial tests demonstrate a strong agreement between the simulation results obtained and those from commercial software. Contrary to the existing commercial software, our tool will be provided as Open Platform, for free use and popularisation of knowledge about physical...
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Arch footbridge over Warta river in Wronki - design and construction
PublikacjaThe paper presents the concept of dynamic redesign of lively footbridge. The goal was to reduce probable dynamic excitation and change detailed structural concept. After the complex study the new design was created. In effect completely new static and dynamic properties were reached. Static and dynamic assumptions are explainde. General information, photos and drawings are presented. The final price of the project amounted to 1.25...
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A Numerical Study on Baseline-Free Damage Detection Using Frequency Steerable Acoustic Transducers
PublikacjaIn structural health monitoring (SHM) a considerable amount of damage detection algorithms based on guided waves (GW) have been developed. Most of them rely on extensive transducer networks, besides preliminary reference measurements of the structures. This originated a growing demand for hardware simplification and cost reduction of the wave-based SHM methods, driving the conception of new solutions enabling both: the reduction...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublikacjaThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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Earthquake-induced pounding between asymmetric steel buildings
PublikacjaEarthquake-induced pounding between buildings has been the subject of numerous numerical and experimental studies in the resent years. The phe-nomenon may cause severe damage to structural elements as well as may also lead to the total collapse of colliding structures. A major reason leading to pounding between adjacent, insufficiently separated buildings results from the differences in their dynamic properties. The aim of this...