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Search results for: phonon calculations
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The impact of surface slope and calculation resolution on the fractal dimension for fractures of steels after bending-torsion fatigue
PublicationThe article presents the results of the fractal dimension measurements on the fatigue fracture surfaces of 10HNAP and S355J2 steels specimens after combined bending-torsion fatigue. For smooth and ring-notched specimens, three loading conditions were analyzed: (1) bending; (2) bending-torsion; and (3) torsion fatigue. Post-failure surface topography measurements were carried out on the entire fracture surfaces using an optical...
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Implementation of magnitude calculation of complex numbers using improved alpha max plus beta min algorithm
PublicationThe paper presents the hardware implementation of the improved alpha max plus beta min algorithm for calculating the magnitude of complex numbers. This version of the algorithm requires the general division which is performed using a noniterative multiplicative division algorithm. We analyze in detail the division algorithm, its error and the impact of finite word-length signal representations on the assumed total computation error....
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FE calculations of a deterministic and statistical size effect in concrete under bending within stochastic elasto-plasticity and non-local softening
PublicationW artykule przedstawiony wyniki obliczeń MES deterministycznego i statystycznego efektu skali w belkach betonowych podczas zginania. Zastosowano model w ramach stochastycznej sprężysto-plastyczności i nielokalnego osłabienia. Belki były geometrycznie podobne. Wyniki porównano z modelem efektu skali Bazanta.
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Proton Conducting Ceramic Powder Synthesis by a Low Temperature Method
PublicationMolten salt synthesis (MSS) is a simple method for the preparation of ceramic powders with specific morphology. The main role of the molten salts is to increase the reaction rate and lower the reaction temperature. It occurs because of much higher mobility of reactants in the liquid medium than in the solid state. In this work the molten salt synthesis was applied to produce ceramic powders of La0995Ca0005NbO4 and BaCe09−xZrxY01O3....
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Proton hydration in aqueous solution: FTIR studies of HDO spectra
PublicationW artykule scharakteryzowano sfery hydratacyjne protonu w roztworze wodnym na podstawie pomiarów widm FTIR wody półciężkiej (HDO), rozcieńczonej izotopowo w H2O. Wyniki eksperymentalne skonfrontowano z obliczonymi metodami chemii kwantowej strukturami niewielkich klasterów wodnych typu H+(H2O)n. Otrzymane geometrie optymalne porównano z odległościami międzyatomowymi otrzymanymi na podstawie położeń pasm HDO. Pierwsza sfera hydratacyjna...
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Molecular Determinants of Proton Transfer in ATP Synthase FO Complex
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Dosimetric evaluation of a novel polymer gel dosimeter for proton therapy
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Proteomic Analysis of Proton Beam Irradiated Human Melanoma Cells
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Immobilized TiO2for Phenol Degradation in a Pilot-Scale Photocatalytic Reactor
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Mechanism of phenol photodegradation in the presence of pure and modified-TiO2: A review
PublicationW publikacji został przedstawiony przegląd i podsumowanie literaturowe na temat fotokatalitycznego utleniania fenolu w obecności TiO2. Opisano mechanizm rozkładu fenolu i tworzenia się rodników OH.
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Novel Class of Proton Conducting Materials—High Entropy Oxides
PublicationHere, for the first time, we present data on proton conductivity of high-entropy, single-phase perovskites. The BaZr0.2Sn0.2Ti0.2Hf0.2Ce0.2O3−δ, BaZr0.2Sn0.2Ti0.2Hf0.2Y0.2O3−δ, BaZr1/7Sn1/7Ti1/7Hf1/7Ce1/7Nb1/7Y1/7O3−δ, and BaZr0.15Sn0.15Ti0.15Hf0.15Ce0.15Nb0.15Y0.10O3−δ single-phase perovskites were synthesized. Before electrical measurements, materials were characterized using X-ray diffraction (XRD), scanning electron microscopy...
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Thermal and Chemical Expansion in Proton Ceramic Electrolytes and Compatible Electrodes
PublicationThis review paper focuses on the phenomenon of thermochemical expansion of two specific categories of conducting ceramics: Proton Conducting Ceramics (PCC) and Mixed Ionic-Electronic Conductors (MIEC). The theory of thermal expansion of ceramics is underlined from microscopic to macroscopic points of view while the chemical expansion is explained based on crystallography and defect chemistry. Modelling methods are used to predict...
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Dynamic characteristics of the proton exchange membrane fuel cell module
PublicationThe paper describes a fuel cell based system and its performance. The system is based on two fuel cell units, DC/DC converter, DC/AC inverter, microprocessor control unit, load unit, bottled hydrogen supply system and a set of measurement instruments. In the study presented in the paper a dynamic response of the proton exchange membrane (PEM) fuel cell system to unit step change load as well as to periodical load changing cycles...
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Visible light-enhanced degradation of phenol in the presence of modified TiO2
PublicationOpracowano metody otrzymywania katalizatora na bazie tlenku tytanu (IV) aktywowanego światłem widzialnym do fotokatalitycznego utleniania zanieczyszczeń. Tlenek tytanu (IV) modyfikowano wybranymi organicznymi i nieorganicznymi domieszkami. Aktywność fotokatalityczną otrzymanych próbek katalizatorów zbadano w reakcji degradacji fenolu (co= 0,21 mmol/dm3) w roztworze wodnym, w obecności światła widzialnego (l>400). Wybrane katalizatory...
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In honor of the 70th birthday of Professor Roman Kaliszan
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Photo-acoustic response of active biological systems
PublicationZbadano dwie próbki organiczne gatunku Trunculariopsis trunculus,jedną wilgotną, drugą - suchą. W obu przypadkach zaobserwowanointensywne szerokie pasma absorpcyjne w zakresie widzialnym (żółtymi poniżej 330 nm). Widma foto-akustyczne zawierają wszystkie pasma uznane za związane z aktywnością biologiczną.
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Dissociative photo-double-ionization of the isoxazole molecules
PublicationThe five-membered heterocyclic rings are incorporated into a wide variety of structures that play a vital role in many biochemical processes. In particular, the isoxazole molecule appears in many bioactive compounds due to its unique ring structure that consists of one oxygen atom and one nitrogen atom at adjacent positions. The unique atomic composition and bond arrangement of isoxazole imply its specific electronic properties...
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Fast frequency sweep based on the model order reduction technique for calculating scattering parametersjinjFDFDj
PublicationArtykuł prezentuje ulepszoną, efektywną metodę przemiatania częstotliwościowego dla metody FDFD. Liczba równań opisujących analizowaną strukturę jest redukowana za pomocą metody redukcjirzędu modeli, a następnie macierz wynikowa jest diagonalizowana. Kosztowne czasowo odwracanie dużych macierzy jest zastąpione prostym mnożeniem małej macierz diagonalnej przez wektor. Zaprezentowana metoda przemiatania częstotliwościowego może...
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New methodology for calculating cost-efficiency of different ways of voting: is internet voting cheaper?
PublicationNew ways of voting in elections are being sought by electoral administrations worldwide who want to reverse declining voter turnouts without increasing electoral budgets. This paper presents a novel approach to cost accounting for multi-channel elections based on local elections in Estonia. By doing so, it addresses an important gap in the academic literature in this field. The authors confirm that internet voting was most cost-efficient...
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Core/Shell Quantum Dots Encapsulated in Biocompatible Oil-Core Nanocarriers as Two-Photon Fluorescent Markers for Bioimaging
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The thermoluminescence characteristics and the glow curves of Thulium doped silica fiber exposed to 10MV photon and 21MeV electron radiation
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A semi-empirical method for calculation of flow boiling heat transfer coefficients for conventional channels and small diameter tubes
PublicationW pracy przedstawiono rozważania na temat modelowania dwufazowego przepływu wrzącego w kanałach konwencjonalnych i w kanałach o małej średnicy. Przedstawiono modyfikację korelacji zaproponowanej wcześniej przez J. Mikielewicza na podstawie nowych danych eksperymentalnych, uzyskanych dla kanałów o małej średnicy. Bank danych obejmował ponad 460 punktów pomiarowych dla czynników R141b, R134a, R113, R123, R12, R11 i wody. Uzyskano...
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Non-isothermal effects in a common method for calculation of heat transfer coefficient in flow boiling and flow condensation in minichannels
PublicationW pracy przestawiono efekty nieizotermiczne w metodzie wyznaczania współczynnika przejmowania ciepła podczas wrzenia w przepływie oraz kondensacji w przepływie w minikanałach. Wyniki obliczeń porównano z badaniami eksperymentalnymi z literatury, uzyskując dobrą zgodność.
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Measurements and calculation of self inductance of testing coils used in physical transformer model construction and its frequency analysis
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Service time distribution influence on end-to-end call setup delay calculation in networks with Session Initiation Protocol
PublicationThe most important GoS parameter for networks with SIP protocol is end-to-end call setup delay. So far there were no coherent models allowing calculation of these parameters for networks with SIP protocol. Few models were developed but they are insufficient. In the paper we propose model which allows end-to-end call setup delay calculation for networks with SIP protocol. The model is using chain of M/G/1/K models and is applicable...
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A common method for calculation of flow boiling and flow condensation heat transfer coefficients in minichannels with account of nonadiabatic effects
PublicationW pracy przedstawiono metodę ogólną wyznaczania współczynników przejmowania ciepła podczas wrzenia w przepływie i kondensacji w przepływie w minikanałach z uwzględnieniem efektu nieadiabatycznego. Uwzględnia ona wpływ modyfikacji naprężeń stycznych na granicy ciecz-para na wymianę ciepła.
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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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Mathematical model of the energy consumption calculation during the pine sawn wood (Pinus sylvestris L.) drying process
PublicationThe article presents the modification of the existing mathematical model to calculate energy consumption during conventional drying process. Apart from energy consumption the model permits to estimate the time of high-temperature drying process. The drying medium is air and superheated steam mixture. The obtained calculation results were compared with conducted experimental tests of drying square-edged sawn sapwood timber (Pinus...
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Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections...
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Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublicationWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
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Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3–10.8 eV (290–115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured...
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Probing the binding selected metal ions and biologically active substances to the antimicrobial peptide LL-37 using DSC, ITC measurements and calculations
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Elastic cross-section calculations for electron collisions with XY4 (X=Si,Ge; Y=H, F, Cl, Br, I) molecules
PublicationObliczano elastyczne przekroje czynne dla tetraedrycznych związków krzemu i germanu. Otrzymane wyniki porównano z innymi dostępnymi wynikami obliczeń oraz z danymi doświadczalnymi; dla energii powyżej 100 eV uzyskano zadowalającą zgodność.
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3D calculations of aerodynamic forces causing self-excited vibrations of turbine rotor systems. Part I: Shroud seal flow inwestigations
PublicationOpisano numeryczną i doświadczalną metodę badania przepływu w uszczelnieniu nadbandażowym stopnia turbinowego. Badania numeryczne przeprowadzono programem Fluent, a badania doświadczalne wykonano na powietrznej turbinie modelowej. Uwzględniono niesymetryczny rozkład szczeliny nadbandażowej na skuteknie centrycznego położenia osi wirnika względem osi cylindra. Zamieszczono przykładowe wyniki.
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Hydrological Dry Periods versus Atmospheric Circulations in the Lower Vistula Basin (Poland) in 1954–2018
PublicationThe paper discusses the impact of atmospheric circulation on the occurrence of droughts. The research in-cludes mean monthly discharges for 7 rivers in 1954-2018. Dry periods were determined with Standardised Streamflow Indices (SSI-12). Additionally, the circulation type calendar for Central Poland was used to determine the atmospheric circulation indices: western zonal (W), southern meridional (S) and cyclonicity (C). The analyses...
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TU-D-BRB-09: Dosimetric Validation of the Proton-Sensitive BANG® 3 PRO-2 Polymer Gel Dosimeter Irradiated by Single Field Therapeutic Proton Beams
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Driving proton transfer reactions in the 2-methylfuran ring with external forces
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O-256 Evaluation of the fertility potential of semen using Proton NMR
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Investigation of OSL signal of resistors from mobile phones for accidental dosimetry
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Modification of carbon-coated TiO2 by iron to increase adsorptivity and photoactivity for phenol
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Application of TiO2-mounted activated carbon to the removal of phenol from water
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Effective processes of phenol degradation on Fe3O4–TiO2 nanostructured magnetic photocatalyst
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Investigations of non-uniform structure of the tetacene layer by photoen-hanced current
PublicationBadano stany pułapkujące nośniki w powierzchniowych obszarach warstwy tetra-cenu. W badaniach wykorzystano metodę prądów fotowzmocnionych. Wykazano obe-cność różnych rozkładów energetycznych pułapek przy obu powierzchniach war-stw tetracenu.
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Antimony substituted lanthanum orthoniobate proton conductor – structure and electronic properties.
PublicationX‐ray and neutron diffraction have been utilized to analyze the crystalline and electronic structure of lanthanum orthoniobate substituted by antimony. Using X‐ray absorption spectroscopy and photoelectron spectroscopy, changes in the electronic structure of the material upon substitution have been analyzed. The structural transition temperature between fergusonite and scheelite phases for 30 mol% antimony substitution was found...
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Parametric method applicable in calculating breakout force and time for lifting axisymmetric objects from seabed.
PublicationThe issue of calculating parameters for lifting objects of axisymmetric shapes from the seabed is studied. The article presents the results of numerical simulation examination of the equation formulated by Foda for the force needed to extricate the object from the seabed depending on soil and water parameters, extrication speed, and object diameter. The simulations were performed within the range of parameters characteristic for...
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Calculation Program Supporting Switched Capacitor DC-DC Charge Pump Design (CP Design Calculator) - PartI: Preface
PublicationPrzedmiot badań i motywy podjęcia pracy. Metoda badawcza. Nota historyczna nt. konwertera Fibonacciego (Fibonacci multiplier) i pompy ładunkowej Makowskiego ("Makowski charge pump"). Przewidywane cele pracy. Podziękowania
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A new duty cycles calculation method in pulse width modulation for direct matrix converters based on the shape function concept
PublicationPaper presents a new approach to duty cycle calculation in pulse width modulation for direct matrix converters. The essence of the proposed method is the use of elementary shape function of finite element. The algorithm for calculating the duty cycles was reduced to simple operations on the coordinates of input and output voltage vectors without trigonometric functions.
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The Effect of Surface Topography Feature Size Density and Distribution on the Results of a Data Processing and Parameters Calculation with a Comparison of Regular Methods
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Novel binary mixtures of alkanolamine based deep eutectic solvents with water - thermodynamic calculation and correlation of crucial physicochemical properties
PublicationThis paper demonstrates the assessment of physicochemical and thermodynamic properties of aqueous solutions of novel deep eutectic solvent (DES) built of tetrabutylammonium chloride and 3-amino-1-propanol or tetrabutylammonium bromide and 3-amino-1-propanol or 2-(methylamino)ethanol or 2-(butylamino)ethanol. Densities, speeds of sound, refractive indices, and viscosities for both pure and aqueous mixtures of DES were investigated...