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Wyniki wyszukiwania dla: phonon calculations
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Buckling resistance of a metal column in a corrugated sheet silo - experiments and non-linear stability calculations
PublikacjaThe results of experimental and numerical tests of a single corrugated sheet silo column’s buckling resistance are presented in this study. The experiments were performed in a real silo with and without bulk solid (wheat). A very positive impact of the bulk solid on the column buckling resistance occurred. The experimental results were first compared to the buckling resistance calculated by Eurocode 3 formulae. The comparison revealed that...
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IMAGING OF PROTON BRAGG PEAKS IN LiF
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Proton affinities of simple organic compounds
PublikacjaThe Restricted Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets has been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for small neutral and protonated alkanes, alcohols, acetic acid, methyl and ethyl acetate, acetone, and acetaldehyde. Calculated values of proton affinities are compared with experimental data.
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On using digital photos in a structure rehabilitation.
PublikacjaPraca dotyczy metody optycznego pomiaru ugięć w konstrukcjach inżynierskich na podstawie fotografii cyfrowych.
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Photos and rendered images of LEGO bricks
PublikacjaThe paper describes a collection of datasets containing both LEGO brick renders and real photos. The datasets contain around 155,000 photos and nearly 1,500,000 renders. The renders aim to simulate real-life photos of LEGO bricks allowing faster creation of extensive datasets. The datasets are publicly available via the Gdansk University of Technology “Most Wiedzy” institutional repository. The source files of all tools used during...
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High temperature proton conduction in LaSbO4
PublikacjaLanthanum orthoantimonate was synthesized using a solid‐state synthesis method. To enhance the possible protonic conductivity, samples with the addition of 1 mol% Ca in La‐site, were also prepared. The structure was studied by the means of X‐ray diffraction, which showed that both specimens were single phase. The materials crystallized in the space group P2 1 /n. Dilatometry revealed that material expands non‐linearly with the...
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Two-photon double ionization of atoms in attosecond x-ray radiation fields
PublikacjaWe consider two-photon double ionization of helium with 100, 200, and 400 eV excess energy for the two ejected electrons, corresponding to photon energies of 89.5, 139.5, and 239.5 eV, respectively. We focus on the case of ultrashort pulses (two oscillations of the field) and develop an approach to calculate the two-photon transition matrix elements within the lowest order of the time-dependent perturbation theory. One of the...
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KOLMOGOROV EQUATION SOLUTION: MULTIPLE SCATTERING EXPANSION AND PHOTON STATISTICS EVOLUTION MODELING
PublikacjaWe consider a formulation of the Cauchy problem for the Kolmogorov equation which corresponds to a localized source of particles to be scattered by a medium with a given scattering amplitude density. The multiple scattering amplitudes are introduced and the corresponding series solution of the equation is constructed. We investigate the integral representation for the first series terms, its estimations and values of the photon...
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Ab initio studies of phonons in MgO by the direct method including LO mode
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A calculation proposal of labour time input when concreting in difficult atmospheric conditions
PublikacjaThe paper presents a selected proposal of establishing labour input in concreting jobs carried out in difficult atmospheric conditions.
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The calculation long-term physical field created by water flow around the ship
PublikacjaThe paper presents a description of the problems with fluid flow around a ship. Using the described solution of the problem were performed numerical calculations using the boundary element method. Were also presented preliminary results of the calculation of pressure fields at the bottom of the ship, taking into account the impact of the bottom.
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THE PROBLEM OF THE CALCULATION OF THE FREQUENCY OF DIAGNOSTIC EXAMINATIONS BASED ON DEVICE’S PROPER OPERATION TIME
PublikacjaThe paper presents the proposal to apply the normal distribution to solve the problem of the frequency of diagnostic tests. Particular emphasis is placed on simplicity of the method. This method may be useful for the average user technical system. The method reduces the number of assumptions to a minimum. The results do not raise of serious doubts but they require verification of course.
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Efficient calculation of the resonant frequencies of a SIW resonator with FDFD-based macromodel algorithm
PublikacjaW pracy przedstawiono efektywną metodę do analizy struktur ze integrowanym podłożem (SIW). W celu szybkiego obliczenia częstotliwości rezonansowych używany jest algorytm FDFD z zaimplementowanymi makromodelami.
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B-podand complexes with sodium ions: the reaction heats and PM5 semiempirical calculation
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Synthesis and Spectroscopic Characterization of Selected Phenothiazines and Phenazines Rationalized Based on DFT Calculation
PublikacjaTwo unique structures were isolated from the phosphorylation reaction of 10H-phenothiazine.The 5,5-dimethyl-2-(10H-phenothiazin-10-yl)-1,3,2-dioxaphosphinane 2-oxide (2a) illustrates theproduct of N-phosphorylation of phenothiazine. Moreover, a potential product of 2a instability,a thiophosphoric acid 2b, was successfully isolated and structurally characterized. Molecule 2a,similarly to sulfoxide derivative...
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The results of analyses of deep excavation walls using two different methods of calculation
PublikacjaPrzedstawiono wyniki obliczeń obudowy głębokiego wykopu dwukrotnie rozpieranej i dwukrotnie kotwionej w gruncie jednorodnym niespoistym. Obliczenia numeryczne wykonano metodą podpór sprężysto-plastycznych i metodą elementów skończonych. Zwrócono uwagę na istotne różnice w wynikach obliczeń. Zaproponowano wyjaśnienie przyczyn zaobserwowanych różnic w wynikach obliczeń otrzymanych z obu metod.
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The model of end-to-end call setup time calculation for Session Initiation Protocol
PublikacjaEnd-to-end call setup delay is one of the most important grade of service (GoS) parameters for VoIP networks with Session Initiation Protocol (SIP). A typical subscriber wants to have a connection established as soon as possible. From the operator's perspective call setup time is also crucial because he needs to know how probability of successful packet transmission on SIP links is related to a call setup delay. Then he can make...
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Positron-electron correlation-polarization potentials for the calculation of positron collisions with atoms and molecules
PublikacjaWe present correlation-polarization potentials for the calculation of scattering cross sections of positrons with atoms and molecules. The potentials are constructed from a short-range correlation term and a long-range polarization term. For the short-range correlation term we present four different potentials that are derived from multi-component density functionals. For the long-range polarization term we employ a multi-term...
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Calculation of lead settlement curve based on CPT test results and Auger Piles.
PublikacjaPrzedstawiono wykorzystanie wyników statycznego sondowania CPT do określenia pełnej krzywej osiadania, aż do obciążenia granicznego. Wykorzystano wyniki badań statycznych dla 23 wierconych pali wielkośrednicowych. Przedstawiono zależności korelacyjne bazujące na analizie statystycznej.
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The measurement and calculation of gas temperature inside a switchgear during fault arc period.
PublikacjaW artykule przedstawiono metodę obliczania temperatury gazu wewnątrz rozdzielnicy szczelnej z izolacją powietrzną podczas zwarć łukowych w oparciu o równanie przewodnictwa cieplnego. Przedstawiono wyniki badań eksperymentalnych temperatury gazów podczas zwarć z łukiem wędrującym. Opisano model do badań, układ probierczy i warunki badań. Wyniki obliczeń porównano z wynikami badań eksperymentalnych.
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Numerical calculation of three-phase transformer's residual flux in ATP and PSpice programs.
PublikacjaW artykule przedstawiono analizę przebiegów prądu i strumienia magnetycznego podczas wyłączania transformatora energetycznego, wykonaną w celu określenia strumieni szczątkowych. Wykorzystano do tego celu modele obwodowe zbudowane w oparciu o programy symulacyjne ATP (Alternative Transients Program) i PSpice. Wyniki obliczeń okazały się bardzo zbliżone dla obu modeli. Przy ich wykorzystaniu obliczono strumienie szczątkowe w kolumnach...
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Determination of equivalent circuit parameters of an induction motor using field calculation software
PublikacjaSimulation of the drive system comprising a power electronic converter and an induction motor requires that the equivalent circuit parameters of the motor are known. These parameters can be either measured or calculated. A method of calculation of self and mutual inductances that are parameters of a polyphase model of the motor is presented in the paper. All self-inductances and mutual inductances have been calculated using the...
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublikacjaThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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Verification of the new viscoelastic method of thermal stress calculation in asphalt layers of pavements
PublikacjaThe new viscoelastic method of thermal stress calculations in asphalt layers has been developed and published recently by the author. This paper presents verification of this method. The verification is based on the comparison of the results of calculations with results of testing of thermal stresses in Thermal Stress Restrained Specimen Test. The calculations of thermal stresses according to the new method were based on rheological...
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Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations
PublikacjaThe reaction of silicon disulfide with alkylphenols leads to tetraphenoxysilane, cyclodisilthiane and silanethiol. The products of the reaction of silicon disulfide with phenols are characterized by FT-IR, NMR, X-ray diffraction and DFT calculations. The intramolecular interactions in the compounds are mainly XH---π (X = C, S) whereas the intermolecular interactions are either very weak CH---π/CH---O contacts found in aryloxysilane...
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Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
PublikacjaW ostatnich latach zaproponowano szereg modeli typu implicit solvent, ktore bazują na bezpośrednim rozwiązaniu niejednorodnego równania Poissona w przestrzeni rzeczywistej. Modele te charakteryzują się elegancją, ponieważ wnęka, w której umieszczona jest molekuła substancji rozpuszczanej zdefiniowana jest bezpośrednio w funkcji gęstości elektronowej, a rozkład ładunku jest w sposób samouzgodniony polaryzowany dzięki reakcji dielektryka,...
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Conformational studies of [Nphe5]SFTI-1 by means of 2D NMR spectroscopy in conjunction with molecular dynamics calculations
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A Comparison of Model Calculations of Ice Thickness with the Observations on Small Water Bodies in Katowice Upland (Southern Poland)
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Rotationally inelastic collisions of electrons with H2 and N2 molecules: converged space-frame calculations at low energies.
PublikacjaW pracy zostały obliczone przekroje czynne na rotacyjne wzbudzenia cząsteczek H2 i N2 w wyniku zderzeń z niskoenergetycznymi elektronami. Układ silnie sprzężonych równań został rozwiązany w laboratoryjnym układzie odniesienia przy pomocy algorytmu MVPA.
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Influence of nonlinearities on the efficiency and accuracy of FEM calculations on the example of a steel build-up thin-walled column
PublikacjaDue to the increase of computing capabilities of standard processing units, it is possible to perform complex analyses, considering a number of nonlinearities, such as geometric, material and boundary (contact) even on personal computers. In the paper, the authors have analysed the efficiency and accuracy of standard PC’s FEM calculations performed in Abaqus CAE 2017 software on the example of a critical load assessment of a thin-walled...
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Investigations of size effect in concrete at aggregate level - experiments and calculations results using discrete element method
PublikacjaSize effect is a fundamental phenomenon in concrete. It is characterised by decreasing strength and increasing brittleness of concrete with increasing size. The thesis includes experimental and theoretical elements. The main goal of the thesis were investigations of a size effect at the aggregate level by taking fracture into account with the discrete element method (DEM) for various failure modes. Comprehensive experiments on...
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Non-Destructive Testing of the Longest Span Soil-Steel Bridge in Europe—Field Measurements and FEM Calculations
PublikacjaThe article describes interdisciplinary and comprehensive non-destructive diagnostic tests of final bridge inspection and acceptance proposed for a soil-steel bridge made of corrugated sheets, being the European span length record holder (25.74 m). As an effect of an original concept a detailed and precise information about the structure short-term response was collected. Periodic diagnostics of bridge deformations was done one...
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Calculations of fracture process zones on meso-scale in notched concrete beams subjected to three-point bending.
PublikacjaW artykule przedstawiono wyniki numeryczne MES modelowanie belek betonowych z nacięciem na poziomie skali mezo. Beton został opisany na poziomie skali mezo jako stochastyczny materiał 3-składnikowy złożony z kruszywa, zaczynu cementowego oraz stref kontaktu. Obliczenia wykonano przy wykorzystaniu modelu degradacji sztywności z nielokalnym osłabieniem. Zbadano wpływ stochastycznego rozkładu kruszywa, średnicy, kształtu oraz zagęszczenia...
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Phonon confinement and interface lattice dynamics of ultrathin high-k rare earth sesquioxide films: the case of Eu2O3 on YSZ(001)
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Photon Physics and Plasma Research, Photonics Applications and Web Engineering, Wilga, May 2012
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Two-photon induced fluorescence of Cy5-DNA in buffer solution and on silver island film
PublikacjaOpisano fluorescencję barwnika CY5 połączonego z DNA w roztworze buforowym na wysepkach srebrowych.
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Indium doping in SrCeO3 proton-conducting perovskites
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Proton transfer reactions for ionized water clusters
PublikacjaCalculations of formation energies of the ionized water clusters and energies of reactions between small (including less than eight water molecules) neutral and positively ionized water clusters are presented. Moreover, we discuss some reaction paths between neutral and positively charged dimers, trimers and tetramers and proton transfer reactions (PTR) between cyclic clusters and H3O+ ions which can appear in beam experiments...
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Isolation and Characterization of Phenol-Degrading Psychrotolerant Yeasts
PublikacjaIn this study, the potential of selected psychrotolerant yeast strains for phenol biodegradation was studied. From 39 strains isolated from soil and water samples from Rucianka peat bog, three psychrotolerant yeast strains: A011, B021 and L012 showed the ability to phenol degradation. The result shows that all three yeast strains could degrade phenol at 500 mg l-1 and 750 mg l-1 concentration, whereas strains A011 and L012 could...
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Analytical method for calculation of heat source temperature drop for the Organic Rankine Cycle application
PublikacjaIn the paper presented are considerations on the cooperation of the limited capacity heat source with the Organic Rankine Cycle unit. Usually the heat source providing thermal energy to the Organic Rankine Cycle (ORC) may have twofold characteristics. It can be in the form of a single phase fluid, i.e. as hot exhaust gas or hot liquid, or in some cases it may be available as a phase changing fluid, as for example, technological...
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Resonance Frequency Calculation of a Multilayer and Multipatch Spherical Microstrip Structure Using a Hybrid Technique
PublikacjaThis communication offers a rigorous analysis of the resonance frequency problem of a spherical microstrip structure mounted on a multilayer, dielectric-coated metallic sphere, with an electrically small radius. The structure consists of single or multiple metallic patches with arbitrary shapes. A full-wave analysis is employed with the use of proposed hybrid approach, combining the finite-difference technique with a spectral domain...
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A Conception of Pairwise Comparisons Model for Selection of Appropriate Body Surface Area Calculation Formula
PublikacjaBody surface area (BSA) may be computed using a variety of formulas, but the computed BSA differs from real BSA values for particular subjects. This is presented in the paper by computing BSA values for selected subject and comparing them to the real BSA value obtained with the use of a 3D body scanner. The results show inequalities in the relevant BSA computing formulas. Hence, there is a need to determine a method that will allow...
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Hybrid Finite Element Method Development for Offshore Structures’ Calculation with the Implementation of Industry Standards
PublikacjaIn the design process of offshore steel structures, it is typical to employ commercial calculation codes in which simulationand evaluation of results are performed on the basis of the available standards (e.g. API, DNV, Lloyds). The modelingand solution rely on finite element methods and cover the simulation of the structure’s properties along with the influenceof the marine environment – sea currents, wave...
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Performance comparison of new modified gradient algorithm and Foy algorithm for iterative position calculation
PublikacjaIn the paper a new position calculation algorithm is presented. It is proposed for indoor environments and is called modified gradient algorithm. This algorithm is compared with well-known Foy algorithm. The comparative analysis is based on real distance measurements conducted in indoor environment.
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Improved calculation of damage due creep by more accurate time to rupture data representation
PublikacjaReguła Robinsona (Linear Life Fraction Damage Rule) jest stosunkowo łatwa w użyciu dla różnorodnych warunków obciążenia. Z tego powodu jest ona powszechnie akceptowana i używana. Potencjalne możliwości poprawy dokładności obliczeń tą metodą daje zastosowanie specjalnych funkcji do aproksymacji wyników badań wytrzymałości czasowej. W pracy zaproponowano zastosowanie funkcji typu Spline oraz bardzo elastycznej funkcji Spline3D do...
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Theoretical calculation of pKas of phosphoric (V) acidin the polarisable continuum and cluster-continuum models
PublikacjaW pracy oceniono dokładność modelu polaryzowalnego kontinuum (PCM) i mieszanego modelu klaster-kontinuum do przewidywania wartości trzech kolejnych stałych dysocjacji kwasu fosforowego (V). Obliczenia PCM na poziomie MP2/6-31+G(d,p) odtwarzają wartość pierwszego pKa z rozsądną niepewnością, jednak wartości kolejnych pKa obarczone są bardzo dużym błędem, nawet po podniesieniu poziomu teorii do metody zespolonej G3B3. Dopiero obliczenia...
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Proposal of frequency‐based decomposition approach for minimization of errors in surface texture parameter calculation
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Verification of Selected Calculation Methods Regarding Shear Strength in Reinforced and Prestressed Concrete Beams
PublikacjaThe purpose of this article was an attempt to compare selected calculation methods regarding shear strength in reinforced and prestressed concrete beams. Several calculation methods were tested. This included codes: PN-EN 1992-1-1:2008 [1], ACI 318- 14 [2] and fib Model Code for Concrete Structures 2010 [3]. The analysis also consists of methods published in technical literature. Calculations of shear strengths were made based...
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How much a geometrical model of a honeycomb seal can be simpli ed in the CFD calculation
PublikacjaThis paper presents the inuence of geometry simplication on the results obtained in the computational fluid dynamics simulation. The subject of simulation was part of the honeycomb seal located at the inlet to high pressure part of a steam turbine. There were three different geometrical models assumed in the calculations. First one was two-dimensional case and two others were three dimensional, one with the radius of curvature...
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Improvement of the thrust bearing calculation considering the convectional heating within the space between the pads
PublikacjaA modern thrust bearing calculation tool should consider not only the oil film between pad and rotating collar but also the space between the pads. The oil flow in the space has a significant influence on the oil film inlet temperature, the convectional cooling of pad and collar and should be included in the bearing calculation methods. The authors use a tool developed at Clausthal University of Technology in cooperation with the...