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Wyniki wyszukiwania dla: AB INITIO CALCULATIONS
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Report of Eurocode 7 application for pile foundation design in Poland
PublikacjaThe EC7 rules of geotechnical design are in use in Poland for several years, even though there is no National annex. With regard to pile foundations, there are valid EC7 recommendations concerning design approaches, load partial coefficients, correlation coefficients and capacity partial coefficients. Polish designers can be quite flexible when it comes to choose a method for static, bearing capacity and settlement calculations....
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Dissociative electron attachment to benzoic acid (C7H6O2)
PublikacjaThe dissociative electron attachment (DEA) to benzoic acid (C6H5COOH) has been studied using an experimental crossed beam setup of a quadrupole mass spectrometer and a trochoidal electron monochromator. Relative partial cross sections for the DEA to produce negative ion fragments show the main channels for dissociation. The comparison of the present results with the ultraviolet photoelectron spectrum of benzoic acid [J. Meeks,...
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DYNAMIC POSITIONING CAPABILITY ASSESSMENT BASED ON OPTIMAL THRUST ALLOCATION
PublikacjaThe article presents an efficient method of optimal thrust allocation over the actuators in a dynamically positioned ship, according to the DNV-ST-0111 standard, Level 1. The optimisation task is approximated to a convex problem with linear constraints and mathematically formulated as quadratic programming. The case study is being used to illustrate the use of the proposed approach in assessing the DP capability of a rescue ship....
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Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity
PublikacjaPhosphinoborenium cations stabilized by N-heterocyclic carbenes (NHCs) were synthesized via the reaction of bromo(phosphino)boranes with NHCs. Their structures were investigated by heteronuclear magnetic resonance spectroscopy, X-ray diffraction, and density functional theory calculations. They possess a planar trigonal boron center directly bonded with the pyramidal phosphanyl group (PR2) and can be treated as cationic phosphinoboranes....
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Kagome Lattice Promotes Chiral Spin Fluctuations
PublikacjaDynamical spin fluctuations in magnets can be endowed with a slight bent toward left- or right-handed chirality by Dzyaloshinskii-Moriya interactions. However, little is known about the crucial role of lattice geometry on these chiral spin fluctuations and on fluctuation-related transport anomalies driven by the quantum-mechanical (Berry) phase of conduction electrons. Via thermoelectric Nernst effect and electric Hall effect experiments,...
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MODELLING OF CONCRETE FRACTURE AT AGGREGATE LEVEL USING DEM BASED ON X-RAY mu CT IMAGES OF INTERNAL STRUCTURE
PublikacjaThe paper describes two-dimensional meso-scale numerical results of fracture in notched concrete beams under quasi-static three-point bending. Concrete was modelled as a random heterogeneous 4-phase material composed of aggregate particles, cement matrix, interfacial transitional zones (ITZs) and air voids. As a numerical approach, the discrete element method (DEM) was used. The concrete micro-structure in calculations was directly...
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Stateczność czołowego obwałowania nasypu przeciwpowodziowego Jeziora Druzno
PublikacjaPrzedstawiono analizę stateczności czołowego obwałowania przeciwpowodziowego Jeziora Druzno w miejscowości Nowe Dolno. Obliczenia przeprowadzono zarówno w naprężeniach całkowitych jak i efektywnych uproszczoną metodą Bishopa oraz metodą Felleniusa-Peterssona. Uzyskano wysokie wartości minimalnego wskaźnika stateczności, zapewniające znaczny zapas stateczności nasypu podczas długotrwałych piętrzeń wody w jeziorze. Mogłoby to wskazywać...
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Fundamenty palowe, obliczenia z zastosowaniem zasad Eurokodu 7 i doświadczeń krajowych
PublikacjaPrzedstawiono 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
PublikacjaArtykuł 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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Joints Of Steel Sandwich Structures
PublikacjaSteel sandwich structures are perceived as alternatives to single-skin welded structures in the shipbuilding industry due its advantages like significant reduction of mass in relation to typical single skin structure. However, beside problems with their strength properties itself, applications in real structures requires of solving the problem of joining, both for connection sandwich to sandwich as well as sandwiches to single-shell...
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A Computational Analysis of the Aerodynamic and Aeromechanical Behavior of a Thermo-Well for Steam Temperature Measurement in a Steam Turbine
PublikacjaThe goal of the paper is twofold: firstly, it presents computational fluid dynamics analysis for finding maximum unsteady flow forces (and their frequencies) acting on a thermo-well for measuring steam temperature in a steam turbine control stage and secondly, it presents computational solid dynamics analysis of possibility of entry into resonance of the thermowell structure. There have been analyzed two cases of flow with changing...
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A new approach of coastal cliff monitoring using Mobile Laser Scanning
PublikacjaThe 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
PublikacjaEstimation 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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Experimental study of the use of electric car powered with stationary solar and electrochemical batteries in Northern Poland
PublikacjaThe 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 effect of cable duct diameter on the ampacity of high-voltage power cables
PublikacjaThe ampacity of power cables depends, among others, on the conditions of heat dissipation from the cable to the environment. Cables are usually laid directly in the ground, but in some sections, they may be placed in ducts, which adversely affects the ampacity of the cable line. The paper presents heat transfer phenomena for cables installed in pipe-type ducts filled with air. The effect of cable duct diameter on this ampacity...
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Computational Fluid Dynamics Simulation of Gas–Liquid Multiphase Flow in T-junction for CO2 Separation
PublikacjaThe article presents the results of a computational fluid dynamics (CFD) analysis of gas-liquid multiphase flow. The simulation was conducted using CFD code and the Euler–Euler approach. The presented study relates to the non–reactive, steady-state, turbulent flow of water and carbon dioxide mixture in a 3D pipe. Separation phenomenon between phases is observed. The solution was obtained using a mixture model. Different values...
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Stability and phase transition investigation of olanzapine polymorphs
PublikacjaWe use electrical embedded-fragment QM method with both DFT/ωB97XD/6-31G* and MP2/6-31G* to investigate the phase transformations of olanzapine. Gibbs free energy calculations predict that form I is always the most stable structure and form II is the least stable one, while form IV is more stable than form III below about 200 K but less stable above this temperature, implying a polymorphic phase transformation. This may account...
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Thin-walled cross section shape influence on steel member resistance.
PublikacjaThis work describes why trending thin-walled technology is achieving popularity in steel construction sector. A purpose of this article is to present the influence of the cold-formed element cross-section shape on an axial compression and a bending moment resistance. The authors have considered four different shapes assuming constant section area and thickness. Calculations were based on three different steel grades taking into...
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Construction of phylogenetic trees with topological constraints
PublikacjaThis paper proposes a method of reconstruction of phylogenetic trees based on heuristic search with topological constraints. Using topological constraints it is possible to reduce the set of solutions as well as to enforce that the result is consistent with a given hypothesis about the evolution process within some group of species. Along with this work a number of algorithms used for phylogenetic analysis were implemented. Those...
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Technical fabrics in costruction of large scale roofs - numerical and experimental aspects
PublikacjaDesigning and construction of textile hanging roofs is the challenging subject for engineers. This type of structure needs geometrically and very often also physically non-linear calculations. Due to different behaviour of two families of threads (warp and weft), which during deformation can change the angle between their directions, they require special constitutive modelling. Also the loading of hanging roofs is very special....
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Stability analysis of a dike constructed of anthropogenic materials
PublikacjaNumerical 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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Hydrogen production from wood waste by mean of dark fermentation
PublikacjaThe 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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Nonlinear phenomena of small-scale sound in a gas with exponential stratification
PublikacjaThe 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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Influence of Protonation State on the Excited State Dynamics of a Photobiologically Active Ru(II) Dyad
PublikacjaThe 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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Real-Time Basic Principles Nuclear Reactor Simulator Based on Client-Server Network Architecture with WebBrowser as User Interface
PublikacjaThe 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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Fractional Calculus Evaluation of Hyaluronic Acid Crosslinking in a Nanoscopic Part of Articular Cartilage Model System
PublikacjaThis 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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Rigid finite elements and multibody modelling used in estimation and reduction of rod vibrations
PublikacjaIn the paper, a mechanical set composed of a robot (manipulator) and of an elastic beam is considered. The beam is fixed to the top of the robot structure. In most of the similar cases, undesired vibrations can be excited in the beam. They are especially significant, when dynamics in the robot braking period is examined. In the paper, estimation and modification of length of the braking period is proposed, in order to reduce the...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublikacjaTime 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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The CFD analysis of influence the start of fuel injection (SOI) on combustion parameters and exhaust gas composition of the marine 4-stroke engine
PublikacjaThe 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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Detailed studies of superconducting properties of Y2Pd1.25Ge2.75
PublikacjaWe report a successful synthesis of a high-purity intermetallic germanide Y2Pd1.25Ge2.75, crystallizing in the disordered variant of the AlB2-type structure. A single-phase sample was obtained via arc-melting by deliberately tuning the composition out of the ideal 2:1:3 ratio. Specific heat, electrical resistivity and magnetization measurements show that the compound is a weakly-coupled (λ e-p = 0.58) type-II superconductor with...
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The Concept of Accuracy Analysis of the Vertical Displacements Gained from the Hydrostatic Levelling Systems’ Measurements
PublikacjaAbstract: 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
PublikacjaWater 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
PublikacjaAxle 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
PublikacjaThis 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
PublikacjaJakość 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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Przyczółki mostowe wspomagane konstrukcjami z gruntu zbrojonego
PublikacjaW 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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Wpływ właściwości czynników chłodniczych na straty egzergii w pompie ciepła (Influence of Refrigerants Properties for Exergy Losses in Heat Pump)
PublikacjaArtykuł 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
PublikacjaW 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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Synteza i ocena biologiczna oligopeptydowych analogów akrydyny/akrydonu jako potencjalnych leków przeciwnowotworowych
PublikacjaNiniejsza praca doktorska obejmuje syntezę oraz testy aktywności biologicznej nowych analogów akrydyny/akrydonu z pochodnymi tuftsyny/retro-tuftsyny jako potencjalnych leków przeciwnowotworowych. Akrydyny należą do grupy policyklicznych związków heteroaromatycznych. Ich struktura chemiczna wywodzi się z trójpierścieniowego związku aromatycznego, będącego analogiem antracenu zawierającego atom azotu w pierścieniu B. Związki te powszechnie...
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Host and pathogen factors in Klebsiella pneumoniae upper urinary tract infections in renal transplant patients
PublikacjaPurpose . To analyse the role of virulence factors (VFs) and host in Klebsiella pneumoniae upper urinary tract infections (UTIs) in renal transplant (RTx) recipients. Methodology. Clinical and demographic data were registered prospectively. Phylogenetic background of K. pneumoniae isolates was analysed by PCR melting profiles (MP) and the following VFs genes: fimH-1, uge, kpn, ycfM, mrkD, rmpA, magA, hlyA, cnf-1, irp-1, irp-2,...
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Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE
PublikacjaThis 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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Stripe order and magnetic anisotropy in the S=1 antiferromagnet BaMoP2O8
PublikacjaMagnetic 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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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublikacjaIn 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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Numerical simulations of novel GFRP sandwich footbridge
PublikacjaIn 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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Performance of isotropic constitutive laws in simulating failure mechanisms in scaled RC beams
PublikacjaResults of numerical calculations of reinforced concrete (RC) beams are presented. Based on experimental results on longitudinally reinforced specimens of different sizes and shapes are investigated. Four different continuum constitutive laws with isotropic softening are used: one defined within continuum damage mechanics, an elasto-plastic with the Rankine criterion in tension and the Drucker-Prager criterion in compression, a...
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Cargo ships heat demand - operational experiment
PublikacjaThe paper presents the results of an experiment conducted on two cargo ships – a 5300 TEU container with a steam heating system and a 7500 dwt general cargo ship with a thermal oil system. On both ships research has been carried out using specially designed measuring equipment. After gathering data about flow velocity and temperatures (steam/ cooling water/ thermal oil/ seawater/ outside air), calculations have been done, resulting...
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A general approach to study molecular fragmentation and energy redistribution after an ionizing event
PublikacjaWe propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectron–photoion coincidence experiments and...
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LNG TANK IN ŚWINOUJŚCIE: NONLINEAR ANALYSIS OF THE TANK DOME ELEMENTS BEHAVIOUR
PublikacjaIn this paper, the dome of a tank in the Świnoujście LNG terminal is analysed. Some of the rafter ribs at the connection with hangers were not mounted during construction of the tank dome. Therefore, it has become necessary to estimate its response, which has been done with the aid of some computational models of the dome, that have been created in the finite element method environment. Different local models are studied, aiming...
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Accuracy Analysis of Determination the Vertical Displacements in Unstable Reference System
PublikacjaMeasurements 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
PublikacjaProteins’ 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...