Filtry
wszystkich: 2003
wybranych: 1575
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: TDDFT CALCULATIONS
-
Flow Analysis of a Kaplan Turbine
PublikacjaThis monograph is a guide to a method of experimental and numerical flow investigations for Kaplan - type turbines. The numerical calculations were compared with the test results of the model Kaplan turbine. The tests were carried out on the model test rig in the Gdańsk University of Technology. The turbine has been thoroughly experimentally investigated, resulting in the identification of optimum setting combination of the stator...
-
Influence of excitons interaction with charge carriers on photovoltaic parameters in organic solar cells
PublikacjaWe report on theoretical analysis of excitons annihilation on charge carriers in organic solar cells. Numerical calculations based on transient one-dimensional drift-diffusion model have been carried out. An impact of three quantities (an annihilation rate constant, an exciton mobility and a recombination reduction factor) on current density and concentrations of charge carriers and excitons is investigated. Finally, we discuss...
-
Modeling SPMD Application Execution Time
PublikacjaParallel applications in a Single Process Multiple Data paradigm assume splitting huge amounts of data to multiple processors working in parallel at small data packets. As the individual data packets are not independent, the processors must interact with each other to exchange results of the calculations with their adjacent partners and take these results into account in their own computations. An example of SPMD is geometric parallelism...
-
Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublikacjaElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
-
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....
-
The Doppler effect in a bistatic system for determining the position of moving targets
PublikacjaThe article presents the theoretical analysis and the results of numerical calculations of the Doppler effect it occurs in a system designed to determine the position and speed of a moving target. The transmitter is the source of the signal and it emits a sinusoidal, acoustic and continuous wave. Signal reflected off a moving target is received by four hydrophones. Based on the signals, four Doppler shifts are determined and inserted...
-
Finite element modeling of plastic hinges based on ductility demand-capacity method using nonlinear material for dynamic analysis
PublikacjaThe article discusses modeling plastic hinges in reinforced concrete interme-diate supports using finite elements methods. The ductility demand-capacitymethod was used to determine the geometrical parameters of cross-section plas-ticization zones, their ability to move and rotate, as well as their ductility. Dueto the varied geometry and stiffness of the supports and their nonlinear behav-ior under dynamic load, this method was...
-
PARAMETRIC ANALYSIS OF THE EFFICIENCY OF THE COMBINED GAS-STEAM TURBINE UNIT OF A HYBRID CYCLE FOR THE FPSO VESSEL
PublikacjaA thermal diagram of the combined gas‒steam turbine unit of a hybrid cycle, which is an energy complex consisting of a base gas turbine engine with a steam turbine heat recovery circuit and a steam-injected gas turbine operating with overexpansion, is proposed. A mathematical model of a power plant has been developed, taking into consideration the features of thermodynamic processes of simple, binary, and steam-injected...
-
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,...
-
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,...
-
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...
-
Błędy dotyczące kotwienia w budownictwie
PublikacjaW artykule zwrócono uwagę na typowe błędy w projektowaniu oraz wykonawstwie systemów kotwienia w budownictwie. Omówiono normowe zalecenia dotyczące obliczeń nietypowych elementów. Przedstawiono kilka przykładów błędnego wykonania kotwienia z rzeczywistej realizacji. Skomentowano rodzaj błędów i ich przyczynę.
-
A New Approach of Solidification Analysis in Modular Latent Thermal Energy Storage Unit Based on Image Processing
PublikacjaThe solidification process of RT18HC in a cylindrical shell and tube storage unit has been studied using a new methodology based on image processing. The main idea of the algorithm is to label the region of solidification and use statistical functions to calculate the dimensions of the solidification front over time. Said analysis includes two methods. The first method is to measure the solid fraction changes during solidification....
-
Nonlinear secondary arc model use for evaluation of single pole auto-reclosing effectiveness
PublikacjaPurpose – The purpose of this paper is to discuss two evaluation methods of single pole autoreclosing process effectiveness in HV transmission lines. Secondary arc current and recovery voltage results obtained by load flow calculation are compared to the results obtained by the time domain simulations. Moreover, a nonlinear secondary arc implementation is presented. Design/methodology/approach – A computer simulation studies were...
-
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...
-
Wyznaczanie odpływu ze zlewni niekontrolowanych Kanału Raduni podczas powodzi w 2001 r.
PublikacjaMetoda SCS (ang. Soil Conservation Service) pozwalająca wyznaczyć wysokość opadu efektywnego. Metoda geomorfologicznego hydrogramu jednostkowego do wyznaczenia hydrogramu odpływu ze zlewni niekontrolowanej. Aplikacja metody do sytuacji w zlewni Kanału Raduni na przykładzie powodzi z 2001 roku. Wyniki obliczeń dla potoków zasilających Kanał Raduni, odniesienie uzyskanych przepływów do dopływu z 2001 roku.
-
Wstępna analiza zagrożenia podtopieniami w zlewni Potoku Strzyża w Gdańsku.
PublikacjaCharakterystyka sieci hydrograficznej Potoku Strzyża. Analiza zagrożenia podtopie - niami z wykorzystaniem hydraulicznego modelu potoku. Przedstawienie oraz analiza wyników obliczeń. Wstępne określenie odcinków newralgicznych z punktu widze - nia zagrożenia powodziowego. Wstępna analiza możliwych przyczyn występowania podtopień na terenie zlewni Potoku Strzyża.
-
Estimation of interior-permanent-magnet-synchronous-motor rotor position by analysis of phase-current derivatives
PublikacjaThis paper describes an algorithm for estimation of IPMSM rotor angular position. The algorithm uses derivatives of motor phase currents resulting from PWM modulation to obtain the rotor position. The presented method is designed for medium- and high-speed range, since it is based on determination of the EMF vector. Calculation of the motor position is performed in every PWM cycle. The standard SV-PWM method is used to determine...
-
Dynamic analysis of lightweight structure of the Viaduct Millau in France subjected to the wind fluctuations described by Karman’s and Davenport’s spectrum
PublikacjaThe article presents numerical simulations for wind impact modelling on the Millau Viaduct structure in France performed with two independent spectrum generation methods. The viaduct's construction in affected by strong forces, as it is situated in the Tarn river's valley. Thus, the loading coming from the wind cannot be modelled, the way it is in case of simple structures as static loading, but as a loading in a form of a spectrum...
-
Influence of image transformations and quality degradations on SURF detector efficiency
PublikacjaA method for task-oriented examination of SURF keypoint detector accuracy is presented in the paper. It consists of generating test images, based on a given exemplar, processed by affine transformations: random rotation and scaling, and varying degree of degradations: darkening, blurring, noising, and compression. Details of applied degradation procedure are presented, followed by essentials of SURF-based images matching. A distance...
-
ANALYSIS OF THE POSSIBILITIES OF HIGH SPEED SHAFT BEARING SYSTEM DURABILITY INCREASE
PublikacjaDuring the operation of wind turbines with a gearbox of traditional configuration, a high failure rate of high-speed shaft bearings is observed. Such a high failures frequency is not reflected in standard bearing durability calculation methods, which can be attributed to atypical failure mechanism. To avoid observed problems in the 1.5 MW wind turbine, the modification of the existing bearing system is proposed. Multiple options,...
-
A Three-Step Approach to Estimation of Reduction Potentials of Natural Mixtures of Antioxidants Based on DPPH Test; Illustration for Catechins and Cocoa
PublikacjaThe aim of this study is to propose a methodology to assess electrochemical properties of complex mixtures of antioxidants, such as plant extracts, based on the results of simple and popular DPPH test. The first, most difficult step, involves determinations of standard reduction potentials (E0) for the series of purified compounds (here catechins). The next step is the calculation of stoichiometric values (n10) based on the results...
-
Autonomous Vehicle Navigation in Dense Urban Area in Global Positioning Context
PublikacjaAutonoumous vehicle services are likely to be adopted in dense urban area. Some research prove that autonomous transport might be capable of improving the transport needs of few times and as a consequence sustainability, congestion and safety may be improved. The world, hopefully is close to a transport revolution age. These studies are perhaps exaggerated, over-optimistic and far fro fully operational. The paper takes into account...
-
Design of horizontal axis wind and water turbines
PublikacjaThe basic hydrodynamic principles of horizontal axis turbines are presented. Computational methods based on vortex theory for design of such turbines and for calculation of their hydro or aerodynamic characteristics are described in detail. These methods are applicable both to wind and water turbines. The influence of detailed turbine geometry on its characteristics is presented. Several practical computational examples of different...
-
Consideration of the safety of bungee jumping in relation to mechanical properties of the instalation based on a jump accident in Gdynia
PublikacjaThis paper considers a bungee jumping accident that took place in July 2019 in Gdynia, Poland. The authors conducted an investigation to determine the cause of the bungee rope failure. It was based on mechanical tests concerning the strength of the rope as well as the calculation of the force induced in the rope during the jump. Based on the theoretical and experimental results, the rope safety factor was estimated. It appeared...
-
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....
-
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...
-
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...
-
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...
-
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...
-
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...
-
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...
-
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...
-
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...
-
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....
-
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,...
-
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...
-
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...
-
Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublikacjaThe article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...
-
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...
-
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...
-
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...
-
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...
-
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...
-
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...
-
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...
-
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...
-
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...
-
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...
-
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...