wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: tddft%20calculations
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Visible light photocatalytic activity of ionic liquid-TiO2 spheres: effect of the ionic liquid's anion structure
PublikacjaThe effect of the ionic liquid’s (IL) anion type ([BIMIM][X], where X= [Br], [PF6] or [OctSO4]) and content on the morphology, surface properties and photoactivity of TiO2 obtained by solvothermal method has been systematically investigated. Our results revealed that the presence of [Br], [OctSO4] anions favors formation of anatase phase, while presence of [PF6] anion causes formation of mixture of anatase and Ti(OH)PO4 phases....
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Impact of selected drugs and their binary mixtures on the germination of Sorghum bicolor (sorgo) seeds
PublikacjaThe aim of this study was to assess the toxicological potential of binary drug mixtures and individual drugs under different pH conditions with different inorganic ion additions on the germination of Sorghum bicolor (sorgo) seeds. To assess whether the given drug mixtures were more phytotoxic than the individual compounds, concentration addition (CA) and independent action (IA) approaches were applied to estimate the predicted...
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Configurations of H 3 + (H2)n clusters and their energies
PublikacjaThe H-3(+) ion plays an important role in low temperature astrophysical and laboratory plasmas. It is considered as the initiator of many ion-molecule chemistries. Also its clusters with H-2 are quite interesting. We study configurations of the H-3(+)(H-2)(n) clusters for n = 1 up to n = 12 as a simple test system. Total energies for these structures, with zero point vibration corrections have been calculated. Stabilization energies...
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Photoelectron spectroscopy of a series of acetate and propionate esters
PublikacjaThe electronic state and photoionization spectroscopy of a series of acetate esters: methyl acetate, isopropyl acetate, butyl acetate and pentyl acetate as well as two propionates: methyl propionate and ethyl propionate, have been determined using vacuum-ultraviolet photoelectron spectroscopy. These experimental investigations are complemented by ab initio calculations. The measured first adiabatic and vertical ionization energies...
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Developing Methodology for Model Tests of Floating Platforms in Low -Depth Towing Tank
PublikacjaThe paper presents two different methods of physical modeling of semi-submersible platform mooring system for research in low depth towing tank. The tested model was made in the scale of 1:100 resembling the "Thunder Horse" platform moored in the Gulf of Mexico at a depth of 1,920 m. Its mooring system consisted of 16 semi-taut mooring lines (chain-wire-chain) spaced starshape and attached at the bottom to suction piles. The tests...
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A simplified energy dissipation based model of heat transfer for subcooled flow boiling
PublikacjaIn the paper a model is presented based on energetic considerations for subcooled flow boiling heat transfer. The model is the extension of authors own model developed earlier for saturated flow boiling and condensation. In the former version of the model we used the heat transfer coefficient for the liquid single-phase as a reference level, due to the lack of the appropriate model for heat transfer coefficient for the subcooled...
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Crystal structure and physical properties of AePd1-xP1+x (Ae = Ca, Sr)
PublikacjaWe report the discovery of two new compounds AePd1-xP1+x (Ae = Ca, Sr) crystallized in different hexagonal structures. Single crystals of AePd1-xP1+x (Ae = Ca, Sr) are obtained using the Bi-flux method. Crystallographic analysis by both powder and single crystal X-ray diffraction shows that CaPd1-xP1+x crystallizes in a non-centrosymmetric hexagonal structure with the space group P-6m2 (No.187) and lattice parameters a = b = 4.0391(9)...
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Modelling of heat transfer in supercritical pressure recuperators
PublikacjaIn the paper presented is analysis of convective flow heat transfer at supercritical pressure in channels of heat exchanger working in the thermodynamic cycle. The modelling is based on the division of the flow into three regions, namely the heavy fluid, a two phase flow consisting of the heavy and light fluids and finally the light fluid flow. Modelling is concentrated on the region of simultaneous flow of two fluids divided into...
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Analysis of Validation and Simplification of Timber-Frame Structure Design Stage with PU-Foam Insulation
PublikacjaThe transition from experimental studies to the realm of numerical simulations is often necessary for further studies, but very difficult at the same time. This is especially the case for extended seismic analysis and earthquake-resistant design. This paper describes an approach to moving from the experimental testing of an elementary part of a wood-frame building structure to a numerical model, with the use of a commercial engineering...
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The use of thermal imaging camera to estimate velocity profiles based on temperature distribution in a free convection boundary layer
PublikacjaThis work describes an attempt to assess whether the temperature field from a thermal imaging camera can be converted into a velocity field with an accuracy sufficient for qualitative conducting or describing the phenomenon, i.e. when the Navier-Stokes, Fourier-Kirchhoff and continuity equations are mutually coupled. The consequence of this link between temperature fields and velocity is the possibility to formulate the hypothesis...
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The methodology of design of axial clearances compensation unit in hydraulic satellite displacement machine and their experimental verification
PublikacjaA new methodology of calculating the dimensions of the axial clearance compensation unit in the hydraulic satellite displacement machine is described in this paper. The methods of shaping the compensation unit were also proposed and described. These methods were used to calculate the geometrical dimensions of the compensation field in an innovative prototype of a satellite hydraulic motor. This motor is characterized by the fact...
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Proposal of a mobile medical waste incinerator with automatic waste feeder and heat recovery system
PublikacjaThe paper presents and discusses the issue of medical waste (including hazardous ones) and their proper management. Inappropriate handling of infectious medical waste directly endangers the human being health and the environment. Infectious waste must therefore be properly disposed of – one of the most commonly used methods is the thermal treatment in the incinerators tailored for this purpose. During designing an incinerator unit,...
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Gas Turbine Cycle with External Combustion Chamber for Prosumer and Distributed Energy Systems
PublikacjaThe use of various biofuels, usually of relatively small Lower Heating Value (LHV), affects the gas turbine efficiency. The present paper shows that applying the proposed air by-pass system of the combustor at the turbine exit causes tan increase of efficiency of the turbine cycle increased by a few points. This solution appears very promising also in combined gas/steam turbine power plants. The comparison of a turbine set operating...
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Proposal of a Mobile Medical Waste Incinerator with Application of Automatic Waste Feeder and Heat Recovery System as a Novelty in Poland
PublikacjaThe paper presents and discusses the issues of medical waste (including hazardous ones) and the problems regarding their proper management in Poland. Inappropriate handling of infectious medical waste directly endangers human health and the environment. Infectious waste must be properly disposed of—in practice, the only method of their disposal available in Poland is a thermal treatment in the incinerators tailored for this purpose....
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The Motion Analysis of Attacus Atlas Rigid Wing
PublikacjaThe remarkable aerodynamic efficiency of flapping insect wings has fascinated researchers for many years. Butterfly wings are distinguished by a much larger lifting surface, and thus, a different style of flapping flight. The considerations described in the article are an introduction to a fully flexible analysis of the wing in motion. The study of the rigid wing gives the basic knowledge necessary in the further process. The yaw,...
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Phosphinophosphoranes: Mixed-Valent Phosphorus Compounds with Ambiphilic Properties
PublikacjaHerein, we present a simple synthesis of mixed-valent phosphinophosphoranes bearing three- and five-coordinate phosphorus centers. Compounds with phosphorus–phosphorus bonds were synthesized via a reaction of lithium phosphides RR′PLi with cat2PCl (cat = catecholate), whereas derivatives with methylene-linked phosphorus centers were obtained via a reaction of phosphanylmethanides RR′CH2Li with cat2PCl. The presence of accessible...
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Stabilizing forces in trapezoidal sheeting used as a part of the bracing system
PublikacjaIn the analysis of bracing systems imperfections of the restrained elements should be considered. According to EC3 this effect can be calculated by means of the equivalent stabilizing force, which replaces (in simplified way) initial bow imperfection of the braced element. However, alternative suggestions of the equivalent stabilizing force calculations can be also found in the literature. In this paper segment of the pitched roof...
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Prediction of Wastewater Quality at a Wastewater Treatment Plant Inlet Using a System Based on Machine Learning Methods
PublikacjaOne of the important factors determining the biochemical processes in bioreactors is the quality of the wastewater inflow to the wastewater treatment plant (WWTP). Information on the quality of wastewater, sufficiently in advance, makes it possible to properly select bioreactor settings to obtain optimal process conditions. This paper presents the use of classification models to predict the variability of wastewater quality at...
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Impact of dyes isomerization effect on the charge transfer phenomenon occurring on the dye/nanosemiconductor interface
PublikacjaThe present work aimed to find the answer how does the isomerization of the Ru based dyes affect the overall photon-to-current efficiency of the DSSCs and to explain the charge transfer phenomenon occurring on the dye/ nanosemiconductor interface. Therefore, electronic and optical properties of three bipyridine derivatives anchored on the TiO2 electrode were investigated by computational simulations based on quantum chemistry codes...
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublikacjaAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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Investigation of ecological parameters of a gas turbine combustion chamber with steam injection for the floating production, storage, and offloading vessel
PublikacjaThe article is dedicated to the investigation of the possibility of using the contact type gas turbine cycle with steam injection into the combustion chamber for the floating production, storage, and offloading vessel in order to increase the specific power and efficiency and reduce emissions of toxic components. A new approach is proposed, associated with the use of the two-stage injection of superheated steam into a gas turbine...
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Stabilizing forces in trapezoidal sheeting used as a part of the bracing system
PublikacjaIn the analysis of bracing systems imperfections of the restrained elements should be considered. According to EC3 this effect can be calculated by means of the equivalent stabilizing force, which replaces (in simplified way) initial bow imperfection of the braced element. However, alternative suggestions of the equivalent stabilizing force calculations can be also found in the literature. In this paper segment of the pitched roof...
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EXPERIMENTAL AND NUMERICAL INVESTIGATION ON SPECIMEN GEOMETRY EFFECT ON THE CTOD VALUE FOR VL-E36 SHIPBUILDING STEEL
PublikacjaThere are special cases in the marine industry, where additional material tests, such as the fracture toughness test, must be performed. Additional fracture toughness tests, such as CTOD (Crack Tip Opening Displacement), are typically performed on three-point bend specimens. The dimension that defines all the specimen dimensions is the thickness of the material to be tested. It is recommended by classification societies (e.g. DNVGL)...
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Superconductivity in CaBi2
PublikacjaSuperconductivity is observed with critical temperature Tc = 2.0 K in self-flux-grown single crystals of CaBi2. This material adopts the ZrSi2 structure type with lattice parameters a = 4.696(1) Å, b = 17.081(2) Å and c = 4.611(1) Å. The crystals of CaBi2 were studied by means of magnetic susceptibility, specific heat and electrical resistivity measurements. The heat capacity jump at Tc is DC/gTc = 1.41, confirming bulk superconductivity;...
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Integrated model for the fast assessment of flood volume: Modelling – management, uncertainty and sensitivity analysis
PublikacjaThe specific flood volume is an important criterion for assessing the performance of sewage networks. It has been shown that its value is greatly influenced by the layout of the sewers in the catchment area, which is usually expressed by a fractal dimension. Currently, only mechanistic models (such as SWMM) enable the determination of the impact of the layout of the sewers on flooding volume, but they require additional and robust...
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Mechanochemically synthesized Mn3O4@β-cyclodextrin mediates efficient electron transfer process for peroxymonosulfate activation
PublikacjaThe rational surface engineering of heterogeneous catalysts is of great significance in advanced oxidation processes (AOPs) for eliminating refractory contaminants but remains challenging. In this study, β-cyclodextrin modified Mn3O4 (Mn3O4@β-CD) was prepared through a mechanochemical approach for peroxymonosulfate (PMS) activation, which achieved efficient bisphenol A (BPA) removal via electron transfer process (ETP). The reactive...
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Discrete element method simulations of fracture in concrete under uniaxial compression based on its real internal structure
PublikacjaThe paper describes experimental and numerical results of concrete fracture under quasi-static uniaxial compression. Experimental uniaxial compression tests were performed on concrete cubic specimens. Fracture in concrete was detected at the aggregate level by means of three non-destructive methods: three-dimensional X-ray microcomputed tomography, two-dimensional scanning electron microscope and manual two-dimensional digital...
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ANALIZA WPŁYWU NIEJEDNOCZESNOŚCI ZAMYKANIA BIEGUNÓW ŁĄCZNIKA NA PRĄDY ZAŁĄCZENIOWE TRANSFORMATORA W STANIE JAŁOWYM
PublikacjaW artykule przedstawiono wyniki obliczeń symulacyjnych prądów załączeniowych transformatora dla różnych sekwencji zamykania biegunów łącznika. Sekwencje różniły się kolejnością łączenia faz oraz czasami opóźnienia w zamykaniu biegunów. Rozważono także kilka wariantów stanu namagnesowania szczątkowego rdzenia. Na podstawie analizy wyników stwierdzono, że przy jednoczesnym zamykaniu biegunów łącznika, właściwy dobór chwili załączenia...
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Dynamika bezzałogowego aparatu latającego w układzie czterowirnikowego pionowzlotu
PublikacjaDziałanie maszyn, w tym również pojazdów latających, jest nieodłącznie związane z przekazywaniem oddziaływań siłowych: statycznych i dynamicznych. Dynamika jest działem mechaniki zajmującym się makroskopowym ruchem ciał przy uwzględnieniu przyczyn wywołujących ten ruch. Pierwszym etapem analizy dynamiki konstrukcji są zwykle obliczenia wartości i postaci drgań własnych modelu konstrukcji. Drgania własne zwykle ulegają szybkiemu...
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Wpływ zastosowania nakładek wzmacniających środnik na nośność i sztywność doczołowego węzła śrubowego.
PublikacjaCiągłe dążenie do upraszczania elementów konstrukcyjnych oraz znajdowania mniej czasochłonnych rozwiązań wykonawczo – montażowych wraz z nieuchronnym wzrostem kosztów robocizny determinują m.in. eliminację z procesów technologicznych tych etapów, które nie podlegają automatyzacji. Taką czynnością jest przede wszystkim spawanie dodatkowych wzmocnień i usztywnień węzłów w postaci żeber. Efektem wieloletnich badań jest metoda przedstawiona...
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Ekonomiczne aspekty strategii utrzymania torów kolejowych
PublikacjaW ostatnich lata coraz więcej uwagi poświęca się analizie kosztów cyklu życia (Life Cycle Cost - LCC) w zakresie planowania strategii utrzymania infrastruktury kolejowej. Większość prac ogranicza się jednak do kosztów bezpośrednich (planowanych), takich jak budowy, konserwacji, odnowienia i utylizacji. Takie podejście prowadzi do niedoszacowania kosztów wynikających z niskiej jakości geometrii toru. W artykule przedstawiona została...
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Prowadzenie ruchu małej elektrociepłowni gazowej według kryterium efektu ekonomicznego
PublikacjaCechą charakterystyczną źródeł gazowych jest ich duża elastyczność ruchowa, w porównaniu do większości źródeł konwencjonalnych i odnawialnych. Cecha ta może i powinna być wykorzystywana do poprawy wskaźników ekonomicznych obiektu. W tym celu należy przeanalizować możliwości jakie daje prowadzenie ruchu źródeł nie w standardzie pracy z wymuszeniem zapotrzebowania na ciepło, ale właśnie maksymalnie wykorzystując elastyczność ruchową...
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Prowadzenie ruchu małego źródła kogeneracji gazowej według kryterium efektu ekonomicznego
PublikacjaCechą charakterystyczną źródeł gazowych jest ich duża elastyczność ruchowa, w porównaniu do większości źródeł konwencjonalnych i odnawialnych. Cecha ta może i powinna być wykorzystywana do poprawy wskaźników ekonomicznych obiektu. W tym celu należy przeanalizować możliwości jakie daje prowadzenie ruchu źródeł nie w standardzie pracy z wymuszeniem zapotrzebowania na ciepło, ale właśnie maksymalnie wykorzystując elastyczność ruchową...
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Management and economic of engineer projects
Kursy OnlineLectures - 05 October-30 November, 2023 1. Project management: Engineers, projects, management, planning and scheduling, personnel and organizational, team building, project control, estimating and ordering. 2. Team building: personality types, team effectiveness. 3. Project management: WBS, Gantt, Earned Value Method, critical path, risk management. 4. Economic Engineering: Establishing economic equivalence, Interest: cost...
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Cyclic behaviour modelling of additively manufactured Ti-6Al-4V lattice structures
PublikacjaThe present work is concerned with the numerical modelling of the cyclic behaviour of Ti-6Al-4V lattice structures. In the study, diamond structures of titanium alloy produced by the additive laser powder bed fusion (LPBF) method with different degrees of relative density were used. Realistic geometric models of the studied mesostructures were generated using computed microtomography, taking into account the imperfections of the...
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Ionic thermoelectric effect in Cu2-δSe during phase transition
PublikacjaThe ionic Seebeck coefficient was studied in copper selenide with Cu1.99Se, Cu1.95Se and Cu1.8Se stoichiometry which was synthesized with a melt crystallization method. To measure the ionic Seebeck coefficient of copper ions, 0.15C6H12N4CH3I + 0.85CuI solid-state electrolyte was prepared. Electrolyte layers were pressed with copper selenide powder into a sandwich-like structure. At the temperature of 410 K, the materials have ionic...
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Performance of cryogenic oxygen production unit with exhaust gas bleed for sewage sludge gasification and different oxygen purities
PublikacjaThe paper presents a thermodynamic analysis of the integration of a cryogenic air separation unit into a negative CO2 emission gas power plant. The power cycle utilizes sewage sludge as fuel so this system fits into the innovative idea of bioenergy with carbon capture and storage. A cryogenic air separation unit integrated with the power plant was simulated in professional plant engineering and thermodynamic process analysis software....
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Wave Frequency Effects on Damage Imaging in Adhesive Joints Using Lamb Waves and RMS
PublikacjaStructural adhesive joints have numerous applications in many fields of industry. The gradual deterioration of adhesive material over time causes a possibility of unexpected failure and the need for non-destructive testing of existing joints. The Lamb wave propagation method is one of the most promising techniques for the damage identification of such connections. The aim of this study was experimental and numerical research on...
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Comparison and Analysis of Service Selection Algorithms
PublikacjaIn Service Oriented Architecture, applications are developed by integration of existing services in order to reduce development cost and time. The approach, however, requires algorithms that select appropriate services out of available, alternative ones. The selection process may consider both optimalization requirements, such as maximalization of performance, and constraint requirements, such minimal security or maximum development...
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A compartment model of alveolar–capillary oxygen diffusion with ventilation–perfusion gradient and dynamics of air transport through the respiratory tract
PublikacjaThis paper presents a model of alveolar–capillary oxygen diffusion with dynamics of air transport through the respiratory tract. For this purpose electrical model representing the respiratory tract mechanics and differentia equations representing oxygen membrane diffusion are combined. Relevant thermodynamic relations describing the mass of oxygen transported into the human body are proposed as the connection between these models,...
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Functionalization of Parylene During Its Chemical Vapor Deposition
PublikacjaTwo possible mechanisms for the reaction of four halogenated (metha)acrylate-based molecules with Parylene [poly (paraxylylene)] during its chemical vapor deposition were proposed. The chemical reactivity of acrylate double bond with the paraxylylene biradical was calculated for all four (metha)acrylate-based molecules. These calculations allowed the evaluation of the energetically favorable mechanism and indeed a direct correlation...
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Load capacity and serviceability conditions for footbridges made of fibre-reinforced polymer laminates = Warunki nośności i użytkowalności w odniesieniu do kładek z laminatów polimerowych
PublikacjaThe contribution is focused on derivation of the Ultimate Limit State (ULS) and Serviceability Limit State (SLS) design criteria for footbridges built of fibre-reinforced polymer matrix (FRP) laminates. The ULS design criterion is based on the design guidelines for above-ground, pressure, FRP composite tanks and the Tsai-Wu failure criterion, which is used to predict the onset of FRP laminates damage. The SLS criterion is based...
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Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials
PublikacjaA combination of theoretical calculation and the experimental synthesis to explore the new ternary compound is demonstrated in the Sr–Pt–Bi system. Because Pt–Bi is considered as a new critical charge-transfer pair for superconductivity, it inspired us to investigate the Sr–Pt–Bi system. With a thorough calculation of all the known stable/metastable compounds in the Sr–Pt–Bi system and crystal structure predictions, the thermodynamic...
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Electron-impact dissociation of molecular hydrogen: benchmark cross sections
PublikacjaWe present a joint experimental and theoretical investigation of a fundamental process in atomic and molecular physics: electron impact excitation of molecular hydrogen’s (H2) most dominant transition (X1Σg+ → b3Σu+). Excitation of this state is by far the main channel that causes the dissociation of H2 into H + H atoms at low energies. The Convergent Close-Coupling (CCC) calculations predicted significant, more than factor of...
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THE EFFECT OF NOTCH DEPTH ON CTOD VALUES IN FRACTURE TESTS OF STRUCTURAL STEEL ELEMENTS
PublikacjaIn elements of steel structures working at low temperatures, there is a risk of appearance of brittle fracture. This risk is reduced through the use of certified materials having guaranteed strength at a given temperature. A method which is most frequently used to determine brittle fracture toughness is the Charpy impact test, preformed for a given temperature. For offshore structures intended to work in the arctic climat e, the...
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THE PROBLEM OF AIRFLOW AROUND BUILDINGS CLUSTERS IN DIFFERENT CONFIGURATIONS
PublikacjaIn the paper, the authors discuss the construction of a model of an exemplary urban layout. Numerical simulation has been performed by means of a commercial software Fluent using two different turbulence models: the popular k-ε realizable one, and the Reynolds Stress Model (RSM), which is still being developed. The former is a 2-equations model, while the latter – is a RSM model – that consists of 7 equations. The studies have...
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A method of Functional Test interval selection with regards to Machinery and Economical aspects
PublikacjaThis paper discusses the problem of choosing the optimal frequency of functional test, including the reliability calculations and production efficiency, but also the effect of company risk management. The proof test as a part of the functional test interval is well described for the process industry. Unfortunately, this situation is not the case for the machinery safety functions with low demand mode. Afterwards, it is presented...
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Dynamic model of nuclear power plant turbine
PublikacjaThe paper presents the dynamic multivariable model of Nuclear Power Plant steam turbine. Nature of the processes occurring in a steam turbine causes a task of modeling it very difficult, especially when this model is intended to be used for on-line optimal process control (model based) over wide range of operating conditions caused by changing power demand. Particular property of developed model is that it enables calculations...
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CFD and FEM model of an underwater vehicle propeller
PublikacjaDuring the project execution of design and optimization the Remotely Operated Vehicle (ROV) research on its propulsion has been carried out. The entire project was supported by CFD and FEM calculations, which taking into account the characteristics of underwater vehicle. One of the tasks was to optimize the semi-open duct for horizontal propellers, which provided propulsion and controllability in horizontal plane. In order to...
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublikacjaThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...