Filtry
wszystkich: 1356
-
Katalog
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: AB INITIO CALCULATIONS
-
Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublikacjaWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
-
π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublikacjaThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
-
Magnetic-dipole-to-electric-quadrupole cross-susceptibilities for relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublikacjaIn this paper we present tabulated data for magnetic-dipole-to-electric-quadrupole cross-susceptibilities (χ_{M1→E2}) for Dirac one-electron atoms with a pointlike, spinless and motionless nucleus of charge Ze. Numerical values of this susceptibility for the hydrogen atom (Z = 1) and for hydrogenic ions with 2 \leqslant Z \leqslant 137 are computed from the general analytical formula, recently derived by us (Stefanska, 2016), valid...
-
On Accuracy Modeling of Gas Turbine Cycles by the In-house COM-GAS Code
PublikacjaIn this paper, a comparison of accuracy modeling of gas turbine cycles between the basic (classical) model and the in-house COM-GAS code has been presented. The basic model uses a semi-perfect gas and well known projecting assumption. On the other hand, the computational flow mechanics (CFM) basis on a real gas by using thermodynamic tables. The thermodynamic analysis of thermal cycles, simply gas cycle GT8C and gas turbine cycle...
-
Design analysis of ORC micro-turbines making use of thermal energy of oceans
PublikacjaThe article presents the results of the analysis of energy conversion cycles making use of thermal energy of oceans. The objects of analysis were two cases of closed Organic Rankine Cycle (ORC) power plants, which were: the cycle in which the vapour of the working medium was produced by warm oceanic water in the circum-equatorial zone, and the so-called “arctic” cycle in which this vapour was produced by non-frozen water in the circumpolar...
-
Analytical model with non-adiabatic effects for pressure drop and heat transfer during boiling and condensation flows in conventional channels and minichannels
PublikacjaIn the paper a method developed earlier by authors is applied to calculations of pressure drop and heat transfer coefficient for boiling flow and condensation flow with account of non- adiabatic effects for some recent data collected from literature. The first effect, the modification of interface shear stresses in annular flow pattern is considered through incorporation of the so called "blowing parameter". The mechanism of...
-
seafloor characterisation combined approach using multibeam sonar echo signal processing and image analysis
PublikacjaThe authors propose the approach to seafloor characterisation which relies on the combined, concurrent use of two different techniques: (i) multibeam sonar image analysis and (ii) multibeam seabed echoes processing. The first technique is based on constructing the grey-level sonar images of the seabed extracted from the echoes received in the consecutive soundings. Then, the set of parameters describing the local region of sonar...
-
OPERATING CONDITIONS OF SLIDE BEARINGS OF MILLS USED IN KGHM POLSKA MIEDŹ S.A.
PublikacjaThe paper contains the results from a tec hnical analysis of the conditions of the operation of hydrodynamic bearings supporting the drums of ore processing mills at KGHM Polska Mied ź S.A. A theoretical analysis was performed on the grounds of onsite examination and measurem ents of principal dimensions of the bearings of interest. The computer simulation covered the characteristics of the oil film in the bearings...
-
Ionospheric scintillations computation using real-time GPS observations
PublikacjaThe following paper presents the results of quasi-real-time determination of the values of phase scintillations indices at the period of ionospheric disturbances that occurred as a consequence of the Sun flares observed on March 7 and 9, 2012. Double-frequency observations with 1-second measurement interval from the EPN (EUREF Permanent Network) network sites located at high latitudes were used for the analysis. To determine the phase...
-
Comparison of safety levels required by adequate regulations for cargo ships of different types
PublikacjaDuring the currently ongoing development of methods for assessing the safety of ships, it is imperative that a compromise between the accuracy of the results and the accessibility of obtaining results is reached. This paper shows the calculations of a theoretical hull against damage stability regulations as included in SOLAS 2020, ICLL 66/88 as amended in 2003 and MARPOL 78. The rules included in the currently valid regulations require...
-
DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublikacjaInteractions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide...
-
Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublikacjaFo subcomplex of ATP synthase is a membrane-embedded rotary motor that converts proton motive force into mechanical energy. Despite a rapid increase in the number of high-resolution structures, the mechanism of tight coupling between proton transport and motion of the rotary c-ring remains elusive. Here, using extensive all-atom free energy simulations, we show how the motor’s directionality naturally arises from the interplay...
-
Impact of Galileo Observations on the Position and Ambiguities Estimation of GNSS Reference Stations
PublikacjaDevelopment of Galileo navigation system has caused that it is increasingly used in various areas. One of the most important of them is precise positioning of the reference networks. In this paper we present the impact of Galileo observations on the differential precise positioning as well as ambiguities resolution of selected GNSS stations. We tested five different solutions: GPS-only, Galileo-only, GPS/Galileo, GPS/GLONASS and...
-
Examination of advanced isotropic constitutive laws under complex stress states in plain and reinforced concrete specimens
PublikacjaThe performance of advanced isotropic constitutive laws under complex stress states in plain and reinforced concrete specimens is investigated. Three different formulations are chosen: original Mazars model, Mazars mi model and model proposed by Pereira and coworkers. The degradation of the material in all formulations is described via a single variable, but a strain/stress state is taken into account via quite sophisticated relationships....
-
The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublikacjaThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
-
Reduction of road traffic noise by source measures — present and future strategies
PublikacjaThe current trend worldwide is less focused on reducing road traffic noise. This is in strong contrast to the severe impact of traffic noise to the general health and quality of life. A more holistic and combined strategy is needed. Current international rules and regulations regarding vehicles and tyres are not sufficient to reduce traffic noise levels in an effective way. Calculations show that these regulations will only yield...
-
Experimental and analytical analysis of punching shear in flat slabs supported on column topped with concrete head
PublikacjaAn experimental laboraatory test of the two series of slab-column elements topped with drop panels of varying sizes is described in this paper. The scope of the paper is to investigate the influence of the drop panel size and stiffness on the behaviour of the connection between the flat slab and the column topped by the concrete head. The impact of the head size and stiffness is analysed analytically and experimentally. The experimental...
-
Fatigue Performance of Double-Layered Asphalt Concrete Beams Reinforced with New Type of Geocomposites
PublikacjaThe reinforcement of asphalt layers with geosynthetics has been used for several decades, but proper evaluation of the influence of these materials on pavement fatigue life is still a challenging task. The presented study investigates a novel approach to the reinforcement of asphalt layers using a new type of geogrid composite, in which square or hexagonal polypropylene stiff monolithic paving grid with integral junctions is bonded...
-
Towards an Understanding of the Stability Assessment of Floating Buildings
PublikacjaOne of the most important aspects of the design of floating facilities such as ships, floating offshore structures or floating houses is stability. Its impact on both general safety and operational aspects renders it a fundamental consideration already in preliminary design stages. Usually, the concept of sufficient stability of floating buildings is associated with the ability to keep an allowed heel angle and residual freeboard,...
-
Optical flow method for measuring deformation of soil specimen subjected to torsional shearing
PublikacjaIn this study optical flow method was used for soil small deformation measurement in laboratory tests. The main objective was to observe how the deformation distributes along the whole height of cylindrical soil specimen subjected to torsional shearing (TS test). The experiments were conducted on dry non-cohesive soil specimens under two values of isotropic pressure. Specimens were loaded with low-amplitude cyclic torque to analyze...
-
Electron-Induced Decomposition of Uracil-5-yl O-(N,N-dimethylsulfamate): Role of Methylation in Molecular Stability
PublikacjaThe incorporation of modified uracil derivatives into DNA leads to the formation of radical species that induce DNA damage. Molecules of this class have been suggested as radiosensitizers and are still under investigation. In this study, we present the results of dissociative electron attachment to uracil-5-yl O-(N,N-dimethylsulfamate) in the gas phase. We observed the formation of 10 fragment anions in the studied range of electron...
-
Shear band evolution phenomena in direct shear test modelled with DEM.
PublikacjaA direct shear test is widely used in the geotechnical engineering field. It is an easy and quick test to measure the shear properties of soil. This test often replaces more expensive and difficult tri-axial shear test. Despite that the direct shear test is known and used for a long time, it is still not well investigated at the grain scale. This paper deals with the micro behaviour of the cohesionless sand inside the direct shear...
-
Potential energy curves, transition and permanent dipole moments of KRb
PublikacjaWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
-
Performance of the domestic micro ORC equipped with the shell-and-tube condenser with minichannels
PublikacjaIn this paper, the original compact shell-and-tube heat exchanger with circular minichannels of in-house design and manufacturing is presented as the condenser for the domestic micro heat and power plant investigations as well as other future technical applications. The heat exchanger is equipped with turbulizing baffles inside the shell. The shell itself is made of a tubular sleeve having an inner diameter of 0.067 m and the length...
-
Design Equation for Stirring Fluid by a Stream Pump in a Circulating Tank
PublikacjaA circulating tank is a very useful theoretical scheme for many fluid-flow objects in several branches of engineering. The motion of the fluid in such objects can be induced in different ways. A stream pump provides an especially interesting possibility; however, the quantitative description of such devices shows some shortcomings. Such a device is analogous to a jet pump, thus has similar advantages (simplicity of construction,...
-
Prediction of cast-in-place concrete strength of the extradosed bridge deck based on temperature monitoring and numerical simulations
PublikacjaThe work is devoted to the implementation of a monitoring system for high performance concrete embedded in the span of an extradosed bridge deck using a modified maturity method augmented by numerical simulations conducted by the authors’ FEM code. The paper presents all research stages of bridge construction and considers the conclusions drawn from the results of laboratory tests, field measurements, and numerical calculations....
-
Mathematical models of process quality on the example of the bakery industry
PublikacjaThis article presents a new approach to quantitative dimensionless assessment of the efficiency and competitiveness of production processes. New concepts of process quality and relative product quality have been introduced. Process quality was expressed in vector and scalar. The process quality vector ono was expressed by the product of reliability by the vector from the sum of three components taking into account the composition...
-
Oriented Gaussian beams for high-accuracy computation with accuracy control of X-ray propagation through a multi-lens system
PublikacjaA highly accurate method for calculating X-ray propagation is developed. Within this approach, the propagating wave is represented as a superposition of oriented Gaussian beams. The direction of wave propagation in each Gaussian beam agrees with the local direction of propagation of the X-ray wavefront. When calculating the propagation of X-ray waves through lenses, the thin lens approximation is applied. In this approximation,...
-
Comparative Evaluation of Selected Biological Methods for the Removal of Hydrophilic and Hydrophobic Odorous VOCs from Air
PublikacjaDue to increasingly stringent legal regulations as well as increasing social awareness, the removal of odorous volatile organic compounds (VOCs) from air is gaining importance. This paper presents the strategy to compare selected biological methods intended for the removal of different air pollutants, especially of odorous character. Biofiltration, biotrickling filtration and bioscrubbing technologies are evaluated in terms of...
-
Experimental tests of lintel hybrid beams
PublikacjaThe results of experimental tests of lintel hybrid beams made of air concrete and prestressed concrete were presented in paper. Blocks of air concrete was a protective element for the construction one. The length of hybrid beams was 3.0 m, while total height 27 cm. It was assumed that hybrid beams will work in the simply-supported scheme (with a 10 cm support) loaded uniformly over the entire length. The object of the tests were...
-
Mathematical Modeling of the Impact Range of Sewage Discharge on the Vistula Water Quality in the Region of Włocławek
PublikacjaThe paper presents results of analysis of the industrial sewage discharge influence at km 688 + 250 of the Vistula River on water quality. During the analysis, two-dimensional models of flow, impurities and temperature transport were used. Hydrological conditions of the analyzed section of the river, characteristic flows and bathymetry of the riverbed in the first instance were defined. Calculations of velocity distribution at...
-
Studying road restraint systems to develop new guidelines
PublikacjaThe paper will present a proposed approach to such work along with preliminary results of numerical studies for selected problems using road safety devices such as safety barriers on horizontal curves, the effect of kerbs on bridges or the location of obstacles within the barrier’s working width. The paper will discuss assumptions to a methodology of numerical models, calculations and automated processing of data to help with assessing...
-
Tuning of the plasmon resonance location in Au nanostructures coated with a ultrathin film of Al2O3 – Optical measurements and FDTD simulations
PublikacjaThe Au nanostructures have been coated with an ultra-thin films of amorphous aluminium oxide. Optical absorption spectra show the influence of the thickness of Al2O3 on plasmon resonance wavelength. The observed red-shift of the resonance location with the increase of the thickness of the Al2O3 film, can be explained by the change in the dielectric function of this film. It allows control of the optical spectra of the coated particles....
-
EXPERIMENTAL AND NUMERICAL INVESTIGATIONS OF CONCRETE BEHAVIOUR AT MESO-LEVEL DURING QUASI-STATIC SPLITTING TENSION
PublikacjaThe paper describes experimental and numerical results of quasi-static splitting tensile tests on concrete specimens at meso-scale level. The loading strip was made of plywood or steel. Fracture in concrete was detected at the aggregate level by means of three non-destructive methods: 3D x-ray micro-computed tomography, 2D scanning electron microscope and manual 2D digital microscope. The discrete element method was used to directly...
-
Ocena systemów uziemień z wykorzystaniem pomiarów metodą udarową
PublikacjaW artykule zostały omówione procedury i wymagania stawiane systemom uziemień przez przepisy normalizacyjne z punktu widzenia ich skuteczności w systemie ochrony odgromowej. Podstawą tak sformułowanej oceny są pomiary z zastosowaniem metody udarowej. Metoda taka okazuje się bardzo przydatna zwłaszcza w przypadku uziemień rozległych, jakie pojawiają się we współczesnych obiektach wskutek połączenia różnych elementów uziemiających...
-
Studies on the charge density distribution in p-substituted phenylnitrenium cation
PublikacjaAniline and its derivatives are known to be mutagenic. This activity is caused by the formation of phenylnitrenium cations during aniline oxidation. Reactivity of the positively charged chemical species can be measured by means of s+ substituent constant. In this paper charge density distribution in p-substituted nitrenium cations and reactivity indices such as, hardness η, electronegativity χ , and electrophilicily ω were analyzed....
-
Numerical Analysis of Mice Carotid Arteries’ Response Emphasizing the Importance of Material Law Constants’ Validation
PublikacjaIn this paper, a detailed validation of the passive material properties of mice carotid arteries and constants of the Fung and Holzapfel hyperelastic material laws is conducted by means of static nonlinear FEM analyses. The response of the carotid arteries in an inflation test is studied here for the following mouse models: wild-type, mdx, sgcd−/−, Eln+/+, Eln+/−, Fbln5+/+, and Fbln5−/−. All FEM computations are conducted on models...
-
Example of Using Particle Swarm Optimization Algorithm with Nelder–Mead Method for Flow Improvement in Axial Last Stage of Gas–Steam Turbine
PublikacjaThis article focuses principally on the comparison baseline and the optimized flow efficiency of the final stage of an axial turbine operating on a gas–steam mixture by applying a hybrid Nelder– Mead and the particle swarm optimization method. Optimization algorithms are combined with CFD calculations to determine the flowpaths and thermodynamic parameters. The working fluid in this study is a mixture of steam and gas produced...
-
Influence of geometrical and operational parameters on tooth wear in the working mechanism of a satellite motor
PublikacjaThis article describes the phenomena affecting the wear of the rotor of the working mechanism in a hydraulic satellite motor. The basic geometrical relationships that allow the calculation of the coordinates of the points of contact between the satellite and the rotor and the curvature are presented. A method for calculating the number of contacts of the satellite teeth with the rotor teeth and of the satellite teeth with the curvature...
-
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...
-
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...
-
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;...
-
Superconductivity in the Cu(Ir1-xPtx)2Se4 spinel
PublikacjaWe report the observation of superconductivity in the CuIr2Se4 spinel induced by partial substitution of Pt for Ir. The optimal doping level for superconductivity in Cu(Ir1-xPtx )2Se4 is x = 0.2, where Tc is 1.76 K. A superconducting Tc vs composition dome is established between the metallic, normal conductor CuIr2Se4 and semiconducting CuIrPtSe4. Electronic structure calculations show that the optimal Tc occurs near the electron count...
-
COMPUTER-AIDED CONSTRUCTION AT DESIGNING REINFORCED CONCRETE COLUMNS AS PER EC
PublikacjaThe article presents the author’s computer program for designing and dimensioning columns in reinforced concrete structures taking into account phenomena affecting their behaviour and information referring to design as per EC. The computer program was developed with the use of C++ programming language. The program guides the user through particular dimensioning stages: from introducing basic data such as dimensions, concrete...
-
Comparitive study of heat transfer and pressure drop during flow boiling and flow condensation in minichannels
PublikacjaIn the paper a method developed earlier by authors is applied to calculations of pressure drop and heat transfer coefficient for flow boiling and also flow condensation for some recent data collected from literature for such fluids as R404a, R600a, R290, R32,R134a, R1234yf and other. The modification of interface shear stresses between flow boiling and flow condensation in annular flow structure are considered through incorporation...
-
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...
-
Study of the Influence of Heat Convection Coefficient on Predicted Performance of a Large Tilting-Pad Thrust Bearing
PublikacjaPart of the heat generated by the shearing of the lubricating film during operation of a hydrodynamic bearing is transferred to the bearing components. In the case of the pad, which is usually fully submerged in the lubricating oil, heat is further transferred at the pad free walls to the oil by convection. This mechanism causes a thermal gradient in a pad and, consequently, its thermal deflection. In large hydrodynamic thrust...
-
Structure and paramagnetism in weakly correlated Y8Co5
PublikacjaWe report the basic physical properties of monoclinic Y8Co5 determined by means of magnetic susceptibility, electrical resistivity, and specific heat measurements. The crystal structure of Y8Co5 is monoclinic (P21/c) with lattice parameters a = 7.0582(6) Å, b = 7.2894(6) Å, c = 24.2234(19) Å, and β = 102.112(6)° as refined by using synchrotron powder x-ray diffraction data. The compound shows temperature independent paramagnetism...
-
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...
-
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...