Filters
total: 2486
filtered: 2225
displaying 1000 best results Help
Search results for: WATER CLUSTERS, MOLECULAR INTERACTIONS, HYDROGEN BONDS, AB INITIO CALCULATIONS, ELASTIC SCATTERING, DIRAC-HARTREE-FOCK SELF-CONSISTENT FIELD, GAUSSIAN FUNCTION BASIS SE
-
The influence of reactions conditions on aggregation of dyes used in biochemistry
PublicationSelf-association of dyes and related substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules. In spite of many studies concerning the dimerization equilibria of dyes and related substances, the mechanism seems not...
-
Intercultural interactions at multinational corporations' workplace: Grounded theory.
Publicationenvironments is a new challenge for employees and managers. The aim of the paper is to analyze the social interactions in multicultural environments of multinational corporations (MNCs) as well as to propose a model of intercultural social interactions in MNCs’ specifi c context. Design/methodology/approach: The grounded theory approach was applied to create a model of intercultural interactions in MNCs. The data was obtained during...
-
Boron-Doped Diamond/GaN Heterojunction—The Influence of the Low-Temperature Deposition
PublicationWe report a method of growing a boron-doped diamond film by plasma-assisted chemical vapour deposition utilizing a pre-treatment of GaN substrate to give a high density of nucleation. CVD diamond was deposited on GaN substrate grown epitaxially via the molecular-beam epitaxy process. To obtain a continuous diamond film with the presence of well-developed grains, the GaN substrates are exposed to hydrogen plasma prior to deposition....
-
A Note on Fractional Curl Operator
PublicationIn this letter, we demonstrate that the fractional curl operator, widely used in electromagnetics since 1998, is essentially a rotation operation of components of the complex Riemann–Silberstein vector representing the electromagnetic field. It occurs that after the wave decomposition into circular polarisations, the standard duality rotation with the angle depending on the fractional order is applied to the left-handed basis vector...
-
Application of the distributed transfer function method and the rigid finite element method for modelling of 2-D and 3-D systems
PublicationIn the paper application of the Distributed Transfer Function Method and the Rigid Finite Element Method for modelling of 2-D and 3-D systems is presented. In this method an elastic body is divided into 1-D distributed parameter elements (strips or prisms). The whole body (divided into strips or prism) is described by a set of coupled partial differential equations. Solving this equations in the state space form it is possible...
-
Ellipsometric study of carbon nitride films deposited by DC-magnetron sputtering
PublicationWe report the optical properties of a carbon nitride (CNx) film as a function of nitrogen concentration (N/C) of the deposited film. As nitrogen concentration is increased (N/C ratio) in a CNx film, the refractive index and band gap also increase. The real and imaginary parts, n and k (refractive index and extinction coefficient) of the complex refraction index of carbon nitride films were determined by spectroscopic ellipsometry...
-
Spatially variant PSF modeling in confocal macroscopy
PublicationThe point spread function (PSF) of imaging systems plays an essential role in image reconstruction. In the context of confocal microscopy, optical performance degrades towards the edge of the field of view. In confocal macroscopy, the related artifacts are even stronger, as the field of view is much larger. Because the related PSFs are strongly spatially variant, it is essential to be able to model them with few parameters. The...
-
Assessment of particular abdominal aorta section extraction from contrast-enhanced computed tomography angiography
PublicationThe aim of this work is to improve the accuracy of extraction of a particular abdominal aorta section and to reduce the distortion in three-dimensional Computed Tomography Angiography (CTA) images. Imaging modality and quality plays crucial role in the medical diagnostic process, thus ensuring high quality of images is essential at every stage of acquisition and processing.Noise is defined as a disturbance of the image quality...
-
Increasing K-Means Clustering Algorithm Effectivity for Using in Source Code Plagiarism Detection
PublicationThe problem of plagiarism is becoming increasingly more significant with the growth of Internet technologies and the availability of information resources. Many tools have been successfully developed to detect plagiarisms in textual documents, but the situation is more complicated in the field of plagiarism of source codes, where the problem is equally serious. At present, there are no complex tools available to detect plagiarism...
-
Rating mathematical models for first-pass of tracer in pCT lung studies
PublicationThis paper presents a comparison of model based on the Gauss function and the most commonly used Gamma-variate model in perfusion computed tomography (pCT) lung studies. It also verifies whether used model affects value of blood volume parameter. Three mean concentration-time curves were created from actual pCT measurements: arterial input function, blood vessels in lungs and lung parenchyma. On the basis of these mean curves we...
-
The impedance of hydrogen oxidation reaction in a proton exchange membrane fuel cell in the presence of carbon monoxide in hydrogen stream
PublicationEvaluation of performance of a proton exchange membrane fuel cell, which is affected by carbon monoxide that pollutes the hydrogen stream, was presented. This influence was studied for carbon monoxide concentration of 125–325 ppb, which are close to values specified in ISO 14687:2019 standard. Performed studies provided crucial information for further development of fuel cell as an energy source for automotive application. Impedance...
-
Wet H2S corrosion and degradation of pipeline in amine regeneration system
PublicationThe paper presents the results of NDT examinations, metallographic tests and risk assessment of degradation related to corrosion of amine regeneration unit in a desulphurisation system. Intensive corrosion resulting from acid gases environment upon water condensation causes perforation of the pipeline. Detailed analysis reveals cracking related to the mechanism of wet H2S. Hydrogen penetration, resulting from the wet H2S process,...
-
Multicopy Suppressor Analysis of Strains Lacking Cytoplasmic Peptidyl-Prolyl cis/trans Isomerases Identifies Three New PPIase Activities in Escherichia coli That Includes the DksA Transcription Factor
PublicationConsistent with a role in catalyzing rate-limiting step of protein folding, removal of genes encoding cytoplasmic protein folding catalysts belonging to the family of peptidyl-prolyl cis/trans isomerases (PPIs) in Escherichia coli confers conditional lethality. To address the molecular basis of the essentiality of PPIs, a multicopy suppressor approach revealed that overexpression of genes encoding chaperones (DnaK/J and GroL/S),...
-
Tunable Dielectric Switching of (Quinuclidinium)[MnCl4] Hybrid Compounds
PublicationInorganic−organic hybrid QMnCl (Q = quinuclidinium) crystals were synthesized and characterized. The X-ray and variable-temperature IR/Raman analysis demonstrate that the crystals undergo a reversible structural phase transition, which originates from an order−disorder process and is related to the dynamics of the organic Q cation. Dielectric function measurements disclose a switchability between low (“OFF”) and high (“ON”) dielectric...
-
Erroneous GNSS Strain Rate Patterns and their Application to Investigate the Tectonic Credibility of GNSS Velocities
PublicationThe paper concerns investigation of the credibility of tectonic interpretation of GNSS strain rates. The analysis was focused on stable regions, where the crustal deformations are small and the reliability of GNSS velocities is questionable. We are showing how the unreliable motion of stations affects calculated strains around them. We expressed distribution of local principal strains by a sinusoidal function and used them to investigate...
-
Sustainable Development of Water Housing Using the Example of Poland: An Analysis of Scenarios
PublicationAt the turn of the 20th and 21st centuries, Polish cities began the process of returning to live by water. There is a growing interest in water reservoirs not only as places for recreation, but also as new areas suitable for living, at the very center of the city. Unfortunately, due to the lack of appropriate legal regulations, the dynamic development of floating homes (FHs) is starting to raise increasing concerns in Poland. Regardless...
-
Multisource model of ship electric field
PublicationA steel-hulled ship in sea water produces an electric field around itself. The source of this field are electrochemical processes and ship's cathodic protection. The analysis of the electric field around the ship is important by the reason of the ship's identification and counter-mine protection. The paper presents a simplified model of the ship's multisource electric field, which allows to calculate the electric field distribution...
-
Revealing the Frank–Evans “Iceberg” Structures within the Solvation Layer around Hydrophobic Solutes
PublicationUsing computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250−298 K. By analyzing both the local ordering of the molecules of water in the solvation layers and the structure of hydrogen bond network, it is shown that in the solvation layer of hydrophobic molecules, ordered...
-
Linking optical and electronic properties to photoresponse of heterojunctions based on titania nanotubes and chromium, molybdenum, and tungsten oxides
PublicationThe development of photosensitization strategies for titanium dioxide is necessary for the enhancement of its optical and electronic properties towards its application potential in solar photoelectrochemistry. In this work, significant differences in the photosensitizing capability of the 6th group transition metal oxides applied on the surface of titania nanotubes are reported. For the first time, correlations between the experimentally...
-
Analysis of degaussing process of ferromagnetic objects
PublicationResults of the analytical and numerical analysis of the degaussing process phenomena of ferromagnetic objects were presented in this paper. The screening effectiveness of the electromagnetic field of magnetic screens in most cases depends on thickness, conductivity, magnetic permeability of the screen and angular frequency of degaussing currents. The magnetic field inside thin-layer ferromagnetic object was presented in this paper....
-
Global Complex Roots and Poles Finding Algorithm Based on Phase Analysis for Propagation and Radiation Problems
PublicationA flexible and effective algorithm for complex roots and poles finding is presented. A wide class of analytic functions can be analyzed, and any arbitrarily shaped search region can be considered. The method is very simple and intuitive. It is based on sampling a function at the nodes of a regular mesh, and on the analysis of the function phase. As a result, a set of candidate regions is created and then the roots/poles are verified...
-
Influence of lightweight structures used in swimming pools and water parks objects on their functionality, building form and spatial-visual effects indoors.
PublicationSpeaking about architecture of swimming facilities and water parks we have in mind their form, function , design and detail, texture and color. A particularly important element of the architecture of these buildings was and still is the structure.
-
Continuum contact model for friction between graphene sheets that accounts for surface anisotropy and curvature
PublicationUnderstanding the interaction mechanics between graphene layers and co-axial carbon nanotubes (CNTs) is essential for modeling graphene and CNT-based nanoelectromechanical systems. This work proposes a new continuum contact model to study interlayer interactions between curved graphene sheets. The continuum model is calibrated and validated using molecular dynamics (MD) simulations. These are carried out employing the reactive...
-
The structurally similar TRFH domain of TRF1 and TRF2 dimers shows distinct behaviour towards TIN2
PublicationThe telomere repeat binding-factor 1 and 2 (TRF1 and TRF2) proteins of the shelterin complex bind to duplex telomeric DNA as homodimers, and the homodimerization is mediated by their TRFH (TRF-homology) domains. We performed molecular dynamic (MD) simulations of the dimer forms of TRF1TRFH and TRF2TRFH in the presence/absence of the TIN2TBM (TIN2, TRF-interacting nuclear protein 2, TBM, TRF-binding motif) peptide. The MD results...
-
Electron impact fragmentation of pyrrole molecules studied by fluorescence emission spectroscopy
PublicationThe fluorescence emission spectroscopy using electron impact excitation technique was employed to study fragmentation processes of the gas phase pyrrole molecules. The following excited fragmentation species were observed by detection of their fluorescence decay: the atomic hydrogen H(n), n = 4-7 and the diatomic CH(A2Δ), CN(B2Σ+), NH(A3Π) and C2(d3Πg) fragments. These atomic and molecular products differ from those previously...
-
Prediction of cast-in-place concrete strength of the extradosed bridge deck based on temperature monitoring and numerical simulations
PublicationThe 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....
-
Interactions in Ternary Aqueous Solutions of NMA and Osmolytes—PARAFAC Decomposition of FTIR Spectra Series
PublicationIntermolecular interactions in aqueous solutions are crucial for virtually all processes in living cells. ATR-FTIR spectroscopy is a technique that allows changes caused by many types of such interactions to be registered; however, binary solutions are sometimes difficult to solve in these terms, while ternary solutions are even more difficult. Here, we present a method of data pretreatment that facilitates the use of the Parallel...
-
Estimating the uncertainty of discharge coefficient predicted for oblique side weir using Monte Carlo method
PublicationSide weir is a hydraulic structure, which is used in irrigation systems to divert some water from main to side channel. It is installed at the entrance of the side channel to control and measure passing water into the side channel. Many studies provided side weir water surface profile and coefficient of discharge to measure water discharge diverted into the side channel. These studies dealt with different side weir shapes (rectangular,...
-
Parameters’ Identification of Perzyna and Chaboche Viscoplastic Models for Aluminum Alloy at Temperature of 120◦C
PublicationThe main purpose of this paper is the parameters identification of the Perzyna and the Chaboche models for the aluminum alloy at elevated temperature. The additional purpose is comparison of the results for these viscoplastic models. The results have been verified by the numerical simulation of the laboratory tests. The material parameters have been calculated on the basis of the uniaxial tension test. The determination of the...
-
Arch bridges under test loadings
PublicationThis paper illustrates experience in arch bridges test loadings of the research team of Department of Structural Mechanics and Bridge Structures from the Gdansk University of Technology. The presented calculations results constist the analysis of spatial construction schemes made using the finite elements method (FEM) and its comparison to the field studies. Arch bridges with the longest spans, visualisation of the computational...
-
A fast time-frequency multi-window analysis using a tuning directional kernel
PublicationIn this paper, a novel approach for time-frequency analysis and detection, based on the chirplet transform and dedicated to non-stationary as well as multi-component signals, is presented. Its main purpose is the estimation of spectral energy, instantaneous frequency (IF), spectral delay (SD), and chirp rate (CR) with a high time-frequency resolution (separation ability) achieved by adaptive fitting of the transform kernel. We...
-
Micellar Route of the Synthesis of Alkyl Xylosides: An Unexpected Effect of Amphiphilic Imidazolium Ionic Liquids
PublicationThis manuscript presents results from the investigation on the synthesis of alkyl xylosides by the novel, very efficient and promising protocol of the Fischer synthesis from unprotected xylose and aliphatic alcohol. The use of 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids as the catalysts with dual functionality (surfactant + acid catalyst) and micellar reaction system are the main novelty of described method. It has...
-
Anisotropic mechanical behavior and auxeticity of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe investigate the mechanical properties of penta-graphene (PG), a recently proposed two-dimensional carbon allotrope using atomistic simulation techniques combined with the empirical description of interatomic interactions. We report on the dependence of its three in-plane mechanical moduli (i.e. Young's modulus, Poisson's ratio and shear modulus) on the deformation direction, strain and temperature. We show that PG displays a...
-
Free volume in physical absorption of carbon dioxide in ionic liquids: Molecular dynamics supported modeling
PublicationUnderstanding the mechanisms underlying the carbon dioxide (CO2) absorption in ionic liquids (ILs) is the key to their efficient utilization in industrial flue gas treatment. One of the parameters considered substantially important in the process is the Free Volume. In this study, the Fractional Free Volume (FFV) of 73 ILs was calculated using Molecular Dynamics (MD). A quantitative Structure-Property Relationship (QSPR) study...
-
Rola nowego tramwaju wodnego w Gdańsku
PublicationStreszczenie Tramwaj wodny – środek miejskiej komunikacji zbiorowej czy jednostka przewozów turystyczny? Identyfikacja, zestawienie i analiza czynników transportu nowopowstałej usługi przewozowej z komunikacją miejską i przewozem turystycznym tj. :cennik biletów, sposobu dystrybucji biletów, czasu przejazdu dostępności, przebieg trasy i częstotliwości kursowania. Wskazanie funkcji przewozowej tramwaju wodnego w Gdańsku.
-
Durability of Asphalt Concrete Subjected to Deteriorating Effects of Water and Frost
PublicationThe paper presents testing of the detrimental effects of water and frost on asphalt pavements. It included laboratory testing of 5 fatigue life of asphalt concrete that was subjected to action of water and frost and field testing of damages caused by water and frost on 6 existing asphalt pavements, such as stripping, raveling, and potholes. Laboratory simulation of water and frost action was based on the 7 original AASHTO T283...
-
Hybrid Technique for the EM Scattering Analysis with the Use of Ring Domain Decomposition
PublicationA hybrid technique combining finite-element and mode-matching methods for the analysis of scattering problems in open space is presented here. The main idea is based on impedance matrix descriptions of the boundary surrounding the discrete computational domain and combine it with external field described analytically. The discrete analysis, which is the most time- and memory-consuming, is limited here only to the close proximity...
-
Preliminary safety assessment of Polish interchanges
PublicationInterchanges are a key and the most complex element of a road infrastructure. The safety and functionality of interchanges determine the traffic conditions and safety of the entire road network. This applies particularly to motorways and express-ways, for which they are the only way to access and exchange traffic. A big problem in Poland is the lack of comprehensive tools for designers at individual stages of the design process....
-
Dietary antioxidants as a source of hydrogen peroxide
PublicationStudies of 54 antioxidants revealed that 27 of them, mainly polyphenols, generated hydrogen peroxide (H2O2) when added to Dulbecco’s modified Eagle’s medium (DMEM), other media used for culture of mammalian and yeast cells and phosphate-buffered saline. The most active antioxidants were: propyl gallate (PG), (−)-epigallocatechin gallate (EGCG) and quercetin (Q). Chelex treatment and iron chelators decreased H2O2 generation suggesting...
-
Verification of the new viscoelastic method of thermal stress calculation in asphalt layers of pavements
PublicationThe new viscoelastic method of thermal stress calculations in asphalt layers has been developed and published recently by the author. This paper presents verification of this method. The verification is based on the comparison of the results of calculations with results of testing of thermal stresses in Thermal Stress Restrained Specimen Test. The calculations of thermal stresses according to the new method were based on rheological...
-
Exact modal absorbing boundary condition for waveguide simulations - discrete Green's function approach
PublicationA modal absorbing boundary condition (ABC) based on the discrete Green's function (DGF) is introduced and applied for termination of waveguides simulated by means of the finite-difference time-domain (FDTD) method. The differences between the developed approach and implementations already demonstrated in the literature are presented. By applying DGF, a consistent theoretical approach to modal ABC in the FDTD method is obtained....
-
Stateczność i niezawodność pełnomorskich platform wiertniczych
PublicationW pracy przedstawiono wieloletnie doświadczenia Autora w zakresie wybranych aspektów numerycznej analizy pełnomorskich platform wiertniczych, w szczególności stacjonarnych platform stalowych poddanych działaniu fal wiatrowych i wiatru. W opisie zachowania się platform uwzględniono współoddziaływanie trzech ośrodków: materiału konstrukcji, morskich fal wiatrowych i podłoża gruntowego. Przyjęcie do opisu stochastycznych właściwości...
-
Critical analysis of laboratory measurements and monitoring system of water-pipe network corrosion-case study.
PublicationCase study of corrosion failure of urban water supply system caused by environmental factors was presented. Nowadays corrosion monitoring of water distribution systems is an object of major concern. There is possibility of application broad range of techniques like gravimetric and electrochemical. Both kinds of techniques can be applied in laboratory and field conditions. In many cases researches limit the case analysis to measurements...
-
Comparative study of a combined heat and power plant retrofitted by CO2 capture during the combustion of syngas from sewage sludge gasification versus zero-emission combustion of hydrogen produced using renewables
PublicationWith ecological requirements aimed at limiting the production of CO2, it is necessary to produce all, or most of the energy from RES. During the transformation process, ecological and highly efficient combustion power plants will be needed. The classic cycle of combined heat and power (CCGT) with green improvements will continue to be one of the most suitable technologies for this task. This article presents the modernization of...
-
HYDROACOUSTIC NOISE MEASUREMENTS
PublicationThe paper deals mainly with investigation of underwater noise that propagation is in shallow water. In this paper has been presented the experimental investigation results concerning the distribution of the sound field pressure generated by moving ships in the shallow water at the small distance from the ship. The main acoustical characteristics describing features of the field are spectrograms in pseudo 3D system – distance and frequency...
-
Checkpointing of Parallel MPI Applications using MPI One-sided API with Support for Byte-addressable Non-volatile RAM
PublicationThe increasing size of computational clusters results in an increasing probability of failures, which in turn requires application checkpointing in order to survive those failures. Traditional checkpointing requires data to be copied from application memory into persistent storage medium, which increases application execution time as it is usually done in a separate step. In this paper we propose to use emerging byte-addressable...
-
Application of atmospheric pressure microwave plasma source for hydrogen production from ethanol
PublicationIn contrast to conventional technologies of hydrogen production like water electrolysis or coal gasification we propose a method based on the atmospheric pressure microwave plasma. In this paper we present results of the experimental investigations of the hydrogen production from ethanol in the atmospheric pressure plasma generated in waveguidesupplied cylindrical type nozzleless microwave (915 MHz and 2.45 GHz) plasma source (MPS)....
-
Corrosion and Cavitation Resistances of Low Alloy Steel After Frictional-Mechanical Treatment
PublicationPaper presents the results of the studies of wear, corrosion and cavitation resistances of the S355J2 low alloy medium carbon steel subjected to surface modification by friction-mechanical treatment, as tested in sea water simulated solution. To evaluate the effect of the surface treatment, the comparative studies of the corrosive properties of the steel before and after treatment have been considered. The treatment due to a severe...
-
Mechanical properties for preliminary design of structures made from PVC coated fabric
PublicationIn this paper, laboratory tests necessary for the identification of non-linear elastic immediate properties of the PVC coated polyester fabric (like AF 9032) are described. The material parameters are specified on the basis of the uniaxial tensile tests in the warp and weft directions as well as on the base of the biaxial tensile tests. For the identification process techniques based on the least squares method are used. The authors...
-
Assessment of unusual failure in crankshaft of heavy-duty truck engine
PublicationThe unusual premature failure of a heavy-duty truck engine crankshaft has been the subject of a rigorous study, and this manuscript describes it in detail. The failure was happened to begin with the growth of the crack from the surface defects, in the form of the clusters of non-metallic inclusions, in the lubrication hole zone of the first main journal, which was the stress concentration zone. A series of experiments including...