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Search results for: STRUKTURA NADCZĄSTECZKOWA
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Structural, thermal and photocatalytic properties of composite materials SiO2/TiO2/C
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Structural properties of hydration shell around various conformations of simple polypeptides
PublicationIn this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 310, and α. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation...
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Processing data on sea bottom structure obtained by means of the parametric sounding
PublicationThe aim of the paper is to analyze data obtain during sounding of the Gdansk Bay by means of the parametric sonar. The accuracy of the sea bottom structure investigation needs the correct configuration of research equipment and the proper calibration of peripheral devices (GPS, heading sensor, motion sensor MRU-Z and navigation units) which provide necessary data to bathymetrical measurement system enabling its work with whole...
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Linear viscoelastic modelling of damage-involved structural pounding during earthquakes
PublicationDamage-involved structural pounding during earthquakes has been recently intensively studied using different impact force models. The results of the previous studies indicate that the linear viscoelastic model is relatively simple yet accurate in modelling pounding-involved behaviour of structures during earthquakes. The only shortcoming of the model is a negative value of the pounding force occurring just before separation, which...
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Structure and wettability of heterogeneous monomolecular films of phospholipids with cholesterol or lauryl gallate
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Pincer Complexes Based on Phosphinoaminopyridines: Synthesis, Structural Characterization and Catalytic Applications
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Hybrid carbon-TiO2 spheres: Investigation of structure, morphology and spectroscopic studies
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Acetylcholinesterase inhibitors: structure-activity relationship and kinetic studies on selected flavonoids
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PbGa2GeS6 crystal as a novel nonlinear optical material: Band structure aspects
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Two-phase flow structure assessment based on dynamic image analysis
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FPGA Implementation of the Gradient Adaptive Lattice Filter Structure for Feature Extraction
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Plasmon and structure resonances in the scattering of light by a periodic chain of silver nanocylinders
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Thresholds of Lasing as Solutions of Characteristic Equation for a VCSEL-type Layered Structure
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems
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Hydrogen induced degradation of structural steel exposed to the technical liquid hydrocarbons
PublicationBadano degradacje stali 26H2MF w mieszaninach węglowodorów. Badania były prowadzone pod stałym obciążeniem i przy małej prędkości 10-6s-1
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Structural and electronic properties of some intriguing (rare-earth)Ba2Cu3O7 compounds.
PublicationW rozdziale przedstawiono przegląd wyników eksperymentalnych i teoretycznych dotyczących wybranych związków o wzorze (lantanowiec)Ba2Cu3O7 wykazujących całkowicie odmienne właściwości w porównaniu z całą klasą nadprzewodzących związków tlenkowych o stechiometrii 1:2:3. Szczególny nacisk położono na analizę procesu wzrostu kryształów i powstawania defektów punktowych determinujących późniejsze własności fizyczne tych materiałów....
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Influence of deformation velocity on mechanical properties of high strength structural steels.
PublicationW referacie przedstawiono wyniki badań własności mechanicznych stali wysokiej wytrzymałości przeznaczonych na spawane konstrukcje okrętowe w zależności od prędkości odkształcenia. Badania były prowadzone w Akademii Marynarki Wojennej oraz w Politechnice Gdańskiej przy współudziale Uniwersytetu Technicznego w Rostocku podczas opracowywania charakterystyk tych stali dla potrzeb polskiego przemysłu okrętowego. Uwzględnienie obciążeń...
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The structure of porous and spontaneously densified amorphous PbSiO3: a Molecular Dynamics study.
PublicationW pracy zaproponowano nową metodę numerycznego otrzymywania strukturporowatych metodą dynamiki molekularnej. Metoda polega na rozpoczęciu symulacji z ładunkami ekranowanymi i stopniowym zwiększaniu ich do pełnych ładunków jonowych. Metodę zastosowano do układu PbSiO3.
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Research on deformations of laser-welded joint of a steel sandwich structure model.
PublicationPrzedstawiono problemy związane z zachowaniem złącza laserowego pod obciążeniem zginającym. Pokazano wyniki badań laboratoryjnych dla określenia mechanizmu pracy złącza i przedyskutowano uzyskane rezultaty.
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A Molecular dynamics study of the influence of chemical reduction on the structure of amorphous germania
PublicationPraca poświęcona jest badaniom struktury blisko- i średniozasięgowej redukowanego amorficznego tlenku germanu o składzie 1Ge 1GeO2 za pomocą symulacji dynamiczno-molekularnych. Symulacje MD realizowano w zespole mikrokanonicznym (NVE), z wykorzystaniem dwuciałowego potencjału oddziaływania miedzyatomowego Borna-Mayera-Hugginsa. Wyraźnie widoczna tendencja do aglomeracji neutralnych atomów Ge została porównana z tendencją do aglomeracji...
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Blok wytwórczy w hierarchicznej strukturze sterowania U i Q.
PublicationIstotną rolę w procesie regulacji napięć w systemie elektroenergetycznym pełni generator synchroniczny. W referacie przedstawiono wymagania dla układów regulacji generatorów synchronicznych jako elementów hierarchicznej struktury sterowania U i Q.
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The structure of Pb-PbO-SiO2 glass via molecular dynamics simulation
PublicationPraca poświęcona jest badaniom struktury blisko i średniozasięgowej częściowo zredukowanego szkła ołowiowo-krzemianowego o stechiometrii 1Pb1PbO1SiO2 uzyskanego na drodze symulacji dynamiczno-molekularnych. Otrzymane rezultaty porównamy z danymi otrzymanymi dla szkła niemodyfikowanego (2PbO1SiO2) i całkowicie zredukowanego (2Pb1SiO2).
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Impact force spectrum for damage assessment of earthquake-induced structural pounding
PublicationCelem artykułu jest zastosowanie spektrum siły zderzenia do szacowania zniszczeń powstałych na skutek zderzeń pomiędzy konstrukcjami budowlanymi, do których dochodzi podczas trzęsień ziemi. Wyniki analizy wskazują, iż spektrum takie może być przydatnym narzędziem przy projektowaniu konstrukcji podatnych na zderzenia. Przykłady spektrów odpowiedzi pokazują, iż zapewnienie odpowiedniej przerwy dylatacyjnej lub zgranie parametrów...
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Hydrogen induced degradation of structural steel exposed to the technical liquid hydrocarbons
PublicationSusceptibility of the differently heat treated 26H2MF steel to stress corrosion cracking has been evaluated in the constant strain rate tension tests done at the strain rate 10-6s-1 and in the constant load tests done at the 0,98 of fracture load. The boiler fuel and the aged mineral oil at 135C and 80C respectively, have been used as the aggressive environments.
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Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
PublicationWe present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody–antigen complexes, and 7 large assemblies. On average 70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target. A total of 21 941 models submitted by these groups...
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A probabilistic-driven framework for enhanced corrosion estimation of ship structural components
PublicationThe work proposes a probabilistic-driven framework for enhanced corrosion estimation of ship structural components using Bayesian inference and limited measurement data. The new approach for modelling measurement uncertainty is proposed based on the results of previous corrosion tests that incorporate the non-uniform character of the corroded surface of structural components. The proposed framework's basic features are outlined,...
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Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity
PublicationPhosphinoborenium cations stabilized by N-heterocyclic carbenes (NHCs) were synthesized via the reaction of bromo(phosphino)boranes with NHCs. Their structures were investigated by heteronuclear magnetic resonance spectroscopy, X-ray diffraction, and density functional theory calculations. They possess a planar trigonal boron center directly bonded with the pyramidal phosphanyl group (PR2) and can be treated as cationic phosphinoboranes....
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Hydrazinolysis Products of Selected Sugar Lactones—Crystal Structure and Microbiological Activity
PublicationCommercially available lactones, as well as those synthesized by us, turned out to be good substrates for the synthesis of sugar hydrazides. The exception was L-ascorbic acid, whose hydrazinolysis led to the formation of a hydrazinium salt, not the hydrazide as expected. The structure of all compounds was confirmed by NMR and X-ray analyses. The lower durability of hydrazinium L-ascorbate was additionally confirmed by thermogravimetric...
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Synthesis and structural characterization of new cyclic siloxane with functionalized organic substituents
PublicationOcta(2-pyridyloxy)cyclotetrasiloxane was isolated as the product of the reaction between silicon disulfide and 2-hydroxypyridine. The new compound has been characterised by single crystal X-ray analysis, revealing a planar eight-membered ring with functionalized organic substituents on the silicon atoms.
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Structural properties of hypothetical CeBa2Cu3O7 compound from LSDA+DMFT calculations
PublicationThe hypothetical stoichiometric CeBa2Cu3O7 (Ce123) compound, which has not been synthesized as a single phase yet, was studied by the density functional theory (DFT). We utilized a method which merges the local spin density approximation (LSDA) with the dynamical mean-field theory (DMFT) to account for the electronic correlations. The LSDA+DMFT calculations were performed in the high-temperature range. The particular emphasis was...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublicationThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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Structural and Transportation Properties of Strontium Titanate Composites with Ion Conductive Oxides
PublicationThis paper has been written based on the author’s doctoral dissertation “Structural and transportation properties of strontium and titanate composites with ion conductive oxides”, prepared under the supervision of Prof. Dr. Hab. Eng. Bogusław Kusz at the Department of Solid State Physics of Gdańsk University of Technology. It reports the idea of the thesis and conclusions from the study. Niobium doped strontium titanate (Sr(Ti,Nb)O3)...
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Resonance Frequency Calculation of Spherical Microstrip Structure Using Hybrid Technique
PublicationIn this paper the spherical microstrip structure is considered. The structure is composed of a metallic patch with an arbitrary shape placed on a dielectric coated metallic sphere. In the analysis the hybrid technique is utilized. In this approach the finite-difference technique is applied in a cavity model to determine the current basis functions on the patch. Next, using method of moments, the resonance frequency of the structure...
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The influence of small intestinal mucus structure on particle transport ex vivo
PublicationMucus provides a barrier to bacteria and toxins while allowing nutrient absorption and waste transport. Unlike colonic mucus, small intestinal mucus structure is poorly understood. This study aimed to provide evidence for a continuous, structured mucus layer and assess the diffusion of different sized particles through it. Mucus structure was assessed by histology and immunohistochemistry. Ultra-structure was assessed by scanning...
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DESIGN AND STRENGTH CALCULATIONS OF THE TRIPOD SUPPORT STRUCTURE FOR OFFSHORE POWER PLANT
PublicationThe support structure being the object of the analysis presented in the article is Tripod. According to the adopted assumptions, it is a foundation gravitationally set in the water region of 60 m in depth, not fixed to the seabed, which can be used for installing a 7MW wind turbine. Due to the lack of substantial information on designing and strength calculations of such types of structures in the world literature, authors have...
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The geodetic monitoring of the engineering structure – a practical solution of the problem in 3D space
PublicationThe study raises the issues concerning the automatic system designed for the monitoring of movement of controlled points, located on the roof covering of the Forest Opera in Sopot. It presents the calculation algorithm proposed by authors. It takes into account the specific design and location of the test object. High forest stand makes it difficult to use distant reference points. Hence the reference points used to study the stability...
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On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions
PublicationThe coordination chemistry and the volumetric properties of three representative lanthanoid(III) ions lanthanum-(III), gadolinium(III), and lutetium(III) have been studied in three amide solvents with gradually increasing spatial demand upon coordination: N,N-dimethylformamide (dmf)
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Optymalizacja mikrofalowego generatora plazmy o strukturze współosiowej zasilanego falowodem
PublicationW niniejszym artykule przedstawiono wyniki optymalizacji transferu energii w mikrofalowym generatorze plazmy o strukturze współosiowej zasilanym falowodem WR 340. Do obliczeń posłużono się programem Comsol Multiphysics. Dla zwartego odcinka linii współosiowej o optymalnej długości 52 mm, minimalny stosunek mocy fali odbitej do mocy fali padającej mierzony w płaszczyźnie wejściowej prezentowanego generatora plazmy zmniejszył się...
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Reduction of vibrations of steel structure models with Polymeric Bearings - experimental study
PublicationEarthquake-induced ground motions are the most severe and unpredictable threats to the structures all around the world. Therefore, designing earthquake protective systems has become an extremely challenging problem in civil engineering. Base isolation is one of the most popular and widely adopted methods of protecting structures against earthquake forces. The present paper reports the results obtained from the shaking table experimental...
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Uncertainty Quantification in Experimental Structural Dynamics Identification of Composite Material Structures
PublicationComposite materials are widely used in manufacture of aerospace and wind energy structural components. These load carrying structures are subjected to dynamic time-varying loading conditions. Robust structural dynamics identification procedure impose tight constraints on the quality of modal models estimates obtained from vibration experiments. Modal testing results are influenced by numerous factors introducing uncertainty to...
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Verification of algorithms determining wave loads on support structure of wind turbine
PublicationThe offshore wind turbines require determination of wave loads on their support structure. This structure is fixed and, therefore, this problem is reduced to solving only the diffraction problem, which is determined by Laplace equation and conditions on the following boundaries: on the support structure, on the sea free surface and on its bottom, and at infinity on free surface. The linear problem was applied to determine the wave...
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Organizacja wymiaru sprawiedliwości w strukturze sieci publicznej - możliwe interakcje
PublicationW artykule przedstawiono strukturę organizacyjną wymiaru sprawiedliwości w celu udzielenia odpowiedzi na podstawowe pytanie o możliwe w niej relacje sieciowe oraz ich siłę i sposób oddziaływania. W ramach organizacji wymiaru sprawiedliwości zdefiniowano publiczne międzyorganizacyjne sieci sądowe. Dokonano ich podziału na regulacyjne sieci międzyorganizacyjne i dobrowolne sieci międzyorganizacyjne. Przedstawiono także korzyści i...
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A structure and simulation-driven design of compact CPW-fed UWB antenna
PublicationIn this letter, a structure of a miniaturized ultra-wideband CPW-fed antenna and its design proce-dure are presented. The antenna is a modified version of the design previously proposed in the literature, with additional degrees of freedom introduced in order to improve the structure flexibility. The small size is achieved by executing a rigorous optimization procedure that consists of two stages: (i) smart random search carried...
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Granulometric analysis to etimate influence of anionic surfactrant on activated sludge structure
PublicationThe work concerns the evaluation of the possibility of using laser diffraction analyzer to determine changes in the distribution of sludge floc size in the presence of anionic surfactant. As a model of surfactant linear alkylbenzyne sulphonate (LAS) was used. The granulometric analysis showed that the pure activated sludge was composed of particles with a size of 0,001 to 2 mm. The largest and fastest changes in the distribution...
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Subsoil degradation effect in reliability analysis of the jack-up platform structure
PublicationStructural reliability analysis is considered, by FORM and SORM applied to a certain idealized soil-platform structure interaction problem due to cyclic water wave and wind loads. Wave and wind loads are random variables, whereas dead load is deterministic. Load parameters are typical for storm conditions in the Baltic Sea. The soil-structure interaction is idealized as a set of linear translational and rotational springs. Due...
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Structure and properties of liquid Al–Cu alloys: Empirical potentials compared
PublicationWe report on the structure and mass transport properties of liquid Al–Cu alloys predicted by two recently-developed empirical many-body potentials: MEAM (Jelinek et al., 2012) and EAM-ADP (Apostol and Mishin, 2011), and by the well-known Gupta potential. Total and partial pair correlation functions, angular distribution functions, densities, coordination numbers and self-diffusion coefficients are compared with published experimental...
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Electronic structure of PrBa2Cu3O7 after high-pressure compressionfrom first principles
PublicationW pracy zbadano wpływ ściskania wysokociśnieniowego (P=9GPa) na elektronową strukturę pasmową, rozkład ładunku i momenty magnetyczne w pełni utlenionego stechiometrycznego układu PrBa2Cu3O7. Zaobserwowano następujące zmiany wywołane ściskaniem: (1) zmniejszoną gęstość stanów (DOS) na poziomie Fermiego Ef, (2) zwiększona różnicę pomiędzy wartościami DOS dla stanów "spin-up" i "spin-down" w najbliższym otoczeniu Ef, (3) zmniejszone...
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Molecular and structural characteristics of cod gelatin films modifiedwith EDC and TGase
PublicationCod gelatin films before and after cross-linking of gelatin with 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC) or transglutaminase (TGase) have been characterized by FT-IR spectroscopy and DSC analysis. For comparison, a film prepared from unmodified pig gelatin has been also analysed. The difference spectra showed that cod gelatin during the film formation involved first of all water-to-amide hydrogen bonds, and the film...
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems.
PublicationFluid–structure interaction technique seems to be one of the most promising possibilities for theoretical analysis of lubrication problems. It allows coupling of different physical fields in one computational task, taking into account the interaction between them. In this article, two sets of fluid–structure interaction analyses focusing on the bearing performance evaluation are presented. One analysis was applied to a water-lubricated...