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Search results for: dynamics of metal structures
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Preparation of Well-Compatibilized PP/PC Blends and Foams Thereof
PublicationThe performance of polypropylene-poly(ethylene brassylate) block and graft copolymers and a polypropylene-polycaprolactone graft copolymer as compatibilizers for polypropylene-rich polypropylene/bisphenol A polycarbonate (PP/PC, 80/20 wt/wt) blends was elucidated. The copolymers were synthesized either by metal-catalyzed ring-opening polymerization or transesterification of a presynthesized polyester, initiated by hydroxyl-functionalized...
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Hierarchia czynników wpływu w diagnostyce komponentów stalowych metodą statycznego pola rozproszonego
PublicationWśród technik badań nieniszczących obiektów stalowych (NDT) szczególną rolę pełnią techniki elektromagnetyczne, jako relatywnie tanie, czyste, szybkie i adaptowalne. Mają one jednak istotne ograniczenia, o których wydają się zapominać praktycy promujący tzw. metodę magnetycznej pamięci metali (ang. magnetic metal memory, MMM). Szczególnie dyskusyjna jest postulowana przez nich możliwość ilościowej korelacji charakterystyk pola...
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Influence of silver-core gold-shell nanoparticle parameters on the variation of surface-enhanced Raman spectra
PublicationThe detection of molecules by surface-enhanced Raman spectroscopy (SERS) is dependent on the nanomaterial used to induce the enhancement effect. This depends on a variety of parameters of the substrate such as the metal used for their creation, their shape, size and size distribution, concentration, as well as the parameters of the solution, such as packing of the nanoparticles, the complexity of the sample, the solvent, etc. It...
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Effect of Cr and Mn doping on ferroelectric and dielectric properties of Li1.72Na0.28Ge4O9 single crystals
PublicationLi1.72Na0.28Ge4O9 single crystals pure and slightly doped with chromium and manganese, obtained by Czochralski growth, were investigated for their ferroelectric and dielectric properties. The change in stoichometry of Li2− x Na x Ge4O9 (x = 0.28) crystals doped with Cr and Mn (0.1 mol.%) had an influence on the value of ferroelectric-to-paraelectric phase transition temperature, T c. The applied doping affects the T c value by...
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Nanoporous TiO2 electrode grown by laser ablation of titanium in air at atmospheric pressure and room temperature
PublicationRecently, fabrication of the nanoporous TiO2 photoelectrode on metal foils by means of sputtering of the Ti film on preheatedmetal substrate followed by the TiO2 deposition (doctor blade technique) and sintering represents the frequently applied technique. This is despite the relatively complicated procedure and number of parameters to be controlled in order to fabricate films of required properties. In this work an approach is...
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Determination of Selected Metals in Fruit Wines by Spectroscopic Techniques
PublicationThe determination of metals in different types of food and beverages samples has drawn significant attention due to several reasons with the most important one being the nutritional and toxic effects of these elements or their compounds. The knowledge of certain elements content in wines/fruit wines is of special interest due to their toxicity in case of excessive intake and also the effect they seem to have on the organoleptic...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublicationThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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Homogeneity study of candidate reference material (contaminated soil) based on determination of selected metals, PCBs and PAHs
PublicationReference materials (RMs) are an indispensable part of QA/QC system and have played a critical role in the continual expansion of analytical capabilities of the analytical laboratories. The homogeneity study of the candidate for reference material is essential for the quality of reference material (certified reference material) used in quality assurance activities. The homogeneity study of candidate for reference materials of contaminated...
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Change in Heavy Metals Concentrations in Sediments Deposited in Retention Tanks in a Stream after a Flood
PublicationOur paper presents the results of heavy metal (HM) (Zn, Cu, Pb, Cd) content in bottom sediments from retention tanks along Oliwa Stream in Gdańsk, Poland, before a flood (BF) and after a flood (AF) 14-15 July 2016. The flood had a huge impact on the quality of bottom sediments and their displacement. The concentrations of HM differed significantly for research series conducted 3 months BF and 8 months AF. The concentration of Cu...
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From phosphanylphosphaalkenes to coordination copper and silver polymers containing P–P bonds
PublicationThis study was focused on the activation of the C[double bond, length as m-dash]P bond via reactions of Ph2C[double bond, length as m-dash]P-PtBu2 (1) with 1,6-hexanediol and selected dithiols (1,4-butanedithiol, 1,4-benzenedithiol and 1,4-benzenedimethanethiol). These reactions proceed according to a 1,2-addition mechanism, providing new compounds with formulas {(Ph)2(H)C-P-PtBu2}{μ2-(O-(CH2)6-O)}{tBu2P-P-C(H)(Ph)2} (2), {(Ph)2(H)C-P-PtBu2}{μ2-(S-(CH2)4-S)}{tBu2P-P-C(H)(Ph)2}...
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Endohedral gallide cluster superconductors and superconductivity in ReGa5
PublicationWe present transition metal-embedded (T@Gan) endohedral Ga clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2 Ga9 are all previously known superconductors. The well-known exotic superconductor...
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Family Tree for Aqueous Organic Redox Couples for Redox Flow Battery Electrolytes: A Conceptual Review
PublicationRedox flow batteries (RFBs) are an increasingly attractive option for renewable energy storage, thus providing flexibility for the supply of electrical energy. In recent years, research in this type of battery storage has been shifted from metal-ion based electrolytes to soluble organic redox-active compounds. Aqueous-based organic electrolytes are considered as more promising electrolytes to achieve “green”, safe, and low-cost...
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Electrochemical synthesis of 2D copper coordination-polymers: Layer-stacking deviation induced by the solvent and its effect on the adsorptive properties
PublicationA 2D Cu-based Metal-Organic Framework (MOF), namely copper-terephthalate (Cu(1,4-BDC)), was successfully synthesized by electrochemical method for effective methylene blue (MB) sorption from aqueous solutions. The composition, morphology, and the presence of functional groups in the obtained material were verified by Fourier Transform Infrared spectroscopy (FTIR), Powder X-Ray Diffraction (PXRD), Thermal (TGA), and Elemental (EA)...
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A Cross-Polarisation Discrimination Analysis of Off-Body Channels in Passenger Ferryboat Environments
PublicationThere is a need for investigating radio channels for Body Area Networks considering the depolarisation phenomenon and new types of environments, since these aspects are becoming very important for systems design and deployment. This paper presents an analysis of cross-polarisation discrimination for off-body channels based on a measurement campaign performed in a passenger ferryboat, i.e., where all walls, floors and ceilings are...
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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...
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Cluster organization as a form of non-technological innovation
PublicationThe paper aims to investigate the relationships that cluster enterprises develop with their environment through participation in cluster organization (CO). The authors report the findings from a qualitative study carried out in the Lubusz Metal Cluster. The main research strategy is case study. An in-depth individual interview was used to collect the data, and qualitative content analysis and coding for its analysis. The study...
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Ribes nigrum L. Extract-Mediated Green Synthesis and Antibacterial Action Mechanisms of Silver Nanoparticles
PublicationSilver nanoparticles (Ag NPs) represent one of the most widely employed metal-based engineered nanomaterials with a broad range of applications in different areas of science. Plant extracts (PEs) serve as green reducing and coating agents and can be exploited for the generation of Ag NPs. In this study, the phytochemical composition of ethanolic extract of black currant (Ribes nigrum) leaves was determined. The main components...
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublicationWe investigate the experimentally challenging CrCl3 surface by photon energy dependent photoemission (PE). The core and valence electrons after cleavage of a single crystal, either in a ultrahigh vacuum (UHV) or in air, are studied by keeping the samples at 150 1C, aiming at confirming the atomic composition with respect to the expected bulk atomic structure. A common spectroscopic denominator revealed by data is the presence of...
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Assessment of the Accuracy of Determining the Angular Position of the Unmanned Bathymetric Surveying Vehicle Based on the Sea Horizon Image
PublicationThe paper presents the results of research on assessing the accuracy of angular position measurement relative to the sea horizon using a camera mounted on an unmanned bathymetric surveying vehicle of the Unmanned Surface Vehicle (USV) or Unmanned Aerial Vehicle (UAV) type. The first part of the article presents the essence of the problem. The rules of taking the angular position of the vehicle into account in bathymetric surveys...
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The Revitalization Processes of the Port Structures in Gdynia and Gdansk on the Background of Contemporary Port Changes
PublicationTransformations of the port facilities against the modernization of the port structures are present in many city-port centers since more than 50 years. The modernization taking place in the ports located in Gdynia-Gdansk mainly concerns communication availability and adapted to the multimodal technology of transport and transshipment. Developing specialized tech-terminals serving a specific type of load, causes development of the...
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High-Efficacy Global Optimization of Antenna Structures by Means of Simplex-Based Predictors
PublicationDesign of modern antenna systems has become highly dependent on computational tools, especially full-wave electromagnetic (EM) simulation models. EM analysis is capable of yielding accurate representation of antenna characteristics at the expense of considerable evaluation time. Consequently, execution of simulation-driven design procedures (optimization, statistical analysis, multi-criterial design) is severely hindered by the...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublicationEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Encapsulation of an anticancer drug Isatin inside a host nano-vehicle SWCNT: a molecular dynamics simulation
PublicationThe use of carbon nanotubes as anticancer drug delivery cargo systems is a promising modality as they are able to perforate cellular membranes and transport the carried therapeutic molecules into the cellular components. Our work describes the encapsulation process of a common anticancer drug, Isatin (1H-indole-2,3-dione) as a guest molecule, in a capped single-walled carbon nanotube (SWCNT) host with chirality of (10,10). The...
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Influence of pitting corrosion on fatigue and corrosion fatigue of ship structures. Part I: pitting corrosion of ship structures.
PublicationThe paper is a literature survey focused on pitting corrosion and its influence on fatigue of ship and offshore steels. Mechanisms of short- and long-term pitting corrosion in marine environment have been described including pit nucleation and growth phases. Some models of pit growth versus time of exposure have been presented. Some factors which influence the pit growth have been discussed briefly.
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Performance-driven yield optimization of high-frequency structures by kriging surrogates
PublicationUncertainty quantification is an important aspect of engineering design, as manufacturing toler-ances may affect the characteristics of the structure. Therefore, quantification of these effects is in-dispensable for adequate assessment of the design quality. Toward this end, statistical analysis is performed, for reliability reasons, using full-wave electromagnetic (EM) simulations. Still, the computational expenditures associated...
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublicationSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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Mathematical Modelling of a Seismic Isolation System to Protect Structures During Damaging Earthquakes
PublicationThe present study aims to determine the effectiveness of a nonlinear mathematical model in simulating complex mechanical behaviour of a seismic isolation system to protect structures during strong and damaging earthquakes. In order to construct the Polymeric Bearings considered in this research, a specially prepared flexible polyurethane elastomer with increased damping properties has been used. The usefulness of the proposed mathematical...
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Accuracy improvement of the prestressed concrete structures precise geometry assessment by use of bubble micro-sampling algorithm
PublicationPrestressed concrete structures are well-known technology for a vast period, but nevertheless, this very technology is a leading solution, currently used in construction industry. Prestressed concrete structures have a huge advantage over conventional methods because it uses the properties of concrete in a very efficient way. The main idea behind this technology is to introduce into the cross-section of the structure, the internal...
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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublicationIn this paper we report the improvements and extensions of the UNRES server (https://unres-server.chem.ug.edu.pl) for physics-based simulations with the coarse-grained UNRES model of polypeptide chains. The improvements include the replacement of the old code with the recently optimized one and adding the recent scale-consistent variant of the UNRES force field, which performs better in the modeling of proteins with the β and the...
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Molecular dynamics simulations of the affinity of chitin and chitosan for collagen: the effect of pH and the presence of sodium and calcium cations
PublicationChitosan and chitin are promising biopolymers used in many areas including biomedical applications, such as tissue engineering and viscosupplementation. Chitosan shares similar properties with hyaluronan, a natural component of synovial fluid, making it a good candidate for joint disease treatment. The structural and energetic consequences of intermolecular interactions are crucial for understanding the biolubrication phenomenon...
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Optimization of hydrodynamic vortex separator for removal of sand particles from storm water by computational fluid dynamics
PublicationStorm water treatment has been gradually acknowledged for the removal of pollutants from urban areas using the hydro cyclone separation technique. The separation efficiency of the hydrodynamic vortex separator (HDVS) is a complex phenomenon. With the aim enhance the separation potency of HDVS for storm runoff to get rid of sand particles, the HDVS with different structural configurations was studied by computational fluid dynamics....
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Computational fluid dynamics simulation of heat transfer from densely packed gold nanoparticles to isotropic media
PublicationThis work aims to determine and compare heat generation and propagation of densely packed gold nanoparticles (Au NPs) induced by a resonant laser beam (532 nm) according to the Mie theory. The heat flux propagation is transferred into the materials, which here are: silica glass; soda-lime-silica glass; borosilicate glass; polymethyl methacrylate (PMMA); polycarbonate (PC); and polydimetylosiloxane (PDMS). This analysis aims to...
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EM-Driven Multi-Objective Optimization of Antenna Structures in Multi-Dimensional Design Spaces
PublicationFeasible multi-objective optimization of antenna structures is presented. An initial set of Pareto optimal solutions is found using a multi-objective evolutionary algorithm (MOEA) working with a fast surrogate antenna model obtained by kriging interpolation of coarse-discretization EM simulation data. To make the surrogate construction computationally feasible in multi-dimensional design space, the space subset containing non-dominated...
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Simplified Map-based Selection of Optimal Spindle Speeds When Milling Complex Structures
PublicationIn the paper a method for selecting optimal spindle speeds for complex structures during milling operations is presented. It is based on the selection of the spindle speed in accordance with a simple equation resulting from the minimisation of vibration energy, which leads to the minimisation of the work of cut-ting forces presented in previous elaborations by the authors [1]. Optimal spindle speeds are obtained for many points...
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Identification of 1H‐indene‐(1, 3, 5, 6)‐tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach
PublicationPancreatic lipase is a potential therapeutic target to treat diet-induced obesity in humans, as obesity-related diseases continue to be a global problem. Despite intensive research on finding potential inhibitors, very few compounds have been introduced to clinical studies. In this work, new chemical scaffold 1H-indene-(1,3,5,6)-tetrol was proposed using knowledge-based approach, and 36 inhibitors were derived by modifying its...
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Fragility analysis of structural pounding between adjacent structures arranged in series with various alignment configurations under near‑field earthquakes
PublicationA major cause of local to total damages is related to structural pounding in a large number of past earthquakes. In general, these collisions take place as a result of differences in the dynamic characteristics of the colliding structures. To acquire a better perception of the behavior of structures, in this paper, three structures featuring different heights are modeled in series and with various configurations next to each other...
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Sub-national structures matter when evaluating physical activity promotion: Lessons from Germany
PublicationBackground Public policies are increasingly acknowledged as important part of promoting physical activity (PA). However, especially in states with sub-national administrative structures such as Germany, national and sub-national approaches differ considerably. In Germany, sport for all (SfA) promotion is mostly organized at sub-national level, which is usually not covered in national evaluations. Knowledge of these structures helps...
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Fast multi-objective design optimization of microwave and antenna structures using data-driven surrogates and domain segmentation
PublicationPurpose Strategies and algorithms for expedited design optimization of microwave and antenna structures in multi-objective setup are investigated. Design/methodology/approach Formulation of the multi-objective design problem oriented towards execution of the population-based metaheuristic algorithm within the segmented search space is investigated. Described algorithmic framework exploit variable fidelity modeling, physics- and...
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Improved selectivity compact band-stop filter with gosper fractal-shaped defected ground structures
PublicationA novel band-stop filter using Gosper fractal-shaped defected ground structures has been designed and manufactured. The improvement in the filter selectivity has been achieved by introducing a multiresonance fractal-shaped defect leading to a higher filter order, simultaneously maintaining its compact size. The experimental results prove the validity of proposed solution and its utility in novel miniaturized and severe requirement...
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Non-Linear Analysis of Structures Utilizing Load-Discretization of Stiffness Matrix Method with Coordinate Update
PublicationThis paper proposes a stiffness method based structural analysis algorithm for geometrically non-linear structures. In this study, the applied load on the joints has been discretized to a sequence of a few loadings applied. Each loading step produces incremental external nodal displacements, which are added to the corresponding coordinates to get a new geometrical shape of the structure. This process is iteratively repeated until...
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Image-based numerical modeling of the tensile deformation behavior and mechanical properties of additive manufactured Ti–6Al–4V diamond lattice structures
PublicationThis work concerns the numerical modeling of the deformation process and mechanical properties of structures obtained by the additive method laser power bed fusion (LPBF). The investigation uses diamond structures of Ti–6Al–4V titanium implantation alloy with various relative densities. To model the process of tensile deformation of the materials, geometric models were used, mapping the realistic shape of the examined structures....
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On Improved-Reliability Design Optimization of High-Frequency Structures Using Local Search Algorithms
PublicationThe role of numerical optimization has been continuously growing in the design of high-frequency structures, including microwave and antenna components. At the same time, accurate evaluation of electrical characteristics necessitates full-wave electromagnetic (EM) analysis, which is CPU intensive, especially for complex systems. As rigorous optimization routines involve repetitive EM simulations, the associated cost may be significant....
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Investigating the Effects of Geometrical Parameters of Re-Entrant Cells of Aluminum 7075-T651 Auxetic Structures on Fatigue Life
PublicationIn this study, the effects of two geometrical parameters of the re-entrant auxetic cells, namely, internal cell angle (θ) and H/L ratio in which H is the cell height, and L is the cell length, have been studied on the variations of Poisson’s ratio and fatigue life of Aluminum 7075-T6 auxetic structures. Five different values of both the H/L ratio and angle θ were selected. Numerical simulations and fatigue life predictions have...
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Quality prediction of foil capacitors by acoustic emission signals
PublicationJakość i trwałość kondensatorów foliowych jest zależna od ich warunków pracy (np. nadmiarowego napięcia pracy, temperatury, wilgotności) oraz od potencjalnych defektów wprowadzonych na różnych etapach wytwarzania kondensatorów. Nieustanny nacisk na wzrost jakości wytwarzanych elementów przy jednoczesnej redukcji kosztów wytwarzania oznacza, że nowe, tanie i szybkie metody predykcji jakości tych elementów są mocno poszukiwane. W...
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Shaking table experimental study on the effectiveness of polymer bearings for seismic isolation of structures
PublicationSeismic isolation has been recognised to be a very effective way of protecting structures from damage during earthquakes. It allows us to extend the natural period of the structure and therefore avoid resonance with the ground motion. Moreover, by increasing damping in the isolation devices, more energy can be dissipated and thus the structural response can be further reduced. The aim of this paper is to show the results of the...
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Kriging metamodels and design re‐utilization for fast parameter tuning of antenna structures
PublicationThe paper addresses the problem of computationally efficient electromagnetic (EM)‐driven design closure of antenna structures. The foundations of the presented approach are fast kriging interpolation metamodels, utilized for two purposes: (a) producing a good starting point for further parameter tuning, and (b) yielding a reasonable Jacobian matrix estimate to jump‐start the optimization procedure. The models are rendered using...
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A higher order transversely deformable shell-type spectral finite element for dynamic analysis of isotropic structures
PublicationThis paper deals with certain aspects related to the dynamic behaviour of isotropic shell-like structures analysed by the use of a higher order transversely deformable shell-type spectral finite element newly formulated and the approach known as the Time-domain Spectral Finite Element Method (TD-SFEM). Although recently this spectral approach is reported in the literature as a very powerful numerical tool used to solve various...
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Rapid Yield Estimation and Optimization of Microwave Structures Exploiting Feature-Based Statistical Analysis
PublicationIn this paper, we propose a simple, yet reliable methodology to expediteyield estimation and optimization of microwave structures. In our approach,the analysis of the entire response of the structure at hand (e.g., $S$-parameters asa function of frequency) is replaced by response surface modeling of suitablyselected feature points. On the one hand, this is sufficient to determinewhether a design satisfies given performance specifications....
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Od złota do nanozłota w medycynie i farmacji.
PublicationZłoto to metal, który odegrał niebagatelną rolę w historii ludzkości oraz medycynie i farmacji. Od wieków był pożądanym metalem do wykonywania naczyń, czego przykładem jest słynny puchar Likurga. O właściwościach i zastosowaniach medycznych złota pisali lekarze Paracelsus, Antoine Lecoq i Frederic Hoffman, a także filozof Kartezjusz. Dopiero XX wiek przyniósł więcej zastosowań dla złota i jego związków, głównie z uwagi na rozwój...
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The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics
PublicationBacteriochlorophylls (BChls) c, d, and e are the main light-harvesting pigments of green photosynthetic bacteria that self-assemble into nanostructures within the chlorosomes forming the most efficient antennas of photosynthetic organisms. All previous models of the chlorosomal antennae, which are quite controversially discussed because no single crystals could be grown so far from these organelles, involve a strong hydrogen-bonding...