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Search results for: xrd molecular structures
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Design and Preparation of Magnetically-Oriented Poly(styr-co-MMA)-3MPS Capped Fe(ZnO) Hybrid Microspheres for Ion Exchange Removal of Toxic Pollutants from Wastewater
PublicationIn this work, polymeric microspheres derived from polystyrene-co-methyl methacrylate embedded with magnetic ZnO nanoparticles (poly(styrene-co-MMA)-3MPS-Fe (ZnO)) were synthesized using the suspension polymerization method. The surfaces of polymeric Fe(ZnO) microspheres were improved by functionalization with amino and sulphonate groups. The physicochemical analysis indicated a large number of positively charged (anion exchange)...
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Enhancement of photocatalytic-based processes by mono- and bimetallic (CuPd) rutile loaded nanoparticles for antibiotic resistance genes and facultative pathogenic bacteria removal
PublicationThe aim of the study was the strong reduction of facultative pathogenic bacteria (FPB), and clinically relevant antibiotic resistance genes (ARGs) from secondary effluent. To evaluate the ARGs removal efficiency comparative study of individual unit processes and combined AOPs has been performed. The present work investigated: i) removal of selected ARGs, namely blaTEM, ermB, qnrS, tetM, five FPB as well as 16S rDNA and the integrase...
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Solar light driven degradation of norfloxacin using as-synthesized Bi 3+ and Fe 2+ co-doped ZnO with the addition of HSO 5 – : Toxicities and degradation pathways investigation
PublicationIn this study, solar light responsive Bi3+ and Fe2+ doped ZnO were synthesized and used for photocatalytic degradation of norfloxacin (NOR), an emerging water pollutant. Analysis with Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), selected area electron...
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Hydrothermal synthesis of vanadium ammonium compounds – the crucial role of the pressure
PublicationDue to the structural diversity and chemical activity, vanadium oxides and their derivatives are continuingly in the great interest of scientist. In a large family of vanadium compounds, one of the most interesting are ammonium vanadates (with the general formula (NH4)xVyOz). They have received much attention because of their promising application as cathode material in mono- and multivalent-ion batteries [1]. Hydrothermal synthesis...
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From structure to luminescence investigation of oxyfluoride transparent glasses and glass-ceramics doped with Eu3+/Dy3+ ions
PublicationGlasses and glass-ceramics with nominal composition 73 TeO2– 4BaO– 3Bi2O3–18SrF2-2RE2O3 (where RE = Eu, Dy) have been synthesized by conventional melt-quenching technique and subsequent heat treatment at 370 °C for 24 h in air atmosphere. Various Eu3+ to Dy3+ molar ratio have been applied to investigate luminescence properties in both glass and glass-ceramic matrices. Especially, white light emission through simultaneous excitation...
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Mono- and bimetallic (Pt/Cu) titanium(IV) oxide core–shell photocatalysts with UV/Vis light activity and magnetic separability
PublicationTitanium(IV) oxide is one of the most widely investigated photocatalysts. However, separation of nano-sized particulate titania might result in profitless technologies for commercial applications. Additionally, bare titania is almost inactive under the Vis range of solar spectrum due to its wide bandgap. Therefore, the present study aims to prepare novel coreinterlayer- shell TiO2 magnetic photocatalysts modified with metal nanoparticles...
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Study of the Effectiveness of Model Order Reduction Algorithms in the Finite Element Method Analysis of Multi-port Microwave Structures
PublicationThe purpose of this paper is to investigate the effectiveness of model order reduction algorithms in finite element method analysis of multi-port microwave structures. Consideration is given to state of the art algorithms, i.e. compact reduced-basis method (CRBM), second-order Arnoldi method for passive-order reduction (SAPOR), reduced-basis methods (RBM) and subspace-splitting moment-matching MOR (SSMM-MOR)
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Destruction of shell structures under the dynamic load on the human skull trauma basis
PublicationThe main aim of this work is to investigate patterns of potential orbital bone fractures due to mechanical injuries. The solution of the main problem is followed by analysis of several testing examples having straight correlation with civil engineering structures, in which materials of wide range of stiffness are applied. To solve the main problem, the three-dimensional finite element method (FEM) model of the orbital region has...
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Functional Bi2O3/Gd2O3 Silica-Coated Structures for Improvement of Early Age and Radiation Shielding Performance of Cement Pastes
PublicationThis study presents a new approach towards the production of sol-gel silica-coated Bi2O3/Gd2O3 cement additives towards the improvement of early mechanical performance and radiation attenuation. Two types of silica coatings, which varied in synthesis method and morphology, were used to coat Bi2O3/Gd2O3 structures and evaluated...
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Low-cost EM-Simulation-based Multi-objective Design Optimization of Miniaturized Microwave Structures
PublicationIn this work, a simple yet reliable technique for fast multi-objective design optimization of miniaturized microwave structures is discussed. The proposed methodology is based on point-by-point identification of a Pareto-optimal set of designs representing the best possible trade-offs between conflicting objectives such as electrical performance parameters as well as the size of the structure of interest. For the sake of computational...
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Virulence, antifungal susceptibility and molecular mechanisms of echinocandin resistance among Candida isolates recovered from clinical specimens
PublicationFungi of the genus Candida belong to the natural microflora of healthy individuals. However, they can also be a cause of opportunistic infections especially among patients with an impaired immune system. The first line therapy of Candida infections is based on triazoles. However, in recent years there an increase of azole resistant Candida spp., in particular C. glabrata and C. krusei, has been observed. For this reason, echinocandin...
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Towards More Realistic Probabilistic Models for Data Structures: The External Path Length in Tries under the Markov Model
PublicationTries are among the most versatile and widely used data structures on words. They are pertinent to the (internal) structure of (stored) words and several splitting procedures used in diverse contexts ranging from document taxonomy to IP addresses lookup, from data compression (i.e., Lempel- Ziv'77 scheme) to dynamic hashing, from partial-match queries to speech recognition, from leader election algorithms to distributed hashing...
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Molecular basis of the low activity of antitumor anthracenediones, mitoxantrone and ametantrone, in oxygen radical generation catalyzed by NADH dehydrogenase. Enzymatic and molecular modelling studies
PublicationSyntetyczne antracenodionowe leki przeciwnowotworowe, w przeciwieństwie do antybiotyków antracyklinowych, charakteryzują się słabym wytwarzaniem wolnych rodników w układach z dehydrogenazą NADH. Wyniki prezentowane w artykule wskazują, że ani potencjał redukcyjny, ani konformacja łańcuchów bocznych, ani energie orbitali granicznych (LUMO i HOMO) nie determinują zdolności antracenedionów do stymulacji wytwarzania reaktywnych form...
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Syntheses, Structures and Reactivity of Terminal Phosphido Complexes of Iron(II) Supported by a β-Diketiminato Ligand
PublicationWe report the synthesis of the first series of terminal phosphido iron complexes supported by a β‐diketiminato ligand (Dippnacnac) and their catalytic activity in dehydrocoupling of secondary phosphines. Anionic and neutral mono‐ or diphosphido complexes were obtained from the reaction of [(Dippnacnac)FeCl2Li(dme)2] with the R2PLi (R = iPr, tBu, Cy, Ph) phosphides by tuning the stoichiometric ratio, polarity of the solvent, and...
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An MOR Algorithm Based on the Immittance Zero and Pole Eigenvectors for Fast FEM Simulations of Two-Port Microwave Structures
PublicationThe aim of this article is to present a novel model-order reduction (MOR) algorithm for fast finite-element frequency-domain simulations of microwave two-port structures. The projection basis used to construct the reduced-order model (ROM) comprises two sets: singular vectors and regular vectors. The first set is composed of the eigenvectors associated with the poles of the finite-element method (FEM) state-space system, while...
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Development of novel optoelectronic sensory structures utilising colour centres in nanodiamonds and their interactions with analytes
PublicationThe goal of this dissertation was to develop and assess surface modifications of fluorescent nanodiamonds (NDs) for optical sensing. Three modification routes were tested, each aimed at a different application. Modification with poly-L-lysine (pLys) was verified for optical sensing of pH via an interrelationship between electrically negative (NV¯) and neutral (NV0) nitrogen-vacancy centres. Immobilisation of Ochratoxin A (OTA),...
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Normalized Partial Scattering Cross Section for Performance Evaluation of Low-Observability Scattering Structures
PublicationThe development of diffusion metasurfaces created new opportunities to elevate the stealthiness of combat aircraft. Despite the potential significance of metasurfaces, their rigorous design methodologies are still lacking, especially in the context of meticulous control over the scattering of electromagnetic (EM) waves through geometry parameter tuning. Another practical issue is insufficiency of the existing performance metrics,...
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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment
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Toward Mechanosynthesis of Diamondoid Structures: X. Commercial Capped CNT SPM Tip as Nowadays Available C2 Dimer Placement Tool for Tip-Based Nanofabrication
PublicationAccording to Drexler, advanced mechanosynthesis will employ advanced nano-machines, but advanced nano-machines will themselves be products of advanced mechanosynthesis. This circular relationship must be broken via TBN technology development. In this article, the possibility of using easily available commercial CNT tips to assemble carbon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target...
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Molecular dynamics study of 4-OH-phenylacetyl- D -Y(Me)FQNRPR-NH 2 selectivity to V1a receptor
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The influence of dimensional accuracy on steel structures cost calculation
PublicationW referacie przedstawiono zależność pomiędzy wartością tolerancji a kosztami wytwarzania budowlanych konstrukcji stalowych. Opisano zasady klasyfikacji tolerancji prętowych konstrukcji stalowych z uwagi na porawny montaż konstrukcji wyrażony równaiem pętli montażowej. Przedstawiono podstawy analizy i syntezy tolerancji oraz zaproponowano nową formułę optymalizacji kosztów wytwarzania. Wskazano metody rozwiązania zadania optymalizacyjnego.
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Towards automated full-wave design of microwave structures
PublicationArtykuł przedstawia problematykę automatycznego projektowania układów mikrofalowych i jego znaczenie. przedstawia stan rynku narzędzi projektowania, pojawiąjące się rozwiązania i przyszłe trendy.
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Manufacturing of resistant joints by rolling for light tubular structures
PublicationKoncepcja łączenia aluminiowych elementów rurowych z zastosowaniem nagniatania plastycznego jest alternatywą do istniejących metod łączenia przez spawanie i skręcanie. W artykule prezentowane są oryginalne wyniki badań wpływu parametrów nagniatania wewnętrznego i zewnętrznego oraz różnych postaci powierzchni łączonych na wytrzymałość złącza (aluminium-aluminium) pod wpływem rozciągających sił osiowych.Badania przeprowadzono na...
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Modeling for Detection of Degraded Zones in Metallic and Composite Structures
PublicationW pracy przedstawiono przegląd metod modelowania uszkodzeń w postaci pęknięć i delaminacji wystepujących w elementach konstrukcyjnych
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Numerical analysis of elastic wave propagation in unbounded structures
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Application of superelements in static analysis of thin‐walled structures
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Damage detection of structures using spectral element method.
PublicationW pracy przedstawion mozlwiości detekcji uszkodzeń w postaci pęknięć zmęczeniowych i delaminacji z wykorzystaniem modeli budowanych za pomocą metody spektralnych elementów skończonych.
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Evaluation of thermal diffusivity variations in multi - layered structures.
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Wavelet analysis in detection and localization of damage in engineering structures
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Vibration based damage localization in non-homogeneous structures
PublicationPrzedmiotem badań jest identyfikacja lokalnych uszkodzeń w konstrukcjach budowlanych. Przedstawione są trzy metody bazujące na teorii drgań. Są to metody badające: częstości własne, podatność i krzywizny postaci drgań układu. Skuteczność metod pokazana jest na przykładach symulacji komputerowych, wykonanych dla belki swobodnie podpartej, wspornikowej oraz podwieszonej kładki dla pieszych. Dodatkowo zaprezentowane są wyniki badań...
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A review of structures, properties and analysis of volatile amines in the environment
PublicationOmówiono właściwości i źródła wytwarzania lotnych amin alifatycznych. Uwzględniono również ich wpływ na organizmy żywe. Przedstawiono liczne naturalne i antropogeniczne źródła amin. Omówiono problemy analityczne związane z oznaczaniem amin w próbkach środowiskowych, przygotowaniem próbek do analizy chromatograficznej oraz nowe techniki oznaczania lotnych amin alifatycznych.
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Chemical structures and physical properties of cured segmental polyurethanes
PublicationPrzedmiotem badań były poliuretany (PUR) segmentowe otrzymywane w dwuetapowej syntezie oligomerycznego α,ω-dihydroksy(adypinianu etylenowo-butylenowego) oraz dwóch różnych aromatycznych diizocyjanianów: 4,4'-diizocyjanianu difenylenometanu (MDI) albo MDI modyfikowanego diizocyjanianem karbodiimidu. Na etapie przedłużania łańcucha, oprócz typowo używanego do tego celu 1,4-butanodiolu, stosowano triol - 1,3-dihydroksy-2-(hydroksymetyleno)propan...
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Remote sensing and photogrammetry techniques in diagnostics of concrete structures
PublicationRecently laser scanning technologies become widely used in many areas of the modern economy. In the following paper authors show a potential spectrum of use Terrestrial Laser Scanning (TLS) in diagnostics of reinforced concrete elements. Based on modes of failure analysis of reinforcement concrete beam authors describe downsides and advantages of adaptation of terrestrial laser scanning to this purpose, moreover reveal under which...
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The impact of material degradation on the resistance and reliability of truss structures
PublicationThe paper analyses limit load-carrying capacity and buckling load of truss towers used to support high voltage power lines. The analysed typical structure was subjected to characteristic loads and their combinations. The results were applied to assess structural resistance with regard to steel corrosion in the long-term operation. The extent of structural deterioration was assessed due to Young's modulus decrement in the course...
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Preparation and X-ray structures of selected aminium thiosulfates
PublicationVarious types of aminium thiosulfates (1–6), including hydrates and mixed salts, have been obtained by the reaction of ammonium thiosulfate with amines. Tertbutylamine, cyclo-hexylamine and 1,6-diaminohexane gave crystals of (t-BuNH3)2S2O3·H2O (1), (c-C6H11NH3)2S2O3 (3) and {(NH4)2(H3NC6H12NH3)(S2O3)2} (6), respectively, which were investigated by X-ray structural analysis. Extensive hydrogen bonding of the N-H…O and N-H…S type...
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Water sorption and blistering of GFRP laminates with varying structures
PublicationThe microstructures, water absorption as well as blistering was studied for bi- and tri- axial glass fibre vinyl ester and polyester -matrix laminates coated with gel coat layer and uncoated. The effect of manufacturing technique on water sorption characteristics was considered. It was found that water sorption characteristics of GFRP depend on manufacturing methods. The least water intake was found for specimens having perfect...
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Reliability of imperfect structures (simple non-linear models)
PublicationPrzyjęto proste modele prętów umożliwiających analizę układów o niestatecznych i statecznych punktach bifurkacji. Wykorzystano symulacyjną metodę wyznaczania niezawodności. Zastosowano metodę Monte Carlo i równania 3 poziomu dokładności. Uzyskano rozkłady prawdopodobieństwa obciążenia granicznego nieliniowych modeli konstrukcji z losowymi imperfekcjami. Wykazano, że histogramy siły granicznej modelu statecznego i niestatecznego...
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Application of superelements in static analysis of thin-walled structures.
PublicationW pracy omówiono koncepcję zastosowania superelementów MES w statycznej analizie konstrukcji cienkościennych ze szczególnym uwzględnieniem belek cienkościennych wzmocnionych stężeniami oraz węzłów ram zbudowanych z elementów cienkościennych. W zamieszczonych przykladach numerycznych rozwiazania uzyskane z pomoca superelementów porównano z wynikami otrzymanymi przy gestej dyskretyzacji MES całej konstrukcji elementami powłokowymi.
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Experimental and numerical investigations of ultimate strength of degradated structures
PublicationThe presented work investigates the corrosion influence on the structural behaviour of structural elements. Nine welded large-scale stiffened plates, and 30 standard small specimens have been subjected to the accelerated marine immersed conditions. After corrosion testing, the specimens have been accurately measured in terms of surface characteristics. The coupon specimens were furtherly subjected to tensile loading to develop...
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Wave transmission across surface interfaces in lattice structures
PublicationWithin the lattice dynamics formulation, we present an exact solution for anti-plane surface waves in a square lattice strip with a surface row of material particles of two types separated by a linear interface. The considered problem is a discrete analog of an elastic half-space with surface stresses modelled through the simplified Gurtin–Murdoch model, where we have an interfacial line separating areas with different surface...
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Reduced-Cost Design Optimization of High-Frequency Structures Using Adaptive Jacobian Updates
PublicationElectromagnetic (EM) analysis is the primary tool utilized in the design of high-frequency structures. In vast majority of cases, simpler models (e.g., equivalent networks or analytical ones) are either not available or lack accuracy: they can only be used to yield initial designs that need to be further tuned. Consequently, EM-driven adjustment of geometry and/or material parameters of microwave and antenna components is a necessary...
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Electron-Induced Decomposition of Uracil-5-yl O-(N,N-dimethylsulfamate): Role of Methylation in Molecular Stability
PublicationThe 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...
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Quasi-Global Optimization of Antenna Structures Using Principal Components and Affine Subspace-Spanned Surrogates
PublicationParametric optimization is a mandatory step in the design of contemporary antenna structures. Conceptual development can only provide rough initial designs that have to be further tuned, often extensively. Given the topological complexity of modern antennas, the design closure necessarily involves full-wave electromagnetic (EM) simulations and—in many cases—global search procedures. Both factors make antenna optimization a computationally...
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Toward Mechanosynthesis of Diamondoid Structures: IX Commercial Capped CNT Scanning Probe Microscopy Tip as Nowadays Available Tool for Silylene Molecule and Silicon Atom Transfer
PublicationAccording to K. E. Drexler, advanced mechanosynthesis will employ advanced nanomachines, but advanced nanomachines will themselves be product of advanced mechanosynthesis. This circular relationship must be broken in SPM technology development. In the article, the possibility of use easy available commercial CNT tips to assembly silicon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target class...
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Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulations
PublicationAmino acid ionic liquids (AAILs) provide a low toxicity, biodegradable alternative to conventional ionic liquids, while also maintaining solubility in water. Densities and sound velocities of aqueous solutions of four amino acid ionic liquids (AAILs), based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 6, 8) cation and N-acetyl-L-alaninate ([N-Ac-L-Ala]) anion were measured at T = (293.15–313.15) K and at atmospheric...
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Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
PublicationThe synthesis and crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one, C16H12O3,I, and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one,C22H16O3,II, are reported. These compounds are of interest with respect to biological activity. Both structures display intermolecular C—H---O and O—H---O hydrogen bonding, forming layers in the crystal lattice. The crystal structure of compound I is consolidated...
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Expedited Acquisition of Database Designs for Reduced-Cost Performance-Driven Modeling and Rapid Dimension Scaling of Antenna Structures
PublicationFast replacement models have been playing an increasing role in high-frequency electronics, including the design of antenna structures. Their role is to improve computational efficiency of the procedures that normally entail large numbers of expensive full-wave electromagnetic (EM) simulations, e.g., parametric optimization or uncertainty quantification. Recently introduced performance-driven modeling methods, such as the nested...
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Application of hybrid finite-difference mode-matching method to analysis of structures loaded with axially-symmetrical posts
PublicationW artykule przedstawiono nową metodę hybrydową do analizy układów falowodowych zawierających dowolne konfiguracje obiektów osiowo-symetrycznych. Metoda oparta jest na połączeniu metody różnic skończonych, metody dopasowania rodzajów oraz iteracyjnej procedury rozpraszania. W pracy przedstawiono badania zbieżności metody. Uzyskane wyniki numeryczne porównano z wynikami odniesienia. Duża zgodność wyników potwierdziła poprawność opracowanego...
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3-D finite-difference time-domain modelling of ground penetrating radar for identification of rebars in complex reinforced concrete structures
PublicationThis paper presents numerical and experimental investigations to identify reinforcing bars using the ground penetrating radar (GPR) method. A novel element of the paper is the inspection of different arrangements of reinforcement bars. Two particular problems, i.e. detection of few adjacent transverse bars and detection of a longitudinal bar located over or under transverse reinforcement, have been raised. An attention was also...
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Molecular Dynamics of a Vasopressin V2 Receptor in a Phospholipid Bilayer Membrane
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