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Wyniki wyszukiwania dla: charge density waves
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Combined Spectroscopic Methods of Determination of Density of Electronic States: Comparative Analysis of Diffuse Reflectance Spectroelectrochemistry and Reversed Double-Beam Photoacoustic Spectroscopy
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Electron Density from Balmer Series Hydrogen Lines and Ionization Temperatures in Inductively Coupled Argon Plasma Supplied by Aerosol and Volatile Species
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Rengel Cane Sia Doctoral Candidate
OsobyI'm Rengel, born and raised in the Philippines. As an undergraduate I did kinetic modeling on Copper-catalyzed atom transfer radical addition (ATRA). Then I was inspired to do both theoretical and experimental studies, which led me to propose my master's thesis on Synthesis, Computational, Electrochemical, and Photoconductivity Studies on Naphthalene and its derivatives. This led to a master's degree in Chemistry in the Mindanao...
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Radiation dose distributions in three dimensions from tomographic optical density scanning of polymer gels: II. Optical properties of the BANG polymer gel
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Evaluation by means of magneto-acoustic emission and Barkhausen effect of time and space distribution of magnetic flux density in ferromagnetic plate magnetized by a C-core
PublikacjaPokazano wyniki badań emisji magnetoakustycznej (EMA) i efektu Barkhausena (HEB) dla dwóch płyt stalowych o różnych wymiarach. Wyniki te są porównane z wynikami modelowania zjawiska EMA z wykorzystaniem metody elementów skończonych z uwzględniem efektu prądów wirowych. Uzyskano zadawalające dopasowanie modelu, który odtwarzał poszerzenie maksimum EMA oraz przesunięcie fazowe i zmianę amplitudy HEB.
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Electrical signatures of Nimbostratus and Stratus clouds in ground-level vertical atmospheric electric field and current density at mid-latitude station Swider, Poland
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Dermal microvessel density and maturity is closely associated with atherogenic dyslipidemia and accumulation of advanced glycation end products in adult patients with type 1 diabetes
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Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublikacjaThis paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes with the bidentate coumarin ligands. Both complexes were characterized by FTIR spectroscopy, 1H NMR, 13C NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess...
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Ekspertyza konstrukcji i stanu technicznego napędu rollera rejowego, napędu rollera sztagowego oraz wózka fałowego na sztag s/y "Running on Waves"
PublikacjaCelem ekspertyzy było ustalenie przyczyn nieprawidłowej pracy urządzeń rejowych i wciągarek. Omówiono błędy projektowe i wykonawcze oraz wskazano przyczyny awarii. Sformułowano wnioski dotyczące kierunków modernizacji konstrukcji.
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Dipole-bound anions supported by charge-transfer interaction: Anionic states of HnF3?nN ? BH3 and H3N ? BHnF3?n (n = 0, 1, 2, 3)
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Analysis of factors influencing the density of fatalities on national roads in poland = Analiza czynników wpływających na gęstość ofiar śmiertelnych na drogach krajowych w Polsce
PublikacjaW referacie przedstawiono doświadczenia innych krajów i wstępne wyniki badań wpływu wybranych czynników na gęstość i liczbę ofiar śmiertelnych wypadków drogowych na drogach krajowych w Polsce.
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Clinical and Epidemiological Characteristics of 1283 Pediatric Patients with Coronavirus Disease 2019 during the First and Second Waves of the Pandemic—Results of the Pediatric Part of a Multicenter Polish Register SARSTer
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GRAPHENE-BASED SUPERCAPACITORS APPLICATION FOR ENERGY STORAGE
PublikacjaRecent advances in graphene-based supercapacitor technology for energy storage application were summarized. The comparison of different types of electrode materials in such supercapacitors was performed. The supercapacitors with graphene-based electrodes exhibit outstanding performance: high charge-discharge rate, high power density, high energy density and long cycle-life, what makes them suitable for various applications, e.g....
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Nonlinear Interaction of Magnetoacoustic Modes in a Quasi-Isentropic Plasma Flow
PublikacjaThe nonlinear interaction of magnetoacoustic waves in a plasma is analytically studied. A plasma is an open system. It is affected by the straight constant equilibrium magnetic flux density forming constant angle with the wave vector which varies from 0 till . The nonlinear instantaneous equation which describes excitation of secondary wave modes in the field of intense magnetoacoustic perturbations is derived by use of projecting....
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublikacjaLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
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Cu-Doped Layered Double Hydroxide Constructs the Performance-Enhanced Supercapacitor Via Band Gap Reduction and Defect Triggering
PublikacjaLayered double hydroxides (LDHs) are regarded as the excellent electrode materials for supercapacitors because of their high theoretical capacitance and abundance. However, the poor conductivity and limited reaction kinetics of LDHs restrict their practical application severely. Herein, Cu is chosen from groups VIII/IB/IIB as dopants for Co-based LDH (CuCo-LDH). The designed metal–organic framework-derived hierarchical CuCo-LDH...
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Ship model resistance - KCS
Dane BadawczeShip model instantaneous resistance, velocity, pitch and heave measured data for a KCS built and tested in the towing tank of the Faculty of Mechanical Engineering and Ship Technology of Gdansk University of Technology under regular head waves.
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Katania, 2023, Road SS114 – csv data from sensors on bicycle
Dane BadawczeData collected with bicycle-mounted sensors on 06.07.2023 while cycling on the cycle path along the SS114 road in Catania. The data includes parameters such as: gps coordinates- txt files, brain waves and heart rate- csv file.
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The Examination of the Upper Layers of the Seabed by the Means of the Acoustic Methods
PublikacjaPropagation of acoustic waves in the sea, in particular in shallow sea, depends on several factors. The basic of them are source power and frequency of acoustic waves, spatial distribution inhomogeneous medium in which acoustic wave propagates, and distributions of speed of sound and density of seawater. The coastal conditions, which limit water medium from above (free surface of the sea) and from bottom (the seabed), are no less...
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Evaluation of the electrochemical performance of CPMD in ZICs with 3M ZnSO4 electrolyte
Dane BadawczeThese data contain the results of the electrochemical performance measurements of CPMD in ZICs with 3M ZnSO4 electrolyte, incl. CGD (galvanostatic charge-discharge ) curve and cycling stability of CPMD. Sample abbreviations (CPMD) are in agreement with the markings used in the linked publication.
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Diamond-Based Supercapacitors with Ultrahigh Cyclic Stability Through Dual-Phase MnO2-Graphitic Transformation Induced by High-Dose Mn-Ion Implantation
PublikacjaWhile occasionally being able to charge and dischargemore quickly than batteries, carbon-based electrochemical supercapacitors(SCs) are nevertheless limited by their simplicity of processing, adjustableporosity, and lack of electrocatalytic active sites for a range of redox reactions.Even SCs based on the most stable form of carbon (sp3carbon/diamond)have a poor energy density and inadequate capacitance retention during longcharge/discharge...
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublikacjaThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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Testing the impact of simplifications adopted in models describing wave loads on ship
PublikacjaThe wave-ship system in naval architecture is generally assumed to be a linear one. This allows for the computation of a transfer function of ship response to waves including wave loads on ship. The transfer function and the wave spectral density function enable the development of the stochastic process of wave loads on ship, corresponding to the irregular wave generating that loads. If the mathematical models of wave load transfer...
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Testing the impact of simplifications adopted in models describing wave loads on ship
PublikacjaThe wave-ship system in naval architecture is generally assumed to be a linear one. This allows for the computation of a transfer function of ship response to waves including wave loads on ship. The transfer function and the wave spectral density function enable the development of the stochastic process of wave loads on ship, corresponding to the irregular wave generating that loads. If the mathematical models of wave load transfer...
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Jarosław Przewłócki prof. dr hab. inż.
OsobyJarosław Przewłócki jest profesorem na Wydziale Architektury Politechniki Gdańskiej, zastępca kierownika Katedry Technicznych Podstaw Projektowania Architektonicznego. Podstawowym kierunkiem jego działalności naukowej są badania zjawisk losowych i zastosowanie metod probabilistycznych oraz teorii niezawodności w budownictwie, a w szczególności w geotechnice. Autor i współautor około stu publikacji naukowych, w tym szeregu książek...
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Improving the Performance of a Graphite Foil/Polyaniline Electrode Material by a Thin PEDOT:PSS Layer for Application in Flexible, High Power Supercapacitors
PublikacjaIn this study, we present a novel strategy for enhancing polyaniline stability and thus obtaining an electrode material with practical application in supercapacitors. A promising (graphite foil/polyaniline/poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) GF/PANI/PEDOT:PSS) electrode material was characterized and used in the construction of a symmetric supercapacitor that provides an outstanding high power density. For this...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublikacjaThe 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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Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublikacjaDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
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Ultrasound monitoring for evaluation of damage in reinforced concrete
PublikacjaThe paper deals with automated monitoring of damage evolution in concrete elements subjected to three-point bending tests. The monitoring is based on the nonlinear interactions of traveling ultrasonic waves with micro-crack zones inside the concrete specimens and surface-breaking cracks. The developed procedure assumes semi-continuous ultrasonic testing during the element full loading cycle and generation of the power spectral...
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Abdalraheem Ijjeh Ph.D. Eng.
OsobyThe primary research areas of interest are artificial intelligence (AI), machine learning, deep learning, and computer vision, as well as modeling physical phenomena (i.e., guided waves in composite laminates). The research interests described above are utilized for SHM and NDE applications, namely damage detection and localization in composite materials.
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublikacjaThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Weak localization competes with the quantum oscillations in a natural electronic superlattice: The case of Na1.5(PO2)4(WO3)20
PublikacjaWe report an investigation of the combined structural and electronic properties of the bronze Na1.5(PO2)4(WO3)20. Its low-dimensional structure and possible large reconstruction of the Fermi surface due to charge density wave instability make this bulk material a natural superlattice with a reduced number of carriers and Fermi energy. Signatures of multilayered two-dimensional (2D) electron weak localization are consequently reported,...
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Optoelectronic properties of curved carbon systems
PublikacjaSystematic investigation of optoelectronic properties of curved carbon systems has been performed and the results have been compared with the representatives of flat carbon systems. Moreover, the application of third order dispersion corrected density functional tight binding method (with third order corrections of self-consistent charges) including Becke-Johnson dumping (DFTB3-D3(BJ)) has been validated in order to obtain reliable...
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Measurements of guided wave propagation in CFRP/steel adhesive joints obtained by scanning laser vibrometry
Dane BadawczeThe DataSet contains guided wave signals measured in adhesive joints of steel plates (steel of type S355 with a thickness of 11.9 mm ) and carbon fibre reinforced polymer (CarboDur S1012 with a thickness of 1.24 mm). The samples were as follows: #0 – intact; #1 – 10% disbond; #2 – 20% disbond; #3 – 50% disbond; #4 – 80% disbond; #5 – 100% disbond.
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TG and DTG profiles for plastics: LDPE, HDPE, PP, PD and PET
Dane BadawczeThe dataset includes:
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Electrochemical studies of Boron-Doped Diamond enriched Laser Induced Graphene structures
Dane BadawczeThis dataset contains electrochemical studies aimed to evaluate the capability of the utilization of laser-induced graphene (LIG) with incorporated boron-doped diamond nanowall (BDNW) hybrid nanostructures for microsupercapacitors. Selected results from this dataset were published in Advanced Functional Materials journal: https://doi.org/10.1002/adfm.202206097
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Electrodes consisting of PEDOT modified by Prussian Blue analogues deposited onto titania nanotubes – Their highly improved capacitance
PublikacjaIn this work we present the outstanding energy storage of prepared inorganic-organic heterojunction where hydrogenated ordered titania nanotubes (H-TiO2NT) were modified by the hybrid made of poly(3,4-ethylenedioxythiophene) (pEDOT) and iron hexacyanoferrate centres (Fehcf, Prussian Blue). The material TiO2NT/pEDOT:Fechf was obtained electrochemically by means of: anodization, hydrogenation and finally, electropolymerization of...
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Experimental and DFT insights into an eco-friendly photocatalytic system toward environmental remediation and hydrogen generation based on AgInS2 quantum dots embedded on Bi2WO6
PublikacjaBismuth tungstate (Bi2WO6) can work as a photocatalyst but suffers from rapid recombination of photogenerated charge carriers. Herein, density functional theory (DFT) simulations revealed that the formation of a thermodynamically stable AgInS2(112)/Bi2WO6(010) heterojunction could promote charge separation and enhance the photoactivity of Bi2WO6. To confirm these theoretical predictions, a new type of photocatalysts in the form...
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Oznaczanie tlenu – od metody Winklera do czujników enzymatycznych (Determination of oxygen – from Winkler Method to enzymatic sensor)
PublikacjaMonitoring of dioxygen levels is of utmost importance from the view-point of life processes, medical diagnostics, nutrition and chemical industries. In all these measurements both low and high levels of this element are important. The common methods for the determination of dioxygen are the Winkler method, Clark electrode and pulsoxymeters. A new, already strong field of research can be now recognized – the development of miniaturized...
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Supramolecular junctions of the PDA tetramers
Dane BadawczeIn this dataset, a set of polydopamine (PDA) supramolecular junctions with linear and cyclic tetramers in different oxidation states (indolequinone , IQ or dihydroxyindole, DHI) in the scattering region are investigated. Electronic structure of the supramolecular junction with cyclic and linear PDA tetramers, including Electron density maps for the...
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Modelling of in-plane wave propagation in a plate using spectral element method and Kane-Mindlin theory with application to damage detection
PublikacjaThis paper presents results of experimental and numerical analyses of in-plane waves propagatingin a 5 mm-thick steel plate in the frequency range of 120-300 kHz. For such a thickness/frequency ratio,extensional waves reveal dispersive character. To model in-plane wave propagation taking into account thethickness-stretch effect, a novel 2D spectral element, based on the Kane-Mindlin theory, was formulated. Anapplication of in-plane...
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Modeling of free vibrations and resonant frequencies of simply-supported submerged horizontal plate
PublikacjaA theoretical approach was applied to study the vibration of simple-supported submerged horizontal plate. The derived analytical solution was used to determine natural frequencies for a horizontal plate vibrating in fluid. The investigations were conducted for a very wide range of material density and elasticity modulus covering all materials used in engineering practice. Analysis shows that plate vibration frequency decreases...
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublikacjaWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Diagnostics of bolted lap joint using guided wave propagation
PublikacjaThe paper presents numerical and experimental analyses of elastic waves propagation in a bolted lap joint. In experimental investigations condition assessment of the joint was performed with the use of symmetric waves excited by a piezoactuator. Numerical calculations were conducted in commercial finite element method software Abaqus. The influence of number of bolts and the value of the initial stress on recorded signals was examined....
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On the relationship between the structural and volumetric properties of solvated metal ions in O-donor solvents using new structural data in amide solvents
PublikacjaThe structures of the N,N-dimethylformamide (dmf), N,N-dimethylacetamide (dma), and N,N-dimethylpropionamide (dmp) solvated strontium and barium ions have been determined in solution using large angle X-ray scattering and EXAFS spectroscopy. The strontium ion has a mean coordination number (CN) between 6.2 and 6.8, and the barium ion has a mean CN between 7.1 and 7.8 in these amide solvents. The non-integer numbers indicates that...
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Sounding of Layered Marine Bottom - Model Investigations
PublikacjaThe necessary actions connected with interpretations of examining of physical properties of sea bottom structure is developing of proper procedure of modeling of the layered structure. The implementation of the acoustic waves for the determination of seabed stratification requires a precise diagnosis of the topic from both the theoretical and practical side. Little differences between the parameters of sediments, as well as irregular...
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Modeling the electrical characteristics of P3HT:PCBM bulk heterojunction solar cells: Influence of the interface recombination
PublikacjaThe interface recombination of charge carriers located in the material with lower permittivity (Szmytkowski 2009 Chem.Phys.Lett. 470 123) has been implemented for the first time to calculate the electrical characteristics of the donor-acceptor P3HT:PCBM bulk heterojunction solar cell. In order to estimate the photocurrent density in this system, a simple analytical formula has been derived. We have obtained a very good agreement...
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Ultrasonic spectroscopy of silicon single crystal
PublikacjaSpecimens of Si single crystals with different crystal orientation [100] and [110] were studied by the electro-ultrasonic spectroscopy (EUS) and Resonant Ultrasonic Spectroscopy (RUS). A silicon single crystal is an anisotropic crystal, so its properties are different in different directions in the material relative to the crystal orientation. EUS is based on interaction of two signals: electric AC signal and ultrasonic signal,...
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Pulsed UV-irradiated Graphene Sensors for Ethanol Detection at Room Temperature
PublikacjaA graphene-based gas sensor fabricated in a FET (GFET) configuration and its sensitivity towards ethanol and methane is reported. Detection of ethanol at the level of 100 ppm was observed under pulsed UV irradiation and after cleaning by UV light in the N2 ambient. Reduction of the frequency of UV irradiation pulses resulted in increased changes in sensor resistance in the presence of ethanol. Improved sensing behavior was ascribed...
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Underwater Acoustic Imaging of the Sea
PublikacjaAcoustic waves are a carrier of information mainly in environments where the use of other types of waves, for example electromagnetic waves, is limited. The term acoustical imaging is widely used in the ultrasonic engineering to imaging areas in which the acoustic waves propagate. In particular, ultrasound is widely used in the visualization of human organs - ultrasonography (Nowicki, 2010). Expanding the concept, acoustical imaging...