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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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Improving the accuracy of subgridding scheme in finite differences method based on Legendre polynomials expansion
PublikacjaIn this article the Legendre polynomials have been used to interpolate the field at the boundary of the meshes of different densities. The numerical verification of the proposed technique has been carried out in frequency domain. It has been shown that the accuracy of the presented method is very high and stable - the error monotonically decreases as a function of the refinement factor.
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Analysis of unsteady flow forces on the thermowell of steam temperature sensor
PublikacjaIn this paper, 3D numerical analysis of unsteady flow forces acting on the measuring sheath of steam temperature is presented. According to that purpose, the CFD (Computation Fluid Dynamic [1]) approach has been used. The nonstationary of fluid acting on the measuring sheath such as: Strouhal frequency, amplitude of pressure, structure of vortex, peak of pressure, field of pressure, field of velocity etc. are studied analytically...
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Evaluating experimental molecular physics studies of radiation damage in DNA*
PublikacjaThe field of Atomic and Molecular Physics (AMP) is a mature field exploring the spectroscopy, excitation, ionisation of atoms and molecules in all three phases. Understanding of the spectroscopy and collisional dynamics of AMP has been fundamental to the development and application of quantum mechanics and is applied across a broad range of disparate disciplines including atmospheric sciences, astrochemistry, combustion and environmental...
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Badania empiryczne związane z ewolucją języków - wybrane zagadnienia
PublikacjaAlthough language evolution is an area in science yet to be developed, its foundations lay on empirical research. The aim of this article is to present three categories of ways to get empirical data on language evolution: observing language in laboratory, monitoring animal communication and analysing pidgins and creoles. The part of the paper about language in laboratory bases on English-language articles presenting the experiments...
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Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublikacjaThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
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Analytical Strategies and Applications in Lipidomics
PublikacjaLipidomics is a field of study aiming at a comprehensive analysis of a set of lipids in biological systems. This includes both quantitative and qualitative characterization of lipid profiles, comparative studies of lipidomes, and analysis of lipid-protein interactions. Lipids are structurally diversified that make their analysis a challenging task. The constant advances in analytical technologies, especially in the field of high-performance...
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Unusual dynamics and nonlinear thermal self-focusing of initially focused magnetoacoustic beams in a plasma
PublikacjaUnusual thermal self-focusing of two-dimensional beams in plasma which axis is parallel to the equilibrium straight magnetic field is considered. The equi- librium parameters of plasma determine scenario of a beam divergence (usual or unusual) which is stronger as compared with a flow without magnetic field. Nonlinear thermal self-action of a magnetosonic beam behaves differently in the ordinary and unusual cases. Damping of wave...
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A selectively reduced degree basis for efficient mixed nonlinear isogeometric beam formulations with extensible directors
PublikacjaThe effect of higher order continuity in the solution field by using NURBS basis function in isogeometric analysis (IGA) is investigated for an efficient mixed finite element formulation for elastostatic beams. It is based on the Hu–Washizu variational principle considering geometrical and material nonlinearities. Here we present a reduced degree of basis functions for the additional fields of the stress resultants and strains...
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A new relevant membrane application: CO2 direct air capture (DAC)
PublikacjaSince carbon dioxide (CO2) is the primary greenhouse gas emitted into the atmosphere due to human activities, strong research efforts have been developed towards capturing and decreasing its production. Unfortunately, specific processes and activities make it impossible to avoid CO2 emissions. Among the different strategies scientists propose for CO2 reduction, direct CO2 capture from the atmosphere, also known as direct air capture...
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Current divider-based nanosecond high current pulse measuring systems
PublikacjaThis paper presents the analysis of the new approach to the measurement methodology of significant values (in order of hundreds of kA) and huge steepness (in order of MA/μs) current pulses based on current dividers along with a comparison of the various types transducers suitability in measuring systems with such extreme parameters. Such dividers are used to extend the measurement ranges of current transducers with limited current...
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Revisiting Toroidal Dipolar Moment in Planar Metamaterial
PublikacjaThis article revisits the electric, magnetic, and toroidal dipolar moments in the metamaterial structure and presents the flatland design for generating a toroidal dipolar response for the electromagnetic plane wave at normal incidence. Based on the numerical analysis of the surface current, the electric field, the magnetic field, and the quantitative analysis of scattered power supported by the electromagnetic multipole theory,...
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The LaPdIn 4 indide and elementary properties of the LaTIn 4 ( T = Ni, Pd, Pt) materials family
PublikacjaThe indium-rich intermetallic compound LaPdIn4 is reported, prepared by arc-melting and annealing at 600 C. Single crystal X-ray diffraction found the material to be orthorhombic, space group Cmcm (No. 63), with lattice parameters a ¼ 4.5462(3) Å, b ¼ 16.9208(10) Å, and c ¼ 7.3100(5) Å. This previously unreported indide is isostructural with LaNiIn4 and LaPtIn4. It is demonstrated that all three compounds in the LaTIn4 (T ¼ Ni,...
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Fractional Order Circuit Elements Derived from Electromagnetism
PublikacjaIn this paper, derivations of fractional-order (FO) circuit-element equations from electromagnetism are presented. Whilst many papers are devoted to FO modelling of electrical circuits, there are no strong foundations for such an approach. Therefore, we investigate relations between the FO electromagnetism and the FO circuit theory. Our derivations start from quasi-static (QS) approximations of Maxwell's equations in media with...
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MEMORYSCAPES OF EASTERN POLAND
PublikacjaThe text investigates new phenomena emerging in the field of social memory and commemoration in contemporary Poland. On the basis of field analyses, case studies and theoretical, transdisciplinary approaches, the paper discusses the issue of contemporary memoryscapes in eastern Poland (Bialystok and Lublin). These emerging forms of remembrance are the result of the sophisticated interplay between different actors involved in the...
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Comparison of the Measurement Techniques Employed for Evaluation of Ambient Air Odour Quality Influenced by Operation of Industrial Sewage Treatment Plant
PublikacjaThe paper presents the results of investigation on ambient air quality evaluation with respect to concentration of odorants in a vicinity of a sewage treatment plant of the LOTOS Group S.A. petroleum plant. The investigation was performed during winter season using a prototype of electronic nose and the Nasal Ranger field olfactometers. The prototype was equipped with a set of six semiconductor sensors by FIGARO Co. and one PID-type...
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IDEA SMART CITY W KONTEKŚCIE ROZWOJU PRZEDSIĘBIORCZOŚCI NA PRZEDMIEŚCIACH
PublikacjaSmart City Concept in the Context of Enterpreneurship Development in Suburban Areas. Supporting innovation and knowledge within economic development, these are the goals of public managers, enthusiasts of the Smart City concept. It is questioned whether this concept is the best solution for regional development and efficient support to local entrepreneurship based on SMEs (small and medium enterprises). Moreover, the results of...
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Monitoring of odour nuisance in the Tricity Agglomeration
PublikacjaThe paper describes a principle of operation of odour nuisance monitoring network, which is being designed in the Tricity Agglomeration. Moreover, it presents the preliminary results of an investigation on ambient air quality with respect to odour nuisance in a vicinity of the municipal landfill. The investigation was performed during spring-winter season using a prototype of electronic nose and the Nasal Ranger field olfactometers. The...
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Comparison of the measurement techniques employed for evaluation of ambient air odour quality
PublikacjaThe paper presents the results of investigation on ambient air odour quality in a vicinity of the industrial sewage treatment plant being a part of the crude oil processing plant. The investigation was performed during spring-winter season using a prototype of electronic nose and the Nasal Ranger field olfactometers. The prototype was equipped with a set of six semiconductor sensors by FIGARO Co. and one PID-type sensor. The field...
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FE investigations of the effect of fluctuating local tensile strength on coupled energetic-statistical size effect in concrete beams
PublikacjaThe effect of fluctuating local tensile strength on a coupled energetic-statistical size effect in plain concrete beams under bending was numerically investigated. First, the influence of varying autocorrelation length of the random field describing a spatial variation of local tensile strength was studied. Next, the influence of the coefficient of variation of local tensile strength was analyzed. The numerical FE investigations...
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MULTI-CRITERIA MODEL IN MULTIFUNCTIONAL BUILDING SYSTEM DESIGN PROCESS
PublikacjaThe paper presents a multi-criteria approach in multifunctional building system design process. The aim is to develop a theory relative to the engineering system of multifunctional with a mathematical representation defined by a holistic network for the lifecycle of the designed object. The idea of work was to define the structure of a complex system. Background for the presented field is to develop a design strategy for multifunctional...
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Architectural Modifications to Enhance Steganalysis with Convolutional Neural Networks
PublikacjaThis paper investigates the impact of various modifications introduced to current state-of-the-art Convolutional Neural Network (CNN) architectures specifically designed for the steganalysis of digital images. Usage of deep learning methods has consistently demonstrated improved results in this field over the past few years, primarily due to the development of newer architectures with higher classification accuracy compared to...
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State of the art electronic nose technology and future trends
PublikacjaThis chapter briefly reviews the progress in field of artificial olfaction and demonstrates future trends in electronic nose technology. The discussion about e-nose concern also a big challenge for the pattern recognition (PARC) systems due to several particular problems they involve. Finally, the application of e-nose in different areas of life is given.
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Detection of dialogue in movie soundtrack for speech intelligibility enhancement
PublikacjaA method for detecting dialogue in 5.1 movie soundtrack based on interchannel spectral disparity is presented. The front channel signals (left, right, center) are analyzed in the frequency domain. The selected partials in the center channel signal, which yield high disparity with left and right channels, are detected as dialogue. Subsequently, the dialogue frequency components are boosted to achieve increased dialogue intelligibility....
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Fracture mechanics model of cutting power versus widespread regression equations while wood sawing with circular saw blades
PublikacjaA comparison of the theoretical cutting power consumption results forecasted with the model (FM_CM model) which include work of separation (fracture toughness) in addition to plasticity and friction, and two widespread regression equations while wood sawing with circular saw blades has been described. in and cutting power consumption forecasted. In computations of the cutting power consumption during rip sawing of Scots pine wood...
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Empirical verification in industrial conditions of fracture mechanics models of cutting power prediction
PublikacjaA comparison of experimental results obtained in the industrial conditions at a sawmill located in the Baltic Natural Forest Region (PL) and theoretical cutting power consumption forecasted with the models which include work of separation (fracture toughness) in addition to plasticity and friction has been described. In computations of cutting power consumption during rip sawing of Scots pine wood (Pinus sylvestris L.) values of...
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Buckling of frame braced by linear elastic springs
PublikacjaIn the design codes and specifications, simplifed formulae or diagrams are given for determining the buckling lengths of frame columns based on the ruling criterion of considering frames as sway or non sway. Due to the fact that, the code formulae utilize onlylocal stifness distributions, these formulae may yield in certain cases rather erroneous results. In most code formulas a case of weakly braced frames is usually not considered.In...
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THE POTENTIAL OF DIFFERENT VARIETIES OF WHITE CABBAGE IN PHYTOREMEDIATION OF ZN AND CD
PublikacjaThe species belong to the botanical family Brassi- caceae are considered to be useful for phytoremediation of soil contaminated with heavy metals. Problems with use the plants recognized as hyperacumulators is that, the plants need to be harvested shortly after the plants become mature, which causes problems of disposal of obtained biomass. When these plants are dried, they easily crumble and flake off, greatly reducing the yield obtained,...
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Superconductivity and ferromagnetism in Pd doped Y9Co7
PublikacjaThe ferromagnetic superconductor Y9Co7 was chemically doped to yield the solid solution Y9Co7-xPdx for 0 < x < 0.4. The lattice parameter a does not depend on x, whereas c increases with increasing Pd content up to x ¼ 0.2, the palladium solubility limit. The transition from ferromagnetism (TC ¼ 4.25 K) to superconductivity (Tsc ¼ 2.4 K) was observed only for the parent Y9Co7 compound. For the lowest tested Pd doping level (x ¼...
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A Convenient Way to Methylated 2-Imidazolines. Syntheses of Fluorene and Triazine Cyclic Diamidines
PublikacjaOne N-methyl- and 4-substituted 2-imidazolines are described. Fluorene bisimidazolines were obtained in good yield (64-92%), starting from 2,7-dicyanofluorene and ammonium sulfide. In a two-step procedure the crude bisthioamide was reacted with excess diaminoalkane-ethanol (1:1 mixt.) in an oil bath. This new procedure is superior over std. methods. For the sake of comparison, a new triazine bisimidazoline (I) was prepd. by...
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Experiments and Analysis of the Limit Stresses of a Magnetorheological Fluid
PublikacjaPaper presents the results of a rheological test of a commercial magnetorheological (MR) fluid (MRF-132DG). The researchincludes the problem of measuring and interpreting limit stresses under conditions close to the magnetic saturation of the fluid. Fourdifferent limit stresses were determined, two related to the yield point and two related to the flow point. Methods for determining limitstresses, especially due to excitation...
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Fluorescence of p-hydroxyazobenzocrowns – Tautomeric equilibrium effect
PublikacjaThe spectroscopic properties of a series of para-hydroxyazobenzocrowns, including three novel compounds, were investigated using UV–Vis absorption and emission spectroscopy. This study presents, for the first time, determined quantum yield (QY) values for macrocycles of this category, ranging between 0.122 and 0.195. The highest values were obtained for crowns bearing two phenyl substituents in benzene rings. The impact of aromatic...
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OBTAINING OF COUMARONE-INDENE RESINS BASED ON LIGHT FRACTION OF COAL TAR 3. COUMARONE-INDENE RESINS WITH METHACRYLIC FRAGMENTS
PublikacjaThe method for obtaining coumarone-indene resins with methacrylic fragments (CIRM) was developed with the addition of methyl ethacrylate, using a light fraction of coal tar and its fraction boiling within 423–463 К. CIRM was obtained via radical cooligomerization using 2,2'-azobis (2-methyl-propionitrile) as the initiator. The effect of the initiator amount, temperature and reaction time on the yield, softening temperature and...
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High-performance method of carbon nanotubes modification by microwave plasma for thin composite films preparation
PublikacjaIn this work we present a simple and efficient method of nitrogen plasma modification of carbon nanotubes (CNTs). The process allows for treatment of the nanotubes in the form of powder with quite a high yield (65 mg of CNTs per hour). The modified carbon nanotubes contain approx. 3.8% of nitrogen, mostly in the pyridinic form. Plasma treated CNTs exhibit better dispersibility in water and higher electric capacitance than pristine...
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Hydrauliczna wiarygodność wyników pomiarów terenowych stosowanych do identyfikacji oporności hydraulicznej przewymiarowanych sieci wodociągowych
PublikacjaPublikacja zawiera zalecenia metodyczne dotyczące identyfikacji oporności hydraulicznej w przewymiarowanych sieciach wodociągowych na tle spotykanych nieprawidłowości. Krytycznie oceniono wyniki pomiarów terenowych, które zastosowano do tarowania komputerowych modeli przepływów (KMP) pomimo, że nie spełniały kryterium hydraulicznej wiarygodności. Ponadto zaproponowano spadek hydrauliczny jako obiektywny wskaźnik wiarygodności pomiarów,...
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The vortex flow caused by sound in a bubbly liquid
PublikacjaGeneration of vorticity in the field of intense sound in a bubbly liquid in the free half-space is considered. The reasons for generation of vorticity are nonlinearity, diffraction, and dispersion. Acoustic streaming differs from that in a Newtonian fluid. Under some conditions, the vortex flow changes its direction. Conclusions concern streaming induced by a harmonic or an impulse Gaussian beam.
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New analytical sample preparation techniques in food flavour analysis
PublikacjaIn this chapter sample preparation techniques were broadly characterized and their applications in field of food analysis were presented. Usefulness of three extraction methods: SPME, SAFE and SDE for isolation of aroma compounds from complex food matrices was compared. Additionally, requirements for sample preparation methods using in food flavour analysis were detailed.
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Influence of IED Explosion on Lateral Dynamics of a Vehicle
PublikacjaThe paper describes field test results of heavy vehicle tire blow-outs. Both civilian and military vehicles are subjected to sudden loss of inflation pressure in one or more wheels, often accompanied by serious tire damage. Selected results related to the lateral dynamic of vehicle during and just after explosive tire destruction are reported
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Convenient and Efficient Synthesis of Functionalized 2-Sulfenylindoles
PublikacjaA simple, efficient, and practical sulfenylation at the C2 position of N-tosylindoles under mild conditions was developed. The designed transformation is based on the reaction of N-tosylindoles with BuLi and S-alkyl, and S-aryl phosphorodithioates or thiotosylates to produce 2-sulfenylindoles in moderate to high yields. The presence of additional hydroxy, carboxy, or amino functionalities did not disturb the formation of products
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Unifying Aspects of Generalized Calculus
PublikacjaNon-Newtonian calculus naturally unifies various ideas that have occurred over the years in the field of generalized thermostatistics, or in the borderland between classical and quantum information theory. The formalism, being very general, is as simple as the calculus we know from undergraduate courses of mathematics. Its theoretical potential is huge, and yet it remains unknown or unappreciated.
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BJS-03 DO WE NEED FIXATION OF THE MESH IN LAPAROENDOSCOPIC TECHNIQUES FOR M3 INGUINAL DEFECTS? AN EXPERIMENTAL STUDY
PublikacjaThe authors conducted a research experiment to verify the hypothesis that it is possible to preserve the mesh in the operating field in large direct hernias (M3) without the need to use fixing materials. The results showed that mesh fixation is not the only alternative to preventing recurrence in complex defects and that the type of implant seems to be a key factor from the point of view of mechanics and biophysics.
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GENERAL DYNAMIC PROJECTING OF MAXWELL EQUATIONS
PublikacjaA complete – system of Maxwell equations is splitting into independent subsystems by means of a special dynamic projecting technique. The technique relies upon a direct link between field components that determine correspondent subspaces. The explicit form of links and corresponding subspace evolution equations are obtained in conditions of certain symmetry, it is illustrated by examples of spherical and quasi-one-dimensional waves.
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Convenient and efficient synthesis of functionalized unsymmetrical Z-alkenyl disulfanes
PublikacjaWe developed a simple and efficient method for the synthesis of functionalized unsymmetrical Z-alkenyl disulfanes under mild conditions in moderate to good yields. The designed method is based on the reaction of Z-alkenyl thiotosylates with thiols in the presence of base. The developed method allows the preparation of unsymmetrical Z-alkenyl disulfanes bearing additional hydroxy, carboxy, or amino functionalities.
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ANALYSIS OF BONE WEDGE DIMENSIONS SELECTION METHODS IN HIGH TIBIAL OSTEOTOMY
PublikacjaThe article presents the analysis of methods for selecting dimensions of bone wedge for high tibial osteotomy. The existing methods are described along with the procedure. In the following paragraphs, deficiencies in the selection of bone wedge dimensions and global trends in this field have been demonstrated. Based on the numerical analysis, the problem appearing in the wrong choice of bone wedge imensions was illustrated.
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Analysis of graphene multi-strip planar guiding structures with the use of spectral domain approach
PublikacjaSpectral domain approach is modified and used to analyze some simple structures containing graphene strips. The modification is simple and concerns the Green’s function only. Moreover, the method is combined with the recently published root finding algorithms, which significantly improve the efficiency of the analysis. The results obtained for a simple guiding structure is verified and the field displacement effect is confirmed.
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The flux compression generator load parameters selection
PublikacjaComputer simulation results of the flux compression generator (FCG) loaded with an inductor has been presented in this paper. Simulation research has been performed in order to select the parameters of FCG load coil properly. The influence of the load inductance and resistance on the current gain factor and the magnetic field energy accumulated in a load coil has been investigated.
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Separation of the effects of notch and macro residual stress on the MFL signal characteristics
PublikacjaMagnetic flux leakage (MFL) distribution for three configurations of samples has been investigated in order to study the influence of notch and plastic deformation separately as well as together. Samples have been made of S355 steel. The MFL signal measurements were carried out along the longest dimension of the sample over a length of 120 mm. Two components of magnetic field were measured: 1) tangential to the main axis and 2)...
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Parallel Implementation of the Discrete Green's Function Formulation of the FDTD Method on a Multicore Central Processing Unit
PublikacjaParallel implementation of the discrete Green's function formulation of the finite-difference time-domain (DGF-FDTD) method was developed on a multicore central processing unit. DGF-FDTD avoids computations of the electromagnetic field in free-space cells and does not require domain termination by absorbing boundary conditions. Computed DGF-FDTD solutions are compatible with the FDTD grid enabling the perfect hybridization of FDTD...
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Radar technique in application of interlayer identification connections
PublikacjaOne of important issues in pavement construction is to ensure that layers applied directly one on top of the other make up a continuous whole and form an integral construction complex. An appropriate interlayer connection plays here significant role ensuring proper transmission of distortions generated by wheels of vehicles to lower layers and preventing water penetration between the layers. In case of damaged pavements where lack...
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Shipping Low Frequency Noise and Its Propagation in Shallow Water
PublikacjaOne of the most significant factor influencing acoustical climate of the sea is underwater noise generated by moving ships. If the considered sea area has features of the shallow water, namely the wave frequency fulfils relation f < 10c/h, where c denotes phase speed of sound, and h is depths of the sea, then in certain distance from the wave source specific image of sound pressure distribution in the mean of wave modes appears....