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Wyniki wyszukiwania dla: supramolecular junction
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Some new soliton solutions to the higher dimensional Burger–Huxley and Shallow water waves equation with couple of integration architectonic
PublikacjaIn this paper, we retrieve some traveling wave, periodic solutions, bell shaped, rational, kink and anti-kink type and Jacobi elliptic functions of Burger’s equation and Shallow water wave equation with the aid of various integration schemes like improved -expansion scheme and Jacobi elliptic function method respectively. We also present our solutions graphically in various dimensions.
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Toward a universal Embedded-Atom Method: II. A set of transferable denisty and dimmer referenced embedding energy functions for all elements of the periodic table as tool for removing two gauge degrees of freedom in EAM potentials
PublikacjaZestaw kluczowych właściwości homodwuatomowych cząsteczek o Z ≤ 103 (równowagowa odległość między atomami re, energia dysocjacji DO, Liczba falowa drgań ωe) zostały zestawione na bazie dostępnych danych eksperymantalnych oraz obliczeń za pomocą teorii funkcjonałów gęstości elektronowej B3LYP/SBKJC.
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Self-assemblies of novel magnesium porphyrins mimicking natural chlorosomal bacteriochlorophylls
PublikacjaSelf-assembling porphyrins are promising materials to mimic natural bacteriochlorophylls c, d, or e encountered in the chlorosomes of photosynthetic bacteria. We have studied four novel magnesium porphyrins mimicking this chlorosomal antenna system. In contrast to previous articles reporting synthetic Zn-porphyrins, our studies focus on porphyrins with Mg as the central atom, which mimic more closely the natural bacteriochlorophylls....
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The evaluation of the vibration measurement usability of electronic indicator lemag "premet C"
PublikacjaThe measuring possibilities of modern compression and combustion pressure analyzers are extended with additional functions. One of them is parallel to the pressure measurement, the measurement of vibrations in the region of the cylinder head. The paper presents a general assessment of the vibration measurement function of the electronic indicator LEMAG "PREMET C". This feature is very rarely offered by manufacturers of these devices....
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Zapiski pożeracza ksiąg : o rodzajach i funkcjach marginaliów na podstawie notatek Jana Bernarda Bonifacia = Marginalia of the book devourer : about the kind and functions of marginal notes on the basic of Giovanni Bernardino Bonifacio's annotations.
PublikacjaThe aim of this study is to show the rich variety of marginalia written in the books by the hand of their owner, Giovanni Bernardo Bonifacio (1517—1597)‘, also known as "helluo librorum", a "book devourer". Most of the author’s attention has been focused upon recognizing the types and functions of the hand written comments left in the margins of the books by the Italian humanist. The role of the annotations has been seen as...
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Zapiski pożeracza ksiąg : o rodzajach i funkcjach marginaliów na podstawie notatek Jana Bernarda Bonifacia = Marginalia of the book devourer : about the kind and functions of marginal notes on the basic of Giovanni Bernardino Bonifacio's annotations.
PublikacjaThe aim of this study is to show the rich variety of marginalia written in the books by the hand of their owner, Giovanni Bernardo Bonifacio (1517—1597)‘, also known as "helluo librorum", a "book devourer". Most of the author’s attention has been focused upon recognizing the types and functions of the hand written comments left in the margins of the books by the Italian humanist. The role of the annotations has been seen as a...
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Secure Italian domination in graphs
PublikacjaAn Italian dominating function (IDF) on a graph G is a function f:V(G)→{0,1,2} such that for every vertex v with f(v)=0, the total weight of f assigned to the neighbours of v is at least two, i.e., ∑u∈NG(v)f(u)≥2. For any function f:V(G)→{0,1,2} and any pair of adjacent vertices with f(v)=0 and u with f(u)>0, the function fu→v is defined by fu→v(v)=1, fu→v(u)=f(u)−1 and fu→v(x)=f(x) whenever x∈V(G)∖{u,v}. A secure Italian dominating...
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Impact of Temperature and Nanoparticle Concentration on Turbulent Forced Convective Heat Transfer of Nanofluids
PublikacjaTheoretical analysis of the influence of nanoparticles and temperature on the average Nusselt (Nu) number and the average heat transfer coefficient (HTC) during the turbulent flow of nanofluid in a horizontal, round tube was carried out. The Nu number is a function of the Reynolds (Re) number and the Prandtl (Pr) number, which in turn are functions of the thermophysical properties of the liquid and the flow conditions. On the other...
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Constant-Factor Approximation Algorithm for Binary Search in Trees with Monotonic Query Times
PublikacjaWe consider a generalization of binary search in linear orders to the domain of weighted trees. The goal is to design an adaptive search strategy whose aim is to locate an unknown target vertex of a given tree. Each query to a vertex v incurs a non-negative cost ω(v) (that can be interpreted as the duration of the query) and returns a feedback that either v is the target or the edge incident to v is given that is on the path towards...
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Basic Hand Gestures Classification Based on Surface Electromyography
PublikacjaThis paper presents an innovative classification system for hand gestures using 2-channel surface electromyography analysis. The system developed uses the Support Vector Machine classifier, for which the kernel function and parameter optimisation are conducted additionally by the Cuckoo Search swarm algorithm. The system developed is compared with standard Support Vector Machine classifiers with various kernel functions. The average...
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Propagation of initially sawtooth periodic and impulsive signals in a quasi-isentropic magnetic gas
PublikacjaThe characteristics of propagation of sawtooth periodic and impulsive signals at a transducer are analytically studied in this work. A plasma under consideration is motionless and uniform at equilibrium, and its perturbations are described by a system of ideal magnetohydrodynamic equations. Some generic heating/cooling function, which in turn depends on equilibrium thermodynamic parameters, may destroy adiabaticity of a flow and...
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Novel Analytic-Numerical Model of Free Convection: with Leading Edge Considered
PublikacjaA novel solution of the free convection boundary problem is represented in analytical form for velocity and temperature for an isothermal vertical plate, as an example. These fields are built as a Taylor Series in the x coordinate with coefficients as functions of the vertical coordinate (y). We restrict ourselves by cubic approximation for both functions. The basic Navier-Stokes and Fourier-Kirchhoff equations and boundary conditions...
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Investigations of the Methods of Time Delay Measurement of Stochastic Signals Using Cross-correlation with the Hilbert Transform
PublikacjaThe article presents the results of simulation studies of four methods of estimating time delay for random signals using cross-correlation with the Hilbert Transform. Selected models of mutually delayed stochastic signals were used in the simulations, corresponding to the signals obtained from scintillation detectors in radioisotope measurements of liquid-gas two-phase flow. Standard deviations of the values of the individual functions...
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Studies on the influence of β-cyclodextrin derivatives on the physical stability of famotidine
PublikacjaThe usage of Fourier transform infrared spectroscopy, near infrared spectroscopy, differential scanning calorimetry and microscopy is presented in this work focused on the exploration of the effect of CD on the physical stability of famotidine (FAM). The most significant information was achieved by analysis of the second derivatives ofnear infrared (NIR) spectra recorded. Changes in the shape of spectra derivatives allow...
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Problematyka dotycząca zapewnienia fotostabilności substancji leczniczych w postaciach leku
PublikacjaUV and visible radiation may influence on the stability of some active pharmaceutical ingredients and in a consequence destabilizes such medicinal products, causes changesin its physicochemical properties also with negative pharmacological and sometimes even toxic effects. For this reason it is important to conduct the routine testing photostability. The knowledge of chemistry and technology as well as some methods of...
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Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
PublikacjaThis article presents crystal structures of chalcogenadiazolecarboxylic acids bearing both a hydrogen and a chalcogen bond donor. The selected molecules varied in the size of the aromatic unit, the chalcogen atom and/or the position of the carboxyl group in the core structure. The most common synthons in their lattice are "R" _"2" ^"2" (8) self-complementary acid dimers or four-membered [Ch···N]2 rings. Supramolecular synthons...
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A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation
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Determining required safety integrity level
PublikacjaOne of the most important stage of technical system functional safety analysis is defining the safety-related functions as well as determining safety integrity level (SIL) for each defined function. A properly carried out hazard identyfication process is the necessary condition for correct definition of the safety-related functions. Determining the safety integrity level (SIL) is based on risk assessment taking into account risk...
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New Approach to Arc Fitting for Railway Track Realignment
PublikacjaThis article presents a new method of arc fitting for railway track realignment. The theoretical foundations are presented, along with a detailed algorithm of the iterative computational process. This method is based on solving a set of linearized pseudo-observation equations. The formulas of the functional model of the fitting problem were derived, and a special form of objective function is proposed. An iterative method for optimization...
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Generalized Savitzky–Golay filters for identification of nonstationary systems
PublikacjaThe problem of identification of nonstationary systems using noncausal estimation schemes is consid-ered and a new class of identification algorithms, combining the basis functions approach with localestimationtechnique,isdescribed.Unliketheclassicalbasisfunctionestimationschemes,theproposedlocal basis function estimators are not used to obtain interval approximations of the parametertrajectory, but provide a sequence of point...
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Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine
PublikacjaSemiconductor|melanin interfaces have received increasingly more attention in the fields of photocatalysis and applied electrochemistry because of their facile synthesis, unique electrical properties, and strong capability toward photosensitization. In this work, we describe the electropolymerization of quinone-rich polydopamine (PDA) on the surface of hydrogenated TiO2 nanotubes with enhanced photoactivity in the visible spectrum....
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Estimation of a smoothness parameter by spline wavelets
PublikacjaWe consider the smoothness parameter s*(f) of a function f∈L2(R) in terms of Besov spaces. The existing results on estimation of smoothness [K. Dziedziul, M. Kucharska and B. Wolnik, J. Nonparametric Statist. 23 (2011)] employ the Haar basis and are limited to the case 0
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The clamping selection method to reduce the vibration of large-size workpieces during the face milling process
PublikacjaThe article introduces a method for selecting the best clamping conditions to obtain vibration reduction during milling of large-size workpiece. It is based on experimental modal analysis performed for a set of assumed, fixing conditions of a considered workpiece to identify Frequency Response Functions (FRFs) for each tightening torque of the mounting screws. Simulated plots of periodically changing nominal cutting forces are...
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WHY SHOULD WE ADOPT NON-USED ATTICS OF MONUMENTAL SACRAL CATHOLIC CHURCHES FOR SECULAR PURPOSES?
PublikacjaA motive for adapting the desecrated churches to new purposes is a broadly discussed matter, progressively better investigated and defined. Is it advisable to introduce a new, permanent function, complementary to the sacred one in the historical ecclesial buildings? This paper presents the results of the research on benefits of adapting the non-utilized attics of monumental churches still performing their sacred function, located...
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Hypericum alpestre extract exhibits in vitro and in vivo anticancer properties by regulating the cellular antioxidant system and metabolic pathway of L‐arginine
PublikacjaConventional treatment methods are not effective enough to fight the rapid increase in cancer cases. The interest is increasing in the investigation of herbal sources for the development of new anticancer therapeutics. This study aims to investigate the antitumor capacity of Hypericum alpestre (H. alpestre) extract in vitro and in vivo, either alone or in combination with the inhibitors of the L‐arginine/polyamine/nitric oxide...
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Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids
PublikacjaThe cocrystallization of salicylamide (2-hydroxybenzamide, SMD) and ethenzamide (2-ethoxybenzamide, EMD) with aromatic carboxylic acids was examined both experimentally and theoretically. The supramolecular synthesis taking advantage of the droplet evaporative crystallization (DEC) technique was combined with powder diffraction and vibrational spectroscopy as the analytical tools. This led to identification of eleven new cocrystals...
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Deep Eutectic Solvents and Their Uses for Air Purification
PublikacjaChemical compounds released into the air by the activities of industrial plants and emitted from many other sources, including in households (paints, waxes, cosmetics, disinfectants, plastic (PVC) flooring), may affect the environment and human health. Thus, air purification is an important issue in the context of caring for the condition of the environment. Deep eutectic solvents (DESs) as liquids with environmentally friendly...
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Systems engineering approach to functional safety and cyber security of industrial critical installations
PublikacjaThis chapter addresses the systems engineering approach to integrated functional safety and cybersecurity analysis and management regarding selected references, standards and requirements concerning critical installations and their industrial automation and control system (IACS). The objective is to mitigate the vulnerability of industrial installations that include the information technology (IT) and the operational technology...
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Systems engineering approach to functional safety and cyber security of industrial critical installations
PublikacjaThis chapter addresses the systems engineering approach to integrated functional safety and cybersecurity analysis and management regarding selected references, standards and requirements concerning critical installations and their industrial automation and control system (IACS). The objective is to mitigate the vulnerability of industrial installations that include the information technology (IT) and the operational technology...
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Simulation of Wave Propagation in Media Described by Fractional-Order Models
PublikacjaIn this paper, algorithms for simulation of the wave propagation in electromagnetic media described by fractional-order (FO) models (FOMs) are presented. Initially, fractional calculus and FO Maxwell's equations are introduced. The problem of the wave propagation is formulated for media described by FOMs. Then, algorithms for simulation of the non-monochromatic wave propagation are presented which employ computations in the time...
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Minimum drag shape bodies moving in inviscid fluid - revisited
PublikacjaThis paper presents the classic approach to minimum drag shape body problem, moving at hypersonic speeds, leading to famous power law shapes with value of the exponent of 3/4. Two- and three-dimensional cases are considered. Furthermore, an exact pseudo solution is given and its uselessness is discussed. Two new solutions are introduced, namely an approximate solution due to form of the functional and solution by means of optimisation...
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An Improvement of Global Complex Roots and Poles Finding Algorithm for Propagation and Radiation Problems
PublikacjaAn improvement of the recently developed global roots finding algorithm has been proposed. The modification allows to shorten the computational time by reducing the number of function calls. Moreover, both versions of the algorithms (standard and modified) have been tested for numerically defined functions obtained from spectral domain approach and field matching method. The tests have been performed for three simple microwave...
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Approximate solution for Euler equations of stratified water via numerical solution of coupled KdV system
PublikacjaWe consider Euler equations with stratified background state that is valid for internal water waves. The solution of the initial-boundary problem for Boussinesq approximation in the waveguide mode is presented in terms of the stream function. The orthogonal eigenfunctions describe a vertical shape of the internal wave modes and satisfy a Sturm-Liouville problem. The horizontal profile is defined by a coupled KdV system which is...
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The atlas of inequality aversion: theory and empirical evidence on 55 countries from the Luxembourg Income Study database
PublikacjaResearch background: In the distributive analysis, the constant relative inequality aversion utility function is a standard tool for ethical judgements of income distributions. The sole parameter ε of this function expresses a society’s aversion to inequality. However, the profession has not committed to the range of ε. When assessing inequality and other welfare characteristics, analysts assume an arbitrary level of ε, common...
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Physics-guided neural networks (PGNNs) to solve differential equations for spatial analysis
PublikacjaNumerous examples of physically unjustified neural networks, despite satisfactory performance, generate contradictions with logic and lead to many inaccuracies in the final applications. One of the methods to justify the typical black-box model already at the training stage and lead to many inaccuracies in the final applications. One of the methods to justify the typical black-box model already at the training stage involves extending...
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Photophysics of Soret-Excited Tin(IV) Porphyrins in Solution
PublikacjaThe photophysics of low-chlorin tin(IV) tetraphenylporphyrin dihydroxide, a core building block for axially substituted supramolecular tin porphyrin constructs, has been studied in a variety of hydrogen-bonding, nonpolar, and aprotic polar solvents using steady-state, nanosecond, and femtosecond time-resolved emission, and femtosecond time-resolved absorption methods. In hydrogen-bonding solvents the metalloporphyrin exists as...
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Removal of nonsteroidal anti-inflammatory drugs and analgesics from wastewater by adsorption on cross-linked β-cyclodextrin
PublikacjaWe present a method using the material in the form of cross-linked β-cyclodextrin (CD) showing high efficiency in the simultaneous removal of hazardous pollutants from sewage, such as diclofenac (DIC), ibuprofen (IBU), ketoprofen (KETO), naproxen (NAPR), salicylic acid (SALI) and tramadol (TRAM). The material is stable and particularly easy to regenerate. The sorbent probably remembers the shape of the contaminants, which increases...
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Effect of Temperature and Nanoparticle Concentration on Free Convective Heat Transfer of Nanofluids
PublikacjaA theoretical analysis of the influence of temperature and nanoparticle concentration on free convection heat transfer from a horizontal tube immersed in an unbounded nanofluid was presented. The Nusselt (Nu) number and heat transfer coefficient were parameters of the intensity of the convective heat transfer. For free convection, the Nu number was a function of the Rayleigh (Ra) number and Prandtl (Pr) number. The Rayleigh (Ra)...
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Pedestrian on footbridges, vertical loads and response
PublikacjaThe paper is a synthesis of the experimental and theoretical investigations on dynamics of pedestrian bridges under vertical load The subject is divided into four issues.1) The pedestrian as a vertical dynamic load on footbridges, theoretic load function for walking and crouching.2) Crowd walking on the footbridge - pedestrian flow.3) Vertical lock-in effect.4) Response of the footbridge - numeric and side test results, -...
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Theoretical study of highly-excited states of KRb molecule
PublikacjaSemi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...
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Comments on various extensions of the Riemann–Liouville fractional derivatives : About the Leibniz and chain rule properties
PublikacjaStarting from the Riemann–Liouville derivative, many authors have built their own notion of fractional derivative in order to avoid some classical difficulties like a non zero derivative for a constant function or a rather complicated analogue of the Leibniz relation. Discussing in full generality the existence of such operator over continuous functions, we derive some obstruction Lemma which can be used to prove the triviality...
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Identification of Fast Time-varying Communication Channels Using the Preestimation Technique
PublikacjaAccurate identification of stochastic systems with fast-varying parameters is a challenging task which cannot be accomplished using model-free estimation methods, such as weighted least squares, which assume only that system coefficients can be regarded as locally constant. The current state-of-the-art solutions are based on the assumption that system parameters can be locally approximated by a linear combination of appropriately...
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublikacjaThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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Time Delay Estimation in Two-Phase Flow Investigation Using the γ-Ray Attenuation Technique.
PublikacjaTime delay estimation is an important research question having many applications in a range of technologies. Measurement of a two-phase flow in a pipeline or an open channel using radioisotopes is an example of such application. For instance, the determination of velocity of dispersed phase in that case is based on estimation of the time delay between two stochastic signals provided by scintillation probes. The proper analysis...
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The role of ergonomics in architectonic and marketing operations
PublikacjaThe 20th century, along with the development of mass culture, brought a rapid increase of marketing communications significance. At first, this branch of art had an informational function associated with advertising operations. Nowadays, an increase of marketing specialists’ interest in influencing a human being by the space they stay in may be observed. Ergonomics plays an important role in such operations. The aim of this article...
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Framework for RIDM within functional safety management process
PublikacjaThe functional safety management in life cycle is a complex process starting with identifying hazards and defining safety-related functions (SRFs) with risk assessment oriented at determining the safety integrity level. Another element of such life cycle is a verification of required SIL for designed safety-related system which implements safety function. Due to complexity of the problem, to overcome difficulties in safety-related...
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Self-Adaptive Mesh Generator for Global Complex Roots and Poles Finding Algorithm
PublikacjaIn any global method of searching for roots and poles, increasing the number of samples increases the chances of finding them precisely in a given area. However, the global complex roots and poles finding algorithm (GRPF) (as one of the few) has direct control over the accuracy of the results. In addition, this algorithm has a simple condition for finding all roots and poles in a given area: it only requires a sufficiently dense...
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Educational and cognitive aspects of adaptation of nonuse spaces in monumental sacral objects.
PublikacjaThe area of attics and towers in historic churches in Europe are yet quite inaccessible places for visitors, shrouded in the atmosphere of mysticism, hiding many secrets. Introduction of the new public function into the non-used zones of the monumental sacral objects has many aspects including educational and cognitive ones which are discussed in the following article. The article indicates items that can be found in the zone above...
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Key logistics processes in project management based on organisation of an international training session-case study
PublikacjaImprovement of processes, including the logistics processes forms one of the essential aspects of modern business entities functioning. Search for the solutions allowing for quicker and less costly method of realisation of particular activities in highly significant, especially in the conditions of a dynamically changing environment in which the organisations have to function. It is a natural field occuring principally both in...
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On description of periodic magnetosonic perturbations in a quasi-isentropic plasma with mechanical and thermal losses and electrical resistivity
PublikacjaMagnetosonic periodic perturbations in a uniform and infinite plasma model are considered. Damping due to compressional viscosity, electrical resistivity, and thermal conduction are taken into account, as well as some heating–cooling function, which may destroy the isentropicity of wave perturbations. The wave vector forms arbitrary angle h with the equilibrium straight magnetic field, and all perturbations are functions...