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Wyniki wyszukiwania dla: density functional calculations
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Successive cytotoxicity control by evolutionary surface decorated electronic push-pull green ZnCr-LDH nanostructures: Drug delivery enlargement for targeted breast cancer chemotherapy
PublikacjaThe reason for the increasing bioavailability and biocompatibility of the porous nanomaterials in the presence of different (bio)molecules is still unknown. The role of difference functional groups and their interactions with the potential bioavailability and biocompatibility is of great importance. To investigate the potential contribution of the electronic effects (especially on the surface of the porous nanomaterials) on their...
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Geochemical fractionation of organic matter in the Jurassic-Cretaceous Vaca Muerta shale, Argentina
PublikacjaSeveral studies have indicated the presence of more than one generation of bitumen that could be isolated from rocks through sequential extraction or after demineralization or both. Nabbefeld et al. (2010a) and Holman et al. (2012, 2014) termed bitumen obtained after solvent extraction from the undigested rock as “Bitumen I" and that obtained by extraction after demineralization of rock as “Bitumen II.” The occurrence of different...
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Effect of Polymerization Statistics on the Electronic Properties of Copolymers for Organic Photovoltaics
PublikacjaStatistical block copolymers, composed of donor (D) and acceptor (A) blocks, are a novel type of material for organic photovoltaics (OPVs) devices. In particular a new series of polymers based on PBTZT-stat-BDTT-8, recently developed by Merck, offers high solubility in different solvents, and a high power conversion efficiency (PCE) in different device architectures. Although it is known that the electronic properties of these...
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Electroactive polymer/graphene oxide nanostructured composites; evidence for direct chemical interactions between PEDOT and GOx
PublikacjaThis work concerns electrochemical synthesis of nanocomposites consisting of conducting polymer and reduced graphene oxide (rGOx) as electrode materials for supercapacitors. The electrosynthesis was performed in an aqueous solution of the 3,4-ethylenedioxytiophene (EDOT) monomer and graphene oxide (GOx) without supporting electrolyte. The amount of GOx was optimized to obtain the best electrochemical performance of the nanocomposite...
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Museum Institutions in Monuments - Positive and Negative Aspects of Adaptation: The New Amber Museum and Museum of Science in Gdansk, Poland
PublikacjaThe issue of the creation and location of new museums is a current topic. The decision of where and how to create new museum facilities will impact successful function in the future. Museums are either located in newly designed buildings or in existing buildings. In general, existing buildings adapted for museum use are either formally under conservational protection or not. With regard to museum location in preserved monuments,...
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The KLC Cultures, Tacit Knowledge, and Trust Contribution to Organizational Intelligence Activation
PublikacjaIn this paper, the authors address a new approach to three organizational, functional cultures: knowledge culture, learning culture, and collaboration culture, named together the KLC cultures. Authors claim that the KLC approach in knowledge-driven organizations must be designed and nourished to leverage knowledge and intellectual capital. It is suggested that they are necessary for simultaneous implementation because no one of...
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Measurement cell - current density analysis.
PublikacjaW pracy przedstawiono model celki do pomiarów elektrycznych parametrów szkliwa i innych tkanek zęba. Wyniki otrzymano za pomocą metody elementu skończonego. Wykazano, że możliwa do osiągnięcia dokładność pomiaru jest zdeterminowana przez prąd upływu celki.
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On the use of the cumulative strain energy density for fatigue life assessment in advanced high-strength steels
PublikacjaIn this paper, the applicability of the cumulative strain energy density is explored as a fatigue indicator parameter for advanced high-strength steels subjected to strain-controlled conditions. Firstly, the cyclic stress-strain responses of nine steels, selected from three multiphase families, encompassing different elemental compositions and different heat treatment routes, were studied. Then, the predictive capabilities of the...
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The Effect of Wood Provenance and Density on Cutting Forces While Sawing Scots Pine (Pinus sylvestris L.)
PublikacjaSeveral properties of wood including the cutting power requirements can be correlated to wood density. Therefore, according to the literature, the cutting power requirements (and/or cutting forces) could be computed as a function of the wood specific gravity. This research shows that such an approach, based solely on specific gravity, may be considered a rather rough and imperfect estimate of cutting power. Samples of Scots pine...
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Comparative analysis of numerical with optical soliton solutions of stochastic Gross–Pitaevskii equation in dispersive media
PublikacjaThis article deals with the stochastic Gross–Pitaevskii equation (SGPE) perturbed with multiplicative time noise. The numerical solutions of the governing model are carried out with the proposed stochastic non-standard finite difference (SNSFD) scheme. The stability of the scheme is proved by using the Von-Neumann criteria and the consistency is shown in the mean square sense. To seek exact solutions, we applied the Sardar subequation...
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COMPARATIVE ANALYSIS OF TRANSPORT ORGANIZATION AND FUNCTIONING OF WATER TRAMS IN GDAŃSK, BYDGOSZCZ AND KRAKÓW
PublikacjaThe subject of this work is to identify and juxtapose solutions implemented in transport provided by water trams for the following cities: Gdańsk, Bydgoszcz and Kraków. As a result of the conducted analysis of transport factors, the degree of conformity of project objectives to the actual role of the water tram has been determined. It was found that the Kraków Water Tram (also known as Cracow Water Tram) is characterized by the...
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Preparation and some properties of multiblock copoly(amide-b-amide)s
PublikacjaThe paper concerns the polymers built of oligoamide hard blocks and oligoamide soft blocks (KPAA, formula I). Oligo(laurolactam) (PA12) was used as hard block and the product of reaction of dimerized fatty acid and hexamethylene diamine (PA6,36) was used as a soft one. Effects of molar ratio of these blocks on the following properties of KPAA have been investigated: limiting viscosity number ([2]), degrees of swelling in water...
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The role and importance of WIMAX mobile system as a high-performance data transfer technology in wireless sensor networks for wide area monitoring applications
PublikacjaThe study discuses basic features and functional design of WiMAX Mobile system, based on the IEEE 802.16e (Release 1.5 Rev. 2.0) standard. The analysis has been made in terms of ability to use this system to transmit video stream related to monitoringof large agglomeration areas. What is more, the study includes comparison of technical parameters of WiMAX Mobile system with competitive systems such as: HSPA+ and UMTS-LTE, which...
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Functionality of road safety devices - identification and analysis of factors
PublikacjaRoad safety devices are designed to protect road users from the risk of injury or death. The principal type of restraint is the safety barrier. Deployed on sites with the highest risk of run-off-road accidents, safety barriers are mostly found on bridges, flyovers, central reservations, and on road edges which have fixed obstacles next to them. If properly designed and installed, safety barriers just as other road safety devices,...
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Current situation in Polish nuclear medicine and Polish example of model Nuclear Medicine Centre meeting European Union requirements
PublikacjaNuclear medicine is currently a well-established part of medicine. It is applied in many fields of clinical medicine and science like endocrinology, oncology, cardiology, molecular medicine and engineering, radiopharmacy, physics and information science. Due to its increasing importance and application, several regulation and supervision bodies have been founded to ensure safe usage of radiation and to improve diagnostic and therapeutic...
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A commonly-accessible toolchain for live streaming music events with higher-order ambisonic audio and 4k 360 vision
PublikacjaAn immersive live stream is especially interesting in the ongoing development of telepresence tools, especially in the virtual reality (VR) or mixed reality (MR) domain. This paper explores the remote and immersive way of enabling telepresence for the audience to high-fidelity music performance using freely-available and easily-accessible tools. A functional VR live-streaming toolchain, comprising 360 vision and higher-order ambisonic...
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Rotational Molding of Linear Low-Density Polyethylene Composites Filled with Wheat Bran
PublikacjaApplication of lignocellulosic fillers in the manufacturing of wood polymer composites (WPCs) is a very popular trend of research, however it is still rarely observed in the case of rotational molding. The present study aimed to analyze the impact of wheat bran content (from 2.5 wt.% to 20 wt.%) on the performance of rotationally-molded composites based on a linear low-density polyethylene (LLDPE) matrix. Microscopic structure...
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Charge density wave and crystalline electric field effects in TmNiC2
PublikacjaSingle crystals of TmNiC2 were grown by the optical floating-zone technique and were investigated by x-ray diffraction (XRD), thermal expansion, electrical resistivity, specific heat, and magnetic susceptibility measurements. Single-crystal XRD reveals the formation of a commensurate charge density wave (CDW) characterized by a CDW modulation vector q2c = (0.5, 0.5, 0.5), which is accompanied by a symmetry change from the orthorhombic...
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublikacjaThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Modeling and optimization of chemical-treated torrefaction of wheat straw to improve energy density by response surface methodology
PublikacjaToday, torrefaction is important technique for extending the potential of biomass for improvement of energy density. The independent variables investigated for torrefaction study were temperature, retention time, acid concentration, and particle size. The experiment was designed by central composite design (CCD) method using design expert (version 11). The three dependent variables were higher heating value (HHV), energy enhancement...
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Crossover from charge density wave stabilized antiferromagnetism to superconductivity in Nd1−xLaxNiC2 compounds
PublikacjaThe path from the charge density wave antiferromagnet NdNiC2 to the noncentrosymmetric superconductor LaNiC2 is studied by gradual replacement of Nd by La ions. The evolution of physical properties is explored by structural, magnetic, transport, magnetoresistance, and specific heat measurements. With the substitution of La for Nd, the Peierls temperature is gradually suppressed, which falls within the BCS mean-field relation for...
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Electron-scattering cross sections for selected alkyne molecules: Measurements and calculations
PublikacjaWe report cross-section results from experimental and theoretical studies on electron collisions with 1-butyne (HC≡C–CH2CH3) and acetylene (HC≡CH) molecules and from computations for a propyne (HC≡C–CH3) molecule. Absolute grand -total electron-scattering cross sections (TCSs) were measured at impact energies ranging from about 0.5 to 300 eV using the linear electron-transmission method. The TCS energy curve for 1-butyne has a...
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Functional differential equations
PublikacjaSformułowano dość ogólne warunki dostateczne na to, aby odpowiednio zdefiniowane ciągi monotoniczne były zbieżne do jedynego, w pewnym segmencie, rozwiązania zagadnienia początkowego dla funkcyjnych równań różniczkowych. Omawiane równanie jest ogólne, a np. zwyczajne równania różniczkowe czy równania różniczkowo-całkowe są jego szczególnymi przypadkami.
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Subcritical bifurcation of free elastic shell of biological cluster
PublikacjaIn this paper we will investigate symmetry-breaking bifurcation of equilibrium forms of biological cluster. A biological cluster is a two-dimensional analogue of a gas balloon. The cluster boundary is connected with its kernel by elastic links. The inside part is filled with compressed gas or fluid. Equilibrium forms of biological cluster can be found as solutions of a certain second order ordinary functional-differential equation...
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On weak solutions of boundary value problems within the surface elasticity of Nth order
PublikacjaA study of existence and uniqueness of weak solutions to boundary value problems describing an elastic body with weakly nonlocal surface elasticity is presented. The chosen model incorporates the surface strain energy as a quadratic function of the surface strain tensor and the surface deformation gradients up to Nth order. The virtual work principle, extended for higher‐order strain gradient media, serves as a basis for defining...
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Impact of ITS services on the safety and efficiency of road traffic
PublikacjaThis paper describes the project entitled: “Impact of the use of Intelligent Transport Systems on the level of road safety” (agreement no. DZP/RID-I-41/7/NCBR/2016), implemented as part of the Road Innovations Development (RID) programme, funded by the National Centre for Research and Development and the General Directorate for National Roads and Motorways (GDDKiA). The project is run by a consortium comprising the Motor Transport...
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Beta-galactosidases from a psychrotolerant Arthrobacter isolates and their potential use
PublikacjaEnzymes from extremophiles, especially psychrophiles and psychrotolerant microorganisms are currently intensively studied because of their unusual structural and functional properties. One of these enzymes is a cold-adapted - galactosidase (EC 3.2.1.23) which catalyzes the hydrolysis of - 1,4-glycosidic bonds in -galactosides. The most common - galactoside is lactose, a disaccharide which makes up 2-7% of milk. The majority of...
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Representation of magnetic hysteresis in single-phase transformer for circuit simulations
PublikacjaThe paper presents a mathematical model for the hysteresis phenomenon in a multi-winding single-phase core type transformer. In the circuit transformer model, it is assumed that there is a flux common Φ to all windings as nonlinear and hysteretic function of the total currents Θ (Ampere turns) of all windings. To simulate magnetic behaviour of the iron core the feedback scalar Preisach model of hysteresis is developed. The Preisach...
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Saccharides
PublikacjaSaccharides are widely distributed in nature as the major component of fruits and vegetables (primarily monosaccharides), milk and malt (mainly disaccharides), and grains (mostly polysaccharides). They are an important source of energy, structural material, as well as flavor and taste factors. Molecules of this class of compounds contain mainly carbon, hydrogen, and oxygen atoms; however, most natural saccha- rides do not have...
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Validated GC–MS method for determination of bisphenol a and its five analogues in dietary and nutritional supplements
PublikacjaBisphenol A (BPA) and its analogues showing structural and functional similarity to BPA are commonly applied in various industrial applications and thus are becoming ubiquitous in the environment. At the same time there is increasing scientific evidence that exposure to these chemicals may lead to adverse health effects in human and wildlife. In recent years dietary and nutritional supplements dedicated for athletes have become...
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Acid-aided epoxy-amine curing reaction as reflected in epoxy/Fe3O4 nanocomposites: Chemistry, mechanism, and fracture behavior
PublikacjaThis work seeks to answer the question whether or not the presence of acid functional groups accelerate epoxyamine curing reaction. Epoxy/Fe3O4 nanocomposite was considered as a case, where discussions are based on chemistry, mechanism behind curing reactions and fracture behavior influenced by acid assistance to crosslinking. Fe3O4 magnetic nanoparticles (MNPs) with nanosilica decorative layer (B-MNP) were synthesized and subsequently...
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Antioxidant and antimicrobial activity of fermented beverages obtained from fruit pomace
PublikacjaFruit pomace should not be considered as a waste product but as a by-product as it contains a lot of valuable components such as dietary fiber, bioactive compounds and a source of nutrients. The reasonable way to utilize these by-products, both fresh or dried, could be the fermentation of its extracts, leading to beverages with functional properties. In our research, we checked the possibility of using chokeberry, apple and...
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Individual Resources and Intercultural Interactions
PublikacjaThe work environment in multinational corporations (MNCs) is specific and demanding including intercultural interactions with co-workers and clients and using a foreign language. Some individual resources can help in dealing with these circumstances. Individual resources refer to personal dispositions, competencies and prior experiences. With regard to previous studies, a caravan of personal resources, namely Psychological Capital...
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Corrosion Inhibition Mechanism and Efficiency Differentiation of Dihydroxybenzene Isomers Towards Aluminum Alloy 5754 in Alkaline Media
PublikacjaThe selection of efficient corrosion inhibitors requires detailed knowledge regarding the interaction mechanism, which depends on the type and amount of functional groups within the inhibitor molecule. The position of functional groups between different isomers is often overlooked, but is no less important, since factors like steric hinderance may significantly affect the adsorption mechanism. In this study, we have presented how...
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Enzyme-conjugated MXene nanocomposites for biosensing and biocatalysis acuities
PublikacjaEngineered two-dimensional (2-D) MXenes-based materials with tunable characteristics and multi-functionalities have brought up new paradigms in the biosensing and catalysis of chemical compounds. The profusion of electroactive functional moieties on the surface of few/multi-layer MXenes facilitates their ability to retain biomolecules such as enzymes resulting in unique dimensions for bioanalytical and biosensing applications....
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Charge density wave, enhanced mobility, and large nonsaturating magnetoresistance across the magnetic states of HoNiC2 and ErNiC2
PublikacjaWe report on magnetotransport and thermoelectric properties of two ternary carbides HoNiC2 and ErNiC2 hosting both charge density wave and long-range magnetic order. In the charge density wave state, both compounds show relatively large magnetoresistance MR ≈ 150% in HoNiC2 and ≈ 70%in ErNiC2 at a magnetic field of 9 T and temperature as low as 2 K. This positive field-linear magnetoresistance shows no signatures of saturation....
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Determinants of the surface quality, density and dimensional correctness in selective laser melting of the Ti-13Zr-13Nb alloy
PublikacjaSelective laser melting is widely used for custom-designed elements. Successful manufacturing depends on laser treatment parameters and material features. This research aimed to determine the effects of laser power, scan time and hatch distance on surface quality, relative density and dimensional precision for cuboids made of the Ti-13Zr-13Nb alloy. The influence of energy density, energy flux and pre-heating was seen to be decisive...
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Computed vibrational excitation ofCF4by low-energy electrons and positrons: Comparing calculations and experiments
PublikacjaQuantum calculations for the excitation of the asymmetric modes of the CF4 target gas, ν3 and ν4, by impact of low-energy electrons and positrons are carried out in the energy range around 1 eV and are compared with recent experimental findings. The similarities and differences between the two types of projectiles, and the two different modes, are analyzed and discussed vis à vis the present accord with the experimental results.
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MANDARIN PEEL AS AN AUSPICIOUS FUNCTIONAL FILLER FOR POLYMER COMPOSITES
PublikacjaThis work describes the application of mandarin peel (MP) as a waste filler for high-density polyethylene (HDPE) composites. The main goal was to investigate the impact of the filler's essential oils, which include multiple terpenes and terpenoids, on the processing, physicochemical, mechanical, and thermal properties of the composites as a function of different filler content (1 – 10 wt%), as well as its effect on the color and...
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Maximum transportation growth in energy and solute particles in Prandtl martial across a vertical 3D-heated surface: Simulations achieved using by finite element approach
PublikacjaThe goal of this study is to determine the maximum energy and solute particles' transportation growth in a 3D-heated region of Prandtl martial through a dynamic magnetic field. The effects of this field on the properties of solvent molecules and heat conduction are studied. A correctly stated functional method and a finite element approach are comparable to a certain type of differential equations. In order demonstrate the effects...
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Stanowisko wizualizacji zdarzeń w systemie STRADAR – realizacja i funkcje dla operatora
PublikacjaIt is crucial for the Border Guard to be equipped with a communication-teleinformatic infrastructure designed to support them in efficient realization of their operational tasks. STRADAR – a system which results are presented in this paper – is such an infrastructure. It is a distributed solution for the maritime division of the border guard. The system, with the use of a network of sensors located in both stationary and mobile...
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DAB vs DAB+ Radio Broadcasting: a Subjective Comparative Study
PublikacjaIn the age of digital media, delivering high quality content to consumers is one of the most demanding tasks. There exist numerous broadcasting standards, with different pros and cons, and the DAB/DAB (Digital Audio Broadcasting) system is one of the most popular among them. From an engineer’s perspective, efficient resource management under limited bandwidth conditions has always been a challenge. In this paper a subjective quality...
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A decision-making system supporting selection of commanded outputs for a ship's propulsion system with a controllable pitch propeller
PublikacjaThe ship's operators have to make decisions regarding the values of commanded outputs (commanded engine speed and pitch ratio) which ensure maximum vessel speed and minimum fuel consumption. Obviously, the presented decision problems are opposed. Therefore, there is a need for a compromise solution that enables more flexible vessel voyage planning. This paper deals with development of a computer-aided system supporting selection...
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A method to assess transverse vibration energy of ship propeller shaft for diagnostic purposes
PublikacjaThe article discusses a key problem of ship propulsion system vibration diagnostics, which concerns assessing this part of mechanical energy transmitted from the main engine to the ship propeller which is dissipated due to propeller shaft vibration. A simplified calculation model is proposed which allows the total energy of the generated torsional vibration to be assessed from the shaft deflection amplitude measured at the mind-span...
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Hydro Lubricants: Water-based lubricants for hydropower applications
PublikacjaSeveral different base oil types exist in the market including mineral and synthetic oils (e.g. polyalphaolefins, ester, polyglycol, etc.) and are currently widely in use. Although synthetic oils have drawn great attention over the past few decades in terms of their tribological benefits, mineral oils are still widely used in hydropower applications due primarily to their low cost and easy miscibility with other oils. However,...
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MIASTO PORTOWE – STRUKTURA, WYZWANIA FUNKCJONALNE I MODELE ROZWOJU
PublikacjaPort cities are having different spatial structure than those located inlands. As a result of their seaside location, they face specific administrative and functional problems on a daily basis. In the economic and settlement structure of the country, they usually play the role of a "gate" through which streams of cargo are distributed further over the whole hinterland. It is the transport and logistics function of port cities,...
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Symmetry-Breaking Bifurcation for Free Elastic Shell of Biological Cluster, Part 2
PublikacjaWe will be concerned with a two-dimensional mathematical model for a free elastic shell of biological cluster. The cluster boundary is connected with its kernel by elastic links. The inside part is filled with compressed gas or fluid. Equilibrium forms of the shell of biological cluster may be found as solutions of a certain nonlinear functional-differential equation with several physical parameters. For each multiparameter this...
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Measures of Functional Reliability of Two-Lane Highways
PublikacjaRural two-lane highways are the most common road type both in Poland and globally. In terms of kilometres, their length is by far greater than that of motorways and expressways. They are roads of one carriageway for each direction, which makes the overtaking of slower vehicles possible only when there is a gap in the stream of traffic moving from the opposite direction. Motorways and express roads are dual carriageways that are...
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Towards Increasing Density of Relations in Category Graphs
PublikacjaIn the chapter we propose methods for identifying new associations between Wikipedia categories. The first method is based on Bag-of-Words (BOW) representation of Wikipedia articles. Using similarity of the articles belonging to different categories allows to calculate the information about categories similarity. The second method is based on average scores given to categories while categorizing documents by our dedicated score-based...
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Box-spline histograms for multivariate density estimation
PublikacjaW pracy podano ujednoliconą konstrukcję estymatora pochodnych gęstości oraz stałych asymptotycznych dla tej gęstości. Posłużono się histogramami box-splinowymi. Skorzystano z twierdzeń asymptotycznych dla operatorów związanych z tymi estymatorami.