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Search results for: DENSITY FUNCTIONAL THEORY
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Determining and verifying the safety integrity level of the safety instrumented systems with the uncertainty and security aspects
PublicationSafety and security aspects consist of two different group of functional requirements for the control and protection systems. In the paper it is proposed that the security analysis results can be used as a factor increasing or decreasing the risk level. It concerns a process of determining required safety integrity level of given safety functions. The authors propose a new approach for functional safety risk analysis. In this case...
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Magnetic switching of Kerker scattering in spherical microresonators
PublicationMagneto-optical materials have become a key tool in functional nanophotonics, mainly due to their ability to offer active tuning between two different operational states in subwavelength structures. In the long-wavelength limit, such states may be considered as the directional forward- and back-scattering operations, due to the interplay between magnetic and electric dipolar modes, which act as equivalent Huygens sources. In this...
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On Applications of Fractional Derivatives in Electromagnetic Theory
PublicationIn this paper, concepts of fractional-order (FO) derivatives are analysed from the point of view of applications in the electromagnetic theory. The mathematical problems related to the FO generalization of Maxwell's equations are investigated. The most popular formulations of the fractional derivatives, i.e., Riemann-Liouville, Caputo, Grünwald-Letnikov and Marchaud definitions, are considered. Properties of these derivatives are...
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Current risk analysis and management issues in technical systems.
PublicationDealing with the reliability and safety of industrial hazardous plants requires taking into account relevant interdisciplinary scientific knowledge and some existing approaches based on so-called good engineering practice, also those included in the international standards and guidelines. In this article an approach is proposed how to integrate the functional safety concept with information security aspects in the design and management...
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Working in harmony with nature. Green office buildings in a present-day city
PublicationMetropolis - as main point of people's migration, mostly because of work, have to face sustainable development as a strategy for the near future. This article describes possible ways leading to the best office building concepts in the design process. Searching for a workspace in harmony with nature is one of the aspects of a balanced development. The challenge is to create functional, compact, environmentally friendly and healthy...
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Estimation of the smoothness of density
PublicationZdefiniowano parametr gładkości w klasach Biesowa. Skonstruowano estymator gładkości.
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Compressible gas density measurement by means of Fourier analysis of interferograms
PublicationThis paper describes a method for nonintrusive compressible gas density measurement by means of automated analysis of interferograms using FFT (Fast Fourier Transform), and its implementation using DFT (Discrete Fourier Transform), that does make this measurement technique a fairly valuable and accessible experimental method. The presented approach makes it possible to use the finite fringe setting of the interferometer, thus reducing...
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Field-induced suppression of charge density wave in GdNiC2
PublicationWe report the specific heat, magnetic, magnetotransport, and galvanomagnetic properties of polycrystalline GdNiC 2 . In the intermediate temperature region above T N = 20 K, we observe large negative magnetoresistance due to Zeeman splitting of the electronic bands and partial destruction of a charge density wave ground state. Our magnetoresistance and Hall measurements show that at low temperatures a magnetic field-induced transformation from...
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Cast polyurethanes obtained from reactive recovered polyol intermediates via crude glycerine decomposition process
PublicationIn this work, the possibility of applying intermediates from polyurethane waste recycling in polyurethane synthesis was presented. Polyurethanes were synthesised in a two-step method using a mixture of petrochemical polyol and glycerolysate, used as a reactive component, 4,4-diphenylmethane diisocyanate (MDI) and 1,4-buthanediol (BD). Glycerolysates were produced during decomposition of polyurethane elastomer by crude glycerine...
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Fast Basis Function Estimators for Identification of Nonstationary Stochastic Processes
PublicationThe problem of identification of a linear nonsta-tionary stochastic process is considered and solved using theapproach based on functional series approximation of time-varying parameter trajectories. The proposed fast basis func-tion estimators are computationally attractive and yield resultsthat are better than those provided by the local least squaresalgorithms. It is shown that two...
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Module structure in Conley theory with some applications
PublicationA multiplicative structure in the cohomological versjon of Conley index is described . In the case of equivariant flows we apply the normalization procedure known from equivariant degree theory and we propose a new continuation invariant. The theory is then applied to obtain a mountain pass type theorem. Another application is a result on multiple bifurcations for some elliptic PDE.
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Applying of Doped Graphene Oxide Coatings for Corrosion Prevention
PublicationINTRODUCTION Graphene is a carbonaceous material characterized by extraordinary properties (high electron mobility, high surface area, high mechanical strength of 1100 GPa, very dense network hindering the passage of even the smallest helium atoms) [1]. Therefore, it found many applications, also as an anti-corrosive layer [2]. Electrophoretic Deposition (EPD) is one of the methods to deposit coatings. However, due to slight solubility...
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Charge density wave and large nonsaturating magnetoresistance in YNiC2 and LuNiC2
PublicationWe report a study of physical properties of two quasi-low-dimensional metals YNiC2 and LuNiC2 including the investigation of transport, magnetotransport, galvanomagnetic, and specific heat properties. In YNiC2 we reveal two subsequent transitions associated with the formation of weakly coupled charge density wave at TCDW=318K and its locking in with the lattice at T1=275K. These characteristic temperatures follow the previously...
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Partial inhibition of borohydride hydrolysis using porous activated carbon as an effective method to improve the electrocatalytic activity of the DBFC anode
PublicationCarbon materials are commonly used catalyst supports in various types of fuel cells. Due to the possibility of designing their properties, they seem to be attractive and functional additives. In Direct Borohydride Fuel Cells (DBFCs), the electrooxidation reaction of borohydride competes with the undesirable hydrolysis reaction, therefore our work aimed to modify anodes based on a multi-component hydrogen storage alloy with a small...
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Magnetism and charge density waves in RNiC2(R=Ce,Pr,Nd)
PublicationWe have compared the magnetic, transport, galvanomagnetic, and specific-heat properties of CeNiC2, PrNiC2, and NdNiC2 to study the interplay between charge density waves (CDW) and magnetism in these compounds. The negative magnetoresistance in NdNiC2 is discussed in terms of the partial destruction of charge density waves and an irreversible phase transition stabilized by the field-induced ferromagnetic transformation is reported....
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Structure of the Resource Theory of Quantum Coherence
PublicationQuantum coherence is an essential feature of quantum mechanics which is responsible for the departure between the classical and quantum world. The recently established resource theory of quantum coherence studies possible quantum technological applications of quantum coherence, and limitations that arise if one is lacking the ability to establish superpositions. An important open problem in this context is a simple characterization...
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On Nonlinear Dynamic Theory of Thin Plates with Surface Stresses
PublicationWe discuss the modelling of dynamics of thin plates considering surface stresses according to Gurtin–Murdoch surface elasticity. Taking into account the surface mass density we derive the two-dimensional (2D) equations of motion. For the reduction of the three-dimensional (3D) motion equations to the 2D ones we use the trough-the-thickness integration procedure. As a result, the 2D dynamic parameters of the plate depend not only...
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Saint-Venant torsion based on strain gradient theory
PublicationIn this study, the Saint-Venant torsion problem based on strain gradient theory is developed. A total form of Mindlin's strain gradient theory is used to acquire a general Saint-Venant torsion problem of micro-bars formulation. A new Finite Element formulation based on strain gradient elasticity theory is presented to solve the Saint-Venant torsion problem of micro-bars. Moreover, the problem is solved for both micro and macro...
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Strong ellipticity conditions and infinitesimal stability within nonlinear strain gradient elasticity
PublicationWe discuss connections between the strong ellipticity condition and the infinitesimal instability within the nonlinear strain gradient elasticity. The strong ellipticity (SE) condition describes the property of equations of statics whereas the infinitesimal stability is introduced as the positive definiteness of the second variation of an energy functional. Here we establish few implications which simplify the further analysis...
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A method for preliminary estimation of the length of midship body block to be inserted during ship’s conversion
PublicationThe paper presents a method for preliminary estimation of the length of the midship body block, which inserted in the original hull, increases the deadweight of the ship in line with a required quantity. The method may be useful for establishing the scope of conversion to better adjust the ship for transportation tasks. The problem is formulated by using a mathematical model so selected that its solution, under set of assumptions,...
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Analysis of elementary cellular automata using the theory of conflict
PublicationThe paper contains decomposition of elementary cellular automata (ECA in short) to subsystems that are defined according to a new theory called theory of conflict (ToC in short). The decomposition is a completely new approach to analysis of ECA and complex systems in general.
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Mixed, quantum-classical description of electron density transfer in the collision process
PublicationIn this work, we investigate an ion-atom model describing the time-dependent evolution of electron density during the collision. For a S3+- H system, numerical simulations are based on classical trajectory calculations, and the electron density behaviour is described with the time-dependent Schrödinger equation. We apply the finite difference method to obtain quantitative insights into the charge transfer dynamics, providing detailed...
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Towards Resource Theory of Coherence in Distributed Scenarios
PublicationThe search for a simple description of fundamental physical processes is an important part of quantum theory. One example for such an abstraction can be found in the distance lab paradigm: if two separated parties are connected via a classical channel, it is notoriously difficult to characterize all possible operations these parties can perform. This class of operations is widely known as local operations and classical communication....
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Uniqueness or uniformity - studies of media architecture
PublicationA development of media architecture is presented in light of to such phenomena as aesthetization, consumerism and digitization. This article deals with media architecture in commercial spaces. Media solutions impact on the architectural skin, making it into visible and dynamic points of the image of a post-modern city. This article presents the specificity of media solutions, depending on the function of commercial activity buildings...
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Identification of 1H‐indene‐(1, 3, 5, 6)‐tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach
PublicationPancreatic lipase is a potential therapeutic target to treat diet-induced obesity in humans, as obesity-related diseases continue to be a global problem. Despite intensive research on finding potential inhibitors, very few compounds have been introduced to clinical studies. In this work, new chemical scaffold 1H-indene-(1,3,5,6)-tetrol was proposed using knowledge-based approach, and 36 inhibitors were derived by modifying its...
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Implementation of Hierarchical Control of Drinking Water Supply System
PublicationThe paper presents the outline of the didactical project of a complex computer controlled system realized by the first degree students of the Automatics and Robotics on the Faculty of Electrical and Control Engineering (FoEaCE) in Gdansk University of Technology (GUT). The synthesis, implementation and analysis of a multilayer hierarchical control system for drinking water supply system (DWSS) are main topics of that project. The...
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Electromagnetic-based derivation of fractional-order circuit theory
PublicationIn this paper, foundations of the fractional-order circuit theory are revisited. Although many papers have been devoted to fractional-order modelling of electrical circuits, there are relatively few foundations for such an approach. Therefore, we derive fractional-order lumped-element equations for capacitors, inductors and resistors, as well as Kirchhoff’s voltage and current laws using quasi-static approximations of fractional-order...
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Density-conserving affine continuous cellular automata solving the relaxed density classification problem
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Biobased Ultralow-Density Polyurethane Foams with Enhanced Recyclability
PublicationPolyurethane (PUR) foams are widely used in many engineering applications, but their efficient recycling has remained a major challenge for many years. This study presents a novel strategy of incorporating hydrolyzable ester units into the PUR structure to enhance PUR foam recyclability. The present ecodesign concept of PUR materials enables fully the replacement of petrochemical polyols with biobased alternatives and production...
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On the effective properties of foams in the framework of the couple stress theory
PublicationIn the framework of the couple stress theory, we discuss the effective elastic properties of a metal open-cell foam. In this theory, we have the couple stress tensor, but the microrotations are fully described by displacements. To this end, we performed calculations for a representative volume element which give the matrices of elastic moduli relating stress and stress tensors with strain and microcurvature tensors.
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KOALA Graph Theory Internet Service
PublicationKOALA has been created with the idea of C++ library templates, implementing a broad set of procedures in the fields of algorithmic graph theory and network problems in discreate optimization. During the C2NIWA project, a library has been greatly ectended, the code refactored and enclosed with the internet service available in the public repository of thr project. Today it contains interconnected educational materials in the form...
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Spectral splittings in the Conley index theory
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Warstwy funkcjonalne tlenkowych ogniw paliwowych
PublicationIn this paper, results describing current research on solid oxide fuel cells conducted at Gdańsk University of Technology, Faculty of Electronics, Telecommunications and Informatics are presented. The results are related to three kinds of functional layers: a thin cathode layer between the porous cathode layer and the electrolyte to improve the cathode performance, a buffer layer between the electrolyte and the cathode to slow...
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A non-linear direct peridynamics plate theory
PublicationIn this paper a direct non-local peridynamics theory for thin plates is developed. Peridynamic points are assumed to behave like rigid bodies with independent translation and finite rotation degrees of freedom. The non-local mechanical interaction between points is characterized by force and moment vectors. The balance equations including the linear momentum, the angular momentum and the energy are presented. Peridynamic deformation...
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Room temperature depinning of the charge-density waves in quasi-two-dimensional 1T-TaS2 devices
PublicationWe report on the depinning of nearly commensurate charge-density waves in 1T-TaS2 thin films at room temperature. A combination of the differential current–voltage measurements with the low-frequency noise spectroscopy provides unambiguous means for detecting the depinning threshold field in quasi-2D materials. The depinning process in 1T-TaS2 is not accompanied by an observable abrupt increase in electric current—in striking contrast...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublicationEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Inhibiting activity of HIV-1: protease, reverse transcriptase and integrase all together by novel compounds using computational approaches (flexible and rigid docking)
PublicationAcquired immunodeficiency syndrome (AIDS), caused by human immunodeficiency virus type 1 (HIV-1) infection, is one of the most challenging diseases in recent decades. Nevertheless the shortcomings of chemical drugs such as toxicity, lack of curative effects, the search for more potent anti-HIV agents have been focused in our study. In current study, novel scaffold was designed having a benzyl and imidazole in it which are very...
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Looking for the Optimal Location of an Eco-District within a Metropolitan Area: The Case of Tricity Metropolitan Area
PublicationCompact housing structures located in city centers are considered to be the most energy and environmentally eective, mainly due to the access to services, transport networks and municipal infrastructures. There is the question of why so many of the acknowledged ecological housing complexes are located on the outskirts of cities or suburbs. Numerous cities decide to introduce strategies either to densify city centers, hoping to...
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Innovative Bidirectional Isolated High-Power Density On-Board Charge for Vehicle-to-Grid
PublicationThis paper deals with developing and implementing a bidirectional galvanically isolated on-board charger of a high-power density. The power density of the new charger was 4 kW/kg and 2.46 kW/dm3, and the maximum efficiency was 96.4% at 3.4 kW. Due to the requirement to achieve a high-power density, a single-stage inverter topology was used. Regarding switching losses, due to the topology of the circuit with so-called hard switching,...
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Correlation between charge density waves and antiferromagnetism in Nd1−xGdxNiC2 solid solutions
PublicationWe report a study on the evolution of a charge density wave and antiferromagnetism in the series of the polycrystalline solid solution Nd1−xGdxNiC2 (0 _ x _ 1) by means of magnetic and transport properties measurements. The experimental results reveal the violation of the de Gennes law and a strong correlation between the Peierls, Néel, and Curie-Weiss temperatures, which strongly suggests a cooperative interaction between the...
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Giant Nernst effect in the incommensurate charge density wave state of P4W12O44
PublicationWe report the study of Nernst effect in quasi-low-dimensional tungsten bronze P4W12O44 showing a sequence of Peierls instabilities. We demonstrate that both condensation of the electronic carriers in the charge density wave state and the existence of high-mobility electrons and holes originating from the small pockets remaining in the incompletely nested Fermi surface give rise to a Nernst effect of a magnitude similar to that...
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Theory of systems & cybernetics as a bridge between theory and practice. .
PublicationW pracy przedstawiono sposoby posługiwania się Teorią Systemów i Cybernetyką celem identyfikacji efektu synergii między nauką i działalnością praktyczną.
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Implicit difference methods for first order partial differential functional equations
PublicationKlasyczne rozwiązania problemów początkowo brzegowych przybliżane są rozwiązaniami uwikłanych metod różnicowych. Wykazana została zbieżność i stabilność uwikłanych schematów. Dowód stabilności opiera się na technice porównawczej z nieliniowym oszacowaniem typu Perrona dla funkcji danych.
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Application possibilities of LBN for civil engineering issues
PublicationBayesian Networks (BN) are efficient to represent knowledge and for the reasoning in uncertainty. However the classic BN requires manual definition of the network structure by an expert, who also defines the values entered into the conditional probability tables. In practice, it can be time-consuming, hence the article proposes the use of Learning Bayesian Networks (LBN). The aim of the study is not only to present LBN, which can...
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Emulator and simulator of Terma SCANTER and ARPA radar data server
PublicationThe software solutions presented in this paper generate real-time data compatible with ARPA radar standard as well as Terma SCANTER 2001 radar cooperating with Video Distribution and Tracking (VDT) server. Two different approaches to this problem are considered: emulation based on the data captured from real devices and simulation of objects on the sea. For both of them architecture, implementation details and functional test results...
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Effect of Maximal Breath Hold Apnea on Pial Artery Pulsation and Subarachnoid Width in Human
PublicationLittle is known about intracranial pressure (ICP)-cerebral hemodynamic interplay during maximal breath-hold apnea. A recently developed method based on near-infrared transillumination/backscattering sounding (NIR-T/BSS) noninvasively measures changes in pial artery pulsation (cc-TQ) as well as subarachnoid width (sas-TQ) in humans. Changes in sas-TQ correlate with ICP to a considerable extent, whereas cc-TQ reflects the functional...
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An Analysis of the Relationship between the Architecture and the Structure of a Vessel on the Example of the Reconstruction Design Process of the Historical Sailing Yacht "General Zaruski" Carried Out between 2009 and 2012
PublicationThe article analyzes the relation between architecture and structure of a vessel on the example of the reconstruction design of a wooden sailing yacht "General Zaruski" built in Ekanӓs, Sweden in 1939. Based on the documentation of "Kaparen" (sister yacht), "Mloda Gwardia" (ex "General Zaruski") and the reconstruction classification project made by the authors, the impact of functional, spatial and aesthetic design objectives (e.g....
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WIKI-WS as a C2 NIWA Web Service Management Platform
PublicationThe Wiki-WS platform was implemented within the C2 NIWA project for production purposes. Wiki-WS stands for developing, managing and maintaining web services. The production deployment needed implementation of several functional improvements and establishing a strong security 7 safety policy. The WikiWS platform has to be used as an educational environmement for developing web sevices and production environment for execution of...
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DESIGN AND EXECUTION ERRORS AS A CAUSE OF DAMAGE TO ANTI- ELECTROSTATIC FLOORING
PublicationApart from technological lines, industrial floors are a key element in the scope of maintaining the continuity of work of both production plants and logistics centers. The constantly developing industry of industrial flooring includes both classic design and technological flooring solutions, as well as specialist solutions used in facilities where technological processes or storage require system protection against static electricity....
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Convenient Synthesis of Functionalized Unsymmetrical Vinyl Disulfides and Their Inverse Electron-Demand Hetero-Diels-Alder Reaction
PublicationThe simple, convenient, and efficient methods for the preparation of unsymmetrical vinyl disulfides with additional functional groups under mild conditions with moderate to high yields were designed. The developed methods include the reaction of S-vinyl phosphorodithioate with thiotosylates or S-vinyl thiotosylate with thiols. The designed methods allow for the synthesis of unsymmetrical vinyl disulfides with additional functionalities...