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Novel Versatile Topologies and Design Optimization of Wide-Bandstop Frequency Selective Surfaces for X-Band, Ku-Band and Millimeter-Wave Applications
PublikacjaNovel designs of frequency selective surface (FSS) are presented for wideband applications in X, Ku and mmWave (millimeter Wave) bands. Two identical metallic layers of FSS are imprinted on both sides of the RO4003 substrate. The geometry parameters are optimized to maximize the bandstop at the specified in-band maximum transmission level of –10 dB; satisfaction of the latter condition is enforced through appropriate formulation...
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DC and AC Conductivity, Biosolubility and Thermal Properties of Mg-Doped Na2O–CaO–P2O5 Glasses
PublikacjaBioactive glasses have recently been extensively used to replace, regenerate, and repair hard tissues in the human body because of their ability to bond with living tissue. In this work, the effects of replacing Na2O with MgO on the electrical, biosolubility, and thermal properties of the target glass 10Na2O–60P2O5–30CaO (in mol%) were investigated. The electrical properties of the glasses were studied with the impedance spectroscopy...
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Optimum Control of Gyroscopic Systems
PublikacjaThe problem of optimum control of transverse rotor vibrations with gyroscopic interactions has been described and solved in the paper. An integral performance index has been defined for such system in order to minimize vibration level of a chosen rotor point. For this reason, an efficient way of finding the weight coefficients of integral performance index for multi-degrees-of-freedom system with gyroscopic interactions has been...
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Shape Optimisation of Kaplan Turbine Blades Using Genetic Algorithms
PublikacjaThis monograph is a comprehensive guide to a method of blade profile optimisation for Kaplan-type turbines. This method is based on modelling the interaction between rotor and stator blades. Additionally, the shape of the draft tube is investigated. The influence of the periodic boundary condition vs. full geometry is also discussed. Evolutionary algorithms (EA) are used as an optimisation method together with artificial neural...
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Pipelined division of signed numbers with the use of residue arithmetic in FPGA
PublikacjaAn architecture of a pipelined signed residue divider for small number ranges is presented. The divider makes use of the multiplicative division algorithm where initially the reciprocal of the divisor is calculated and subsequently multiplied by the dividend. The divisor represented in the signed binary form is used to compute the approximated reciprocal in the residue form by the table look-up. In order to reduce the needed length...
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Numerical Test for Stability Evaluation of Discrete-Time Systems
PublikacjaIn this paper, a new numerical test for stability evaluation of discrete-time systems is presented. It is based on modern root-finding techniques at the complex plane employing the Delaunay triangulation and Cauchy's Argument Principle. The method evaluates if a system is stable and returns possible values and multiplicities of unstable zeros of the characteristic equation. For state-space discrete-time models, the developed test...
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A variational approach of homogenization of piezoelectric composites towards piezoelectric and flexoelectric effective media
PublikacjaThe effective piezoelectric properties of heterogeneous materials are evaluated in the context of periodic homogenization, whereby a variational formulation is developed, articulated with the extended Hill macrohomogeneity condition. The entire set of homogenized piezoelectric moduli is obtained as the volumetric averages of the microscopic properties of the individual constituents weighted by the displacement and polarization...
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Probabilistic Analysis of Structure Models using Target Random Sampling (TRS)
PublikacjaThe work presents testing methods of sensitivity and reliability of mechanical or structural systems. All computations concerned the case of Zigler column, a simple model of a compressed column involving two random variables only. A conclusion was drawn that the standard Monte Carlo method, its reduction variants and the response surface method allow to assess the sensitivity of structural response to the variation of random structural...
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Possible uses of crisis situation aiding system in virtual world simulation
PublikacjaMany of the real world crisis situations like spreading fire, hostile units attack, flood, and etc. are commonly used in computer games where a simulation of extensive virtual world is crucial. This paper presents some ideas for possible uses of existing crisis situation aiding system in such environments. Moreover, it shows how this kind of system can be taught during subsequent games with a large number of players. As an example...
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Launch of the Immersive 3D Visualization Laboratory
PublikacjaThe paper presents the concept of Immersive 3D Visualization Laboratory, formed at the Faculty of Electronics, Telecommunications and Informatics at Gdańsk University of Technology under the project Gdańsk University of Technology's Modern auditoriums. The basic unit of this laboratory will be cubic CAVE (Cave Automatic Virtual Environment) enriched with spherical walk simulator. This device will allow the user unlimited walking,...
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A novel concept of H2/O2 steam generator
PublikacjaThis paper presents an idea of hydrogen utilization to steam generation to drive a turbine and produce electricity or to supply a condenser as an element of a heating system. Electrolysis process is considered as a source of hydrogen as well as oxygen. Hydrogen combustion with a stoichiometric ratio of pure oxygen produces steam at very high temperature. Steam temperature can be controlled by mixing the generated steam with liquid...
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Synthesis and biological activity of mycophenolic acid-amino acid derivatives
PublikacjaIn search of new immunosuppressants, mycophenolic acid (MPA) was coupled with amino acid methyl esters followed by hydrolysis to analogs bearing free carboxylic groups. The obtained compunds were tested in vitro as growth inhibitors of lymphoid cell line (Jurkat) and human peripheral blood mononuclear cells (PBMC) from healthy donors. According to obtained results recovering of free carboxylic group increased their activity. Additionally,...
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Distribution of volatile organohalogen compounds in petrochemical plant water streams
PublikacjaThe study assesses halogenated volatile organic compound concentrations in the water and wastewaterstreams of a petrochemical plant. Water samples were collected at 11 sampling points during 5 samplingcampaigns. The samples were collected from the oil dewaxing unit and in the wastewater treatmentplant. Dichloromethane and 1,2-dichloroethane were the most frequently determined compounds. Tetrachloroethenewas also detected at the...
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A NOVEL CONCEPT OF H2/O2 STEAM GENERATOR
PublikacjaThis paper presents an idea of hydrogen utilization to steam generation to drive a turbine and produce electricity or to supply a condenser as an element of heating system. Electrolysis process is considered as a source of hydrogen as well as oxygen. Hydrogen combustion with a stoichiometric ratio of pure oxygen produces steam at very high temperature. Steam temperature can be controlled by mixing the generated steam with liquid...
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Iron(III)-selective materials based on a catechol-bearing amide for optical sensing
PublikacjaThe synthesis and ion-binding properties of a new amide L derived from 3,4-dihydroxybenzoic acid are described. Due to the presence of a catechol unit, the compound interacts selectively with iron(III) in organic solvent (dimethyl sulfoxide, DMSO) to produce a color change from pale yellow to green. The incorporation of the ligand L into polymeric matrices or its encapsulation into surfactant-based spheres enables analyte detection...
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Music Data Processing and Mining in Large Databases for Active Media
PublikacjaThe aim of this paper was to investigate the problem of music data processing and mining in large databases. Tests were performed on a large data-base that included approximately 30000 audio files divided into 11 classes cor-responding to music genres with different cardinalities. Every audio file was de-scribed by a 173-element feature vector. To reduce the dimensionality of data the Principal Component Analysis (PCA) with variable...
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The finite-difference simulation of x-rays propagation through a system of lenses
PublikacjaThe propagation of X-ray waves through an optical system consisting of 33 aluminum X-ray refractive lenses is considered. For solving the problem, a finite-difference method is suggested and investigated. It is shown that very small steps of the difference grid are necessary for reliable computation of propagation of X-ray waves through the system of lenses. It is shown that the wave phase is a function very quickly increasing...
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Chirp Rate and Instantaneous Frequency Estimation: Application to Recursive Vertical Synchrosqueezing
PublikacjaThis letter introduces new chirp rate and instantaneous frequency estimators designed for frequency-modulated signals. These estimators are first investigated from a deterministic point of view, then compared together in terms of statistical efficiency. They are also used to design new recursive versions of the vertically synchrosqueezed short-time Fourier transform, using a previously published method (D. Fourer, F. Auger, and...
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Measuring Pulse Rate with a Webcam
PublikacjaIn this paper a simple method of measuring the pulse rate is presented. Elaborated algorithm allows for efficient pulse rate registration directly from face images captured from a webcam. The desired signal is obtained by proper channel selection and principal component analysis. To determine the accuracy of the method an ECG signal is collected together with a video recordings. The effectiveness of the algorithm is considered...
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Thermodynamic analysis of the double Brayton cycle with the use of oxy combustion and capture of CO2
PublikacjaIn this paper, thermodynamic analysis of a proposed innovative double Brayton cycle with the use of oxy combustion and capture of CO2, is presented. For that purpose, the computation flow mechanics (CFM) approach has been developed. The double Brayton cycle (DBC) consists of primary Brayton and secondary inverse Brayton cycle. Inversion means that the role of the compressor and the gas turbine is changed and firstly we have expansion...
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Online urban acoustic noise monitoring system
PublikacjaConcepts and implementation of the Online Urban Noise Monitoring System are presented. Principles of proposed solution used for dynamic acoustical maps creating are discussed. The architecture of the system and the data acquisition scheme are described. The concept of noise mapping, based on noise source model and propagation simulations, was developed and employed in the system. Dynamic estimation of noise source parameters utilized...
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EFFICIENT LINE DETECTION METHOD BASED ON 2D CONVOLUTION FILTER
PublikacjaThe article proposes an efficient line detection method using a 2D convolution filter. The proposed method was compared with the Hough transform, the most popular method of straight lines detection. The developed method is suitable for local detection of straight lines with a slope from -45˚ to 45˚. Also, it can be used for curve detection which shape is approximated with the short straight sections. The new method is characterized...
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Pochwała fishing expeditions – glosa do wyroku Sądu (UE) z 6.09.2013 r. w sprawach połączonych: T-289/11, T-290/11 i T-521/11 Deutsche Bahn in inni przeciwko Komisji Europejskiej
PublikacjaTekst stanowi krytyczny komentarz do wyroku Sądu Unii Europejskiej dotyczącego zakresu uprawnień Komisji Europejskiej w trakcie kontroli przedsiębiorcy
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Construction and development of IT Competence Centers - organizational structure
PublikacjaThe author presents the situation of the current units working between academic environment and business. the paper presents the possibility of using a dynamic structure to develop UCC.
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Towards Effective Processing of Large Text Collections
PublikacjaIn the article we describe the approach to parallelimplementation of elementary operations for textual data categorization.In the experiments we evaluate parallel computations ofsimilarity matrices and k-means algorithm. The test datasets havebeen prepared as graphs created from Wikipedia articles relatedwith links. When we create the clustering data packages, wecompute pairs of eigenvectors and eigenvalues for visualizationsof...
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Mixed 4-node shell element with assumed strain and stress in 6-parameter theory
PublikacjaWe propose a mixed hybrid 4-node shell elements based on Hu-Washizu principle. Apart from displacements both strains and stress fields are treated as independent fields. The element is derived in the framework of a general nonlinear 6-field shell theory with drilling rotation which is dedicated to the analysis of multifold irregular shells with intersections. The novelty of the presented results stems from the fact that the measures...
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Mixed 4-node shell element with assumed strain and stress in 6-parameter theory
PublikacjaWe propose a mixed hybrid 4-node shell elements based on Hu-Washizu principle. Apart from displacements both strains and stress fields are treated as independent fields. The element is derived in the framework of a general nonlinear 6-field shell theory with drilling rotation which is dedicated to the analysis of multifold irregular shells with intersections. The novelty of the presented results stems from the fact that the measures...
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Badania układu UPFC w oparciu o model laboratoryjny i symulacyjny
PublikacjaW artykule przedstawiono koncepcję oraz sposób realizacji laboratoryjnego modelu układu UPFC. Układ zrealizowano według nowej metodyki oferującej elastyczność w szerokim zakresie testowania nowych algorytmów sterowania. W referacie zaprezentowano też przykładowe wyniki prób eksperymentalnych potwierdzające słuszność przyjętej koncepcji sterowania. Dane pomiarowe zostały również wykorzystane do celów walidacji opracowanego modelu...
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Dynamic Formation and Breaking of Disulfide Bonds in Molecular Dynamics Simulations with the UNRES Force Field
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Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins
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Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field
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Improvement of the Treatment of Loop Structures in the UNRES Force Field by Inclusion of Coupling between Backbone- and Side-Chain-Local Conformational States
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Implementation of Molecular Dynamics and Its Extensions with the Coarse-Grained UNRES Force Field on Massively Parallel Systems: Toward Millisecond-Scale Simulations of Protein Structure, Dynamics, and Thermodynamics
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Simulation of the Opening and Closing of Hsp70 Chaperones by Coarse-Grained Molecular Dynamics
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Replica Exchange and Multicanonical Algorithms with the Coarse-Grained United-Residue (UNRES) Force Field
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Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins
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Workflow applications in GridLab and PROGRESS projects
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Flexibility and user‐friendliness of Grid portals: the PROGRESS approach
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Plugging grids into computing portals: the PROGRESS grid resource broker plug‐in mechanism
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High quality speech coding using combined parametric and perceptual modules. [Kodowanie sygnału mowy z zachowaniem wysokiej jakości przy wykorzystaniu modułu parametrycznego i perceptualnego]
PublikacjaW komunikacie zaprezentowano nową metodę hybrydowego kodowania sygnału mowy. Techniki kodowania parametrycznego oraz perceptualnego zostały wykorzystane w celu zapewnienia wysokiej jakości kodowania sygnału mowy. Przedstawiono wyniki badań dla dwóch architektur kodeka. Jedna z nich bazuje na algorytmie pozwalajacym wyodrębnić składowe dźwięczne, bezdźwięczne oraz transjenty. Składowe dźwięczne kodowane są metodą perceptualną, bezdźwięczne...
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublikacjaBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...
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Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule
PublikacjaThe ground state geometries and vibrational frequencies as well as the excitation energies and excited state gradients of the S 1(nπ*) and S 2(ππ * ) states of trans - and cis -azobenzene are investigated by several DFT methods, namely B3LYP, PBE, M06-2X, CAM-B3LYP, and ω B97X. Excited state properties and in particular gradients are also assessed using the wave function based methods EOM-CCSD and RASPT2/RASSCF. Comparison with...
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Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
PublikacjaWe describe a versatile method to enforce the rotation of subsets of atoms, e.g., a protein subunit, in molecular dynamics (MD) simulations. In particular, we introduce a “flexible axis” technique that allows realistic flexible adaptions of both the rotary subunit as well as the local rotation axis during the simulation. A variety of useful rotation potentials were implemented for the GROMACS 4.5 MD package. Application to the...
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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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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublikacjaThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublikacjaDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublikacjaThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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A multithreaded CUDA and OpenMP based power‐aware programming framework for multi‐node GPU systems
PublikacjaIn the paper, we have proposed a framework that allows programming a parallel application for a multi-node system, with one or more GPUs per node, using an OpenMP+extended CUDA API. OpenMP is used for launching threads responsible for management of particular GPUs and extended CUDA calls allow to manage CUDA objects, data and launch kernels. The framework hides inter-node MPI communication from the programmer who can benefit from...