Search results for: MINIMAL NUMBER OF PERIODIC POINTS
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Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Open Research DataThe dataset includes relativistic continuum electron wave functions (continuum orbitals, continuum spinors) for elastic scattering of electrons from Argon (Ar), Krypton (Kr), Xenon (Xe), Radon (Rn) and Oganesson (Og) atoms, calculated using the Multiconfiguration Dirac-Hartree-Fock method (MCDHF), at very low electron energies (0.0001 - 0.001 eV). Only...
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The ONETEP linear-scaling density functional theory program
PublicationWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Activity of isavuconazole and other triazole derivatives against clinical isolates of Aspergillus fumigatus
PublicationAspergillus fumigatus is the most frequent pathogen of the genus Asperillus, which is highly susceptible to triazole derivatives, especially to isavuconazole and voriconazole. Many countries face a growing problem of infections due to A. fumigatus showing acquired resistance to one or several triazoles. In medical centres, monitoring the susceptibility of isolated Aspergillus spp. is recommended. The aim of this study was to collect...
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Damage-Involved Structural Pounding in Bridges under Seismic Excitation
PublicationDuring severe earthquakes, pounding between adjacent superstructure segments of highway elevated bridges was often observed. It is usually caused by the seismic wave propagation effect and may lead to significant damage. The aim of the present paper is to show the results of the numerical analysis focused on damage-involved pounding between neighbouring decks of an elevated bridge under seismic excitation. The analysis was carried...
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Analysis of the impact of wastewater discharge on recipients: synergistic approach
PublicationThe dissertation presents the analysis of chemical and microbial composition of wastewater and examines the impact of wastewater discharge on the environment. Various case studies were analysed: from small settlements in a pristine European Arctic, to large municipal wastewater treatment plants in areas subjected to greater anthropogenic pressure. In order to comprehensively analyse the impact of wastewater discharge on the receiving...
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Multi-fidelity aerodynamic design trade-off exploration using point-by-point Pareto set identification
PublicationAerodynamic design is inherently a multi-objective optimization (MOO) problem. Determining the best possible trade-offs between conflicting aerodynamic objectives can be computationally challenging when carried out directly at the level of high-fidelity computational fluid dynamics simulations. This paper presents a computationally cheap methodology for exploration of aerodynamic design trade-offs. In particular, point-by-point...
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Mechanics of mesh implanted into abdominal wall under repetitive load. Experimental and numerical study
PublicationThere are a number of papers discussing medical and mechanical aspects of ventral hernia management. Despite intensive work on the problem understanding, recurrences of the sickness still happen too often. For that reason new aspects of the problem must be considered. In this paper, a change in the abdominal implant’s stiffness is discussed, which is caused by cyclic loading. Such loading influence abdominal implant e.g. while...
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Ciliated protozoa in the impact zone of the Uzhgorod treatment plant
PublicationThis paper presents the results of studies on the Uzh River (Ukraine, Zakarpattia Oblast) near the effluent point of a sewage treatment plant in Uzhgorod. The samples were taken at various sites of the treatment plant along the stages of purification process, as well as in the river, at a number of different points above and below the wastewater discharge. At each of these objects, the temperature...
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Polynomial Chaos Expansion in Bio- and Structural Mechanics
PublicationThis thesis presents a probabilistic approach to modelling the mechanics of materials and structures where the modelled performance is influenced by uncertainty in the input parameters. The work is interdisciplinary and the methods described are applied to medical and civil engineering problems. The motivation for this work was the necessity of mechanics-based approaches in the modelling and simulation of implants used in the repair...
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Polynomial Chaos Expansion in Bio-and Structural Mechanics
PublicationThis monograph presents a probabilistic approach to modelling the mechanics of materials and structures where the modelled performance is influenced by uncertainty in the input parameters. The work is interdisciplinary and the methods described are applied to medical and civil engineering problems. The motivation for this work was the necessity of mechanics-based approaches in the modelling and simulation of implants used in the...
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MODELOWANIE MATEMATYCZNE PRZEGRÓD LODOWYCH
PublicationW celu ochrony przed niebezpiecznym zjawiskiem zatoru lodowego opracowano szereg metod, które można podzielić na metody czynne i bierne. Pierwsza grupa obejmuje działania techniczne prowadzące do mechanicznego lub termicznego usuwania lodu i neutralizacji zatorów. Wykorzystuje się w tym calu głównie lodołamacze lub innego typu jednostki pływające. Do metod biernych zalicza się przede wszystkim przegrody lodowe budowane w celu stabilizacji...
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Hepatic fibrosis - Female, 52 - Tissue image [5250730010647331]
Open Research DataThis is the histopathological image of LIVER AND INTRAHEPATIC BILE DUCTS tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Greedy Multipoint Model-Order Reduction Technique for Fast Computation of Scattering Parameters of Electromagnetic Systems
PublicationThis paper attempts to develop a new automated multipoint model-order reduction (MOR) technique, based on matching moments of the system input–output function, which would be suited for fast and accurate computation of scattering parameters for electromagnetic (EM) systems over a wide frequency band. To this end, two questions are addressed. Firstly, the cost of the wideband reduced model generation is optimized by automating a...
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Preparation and properties of composite coatings, based on carbon nanotubes, for medical applications
PublicationThe coatings based on carbon nanotubes (CNTs) are increasingly developed for their applications, among others, in medicine, in particular for implants in implantology, cardiology, and neurology. The present review paper aims at a detailed demonstration of diferent preparation methods for such coatings, their performance, and relationships between deposition parameters and microstructure and material, mechanical, physical, chemical,...
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Cost-Efficient Bi-Layer Modeling of Antenna Input Characteristics Using Gradient Kriging Surrogates
PublicationOver the recent years, surrogate modeling has been playing an increasing role in the design of antenna structures. The main incentive is to mitigate the issues related to high cost of electromagnetic (EM)-based procedures. Among the various techniques, approximation surrogates are the most popular ones due to their flexibility and easy access. Notwithstanding, data-driven modeling of antenna characteristics is associated with serious...
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An Overview of Bidirectional EV Chargers: Empowering Traction Grid-Powered Chargers
PublicationIn recent years, the number of electric vehicles has been at least doubling year after year. As a result, today electric vehicles already account for approximately 10% of the global automotive market, which positively affects environment in urbanized areas. However, to take full advantage of the EV integration it is necessary to use renewable sources for their charging; optimally place charging stations/terminals; optimally manage...
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The effect of groyne field on trapping macroplastic. Preliminary results from laboratory experiments
PublicationMacroplastic, a precursor of microplastic pollution, has become a new scope of research interest. However, the physical processes of macroplastic transport and deposition in rivers are poorly understood, which makes the decisions of where to locate macroplastic trapping infrastructure difficult. In this research, we conducted a series of experiments in a laboratory channel, exploring the impact of groynes and flexible artificial...
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Combined numerical and experimental approach to determine numerical model of abdominal scaffold
PublicationA proper junction of the prosthesis and the abdominal wall is important in successful hernia repair. The number of tacks should be balanced to assure appropriate mesh fixation and not to induce post-operative pain. Numerical simulations help to find this balance. The study is aimed at creating a proper numerical model of a knitted surgical mesh subjected to boundary conditions and load occurring in the abdominal cavity. Continuous,...
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Development and experimental validation of a novel double-stage yield steel slit damper-buckling restrained brace
PublicationThis research is focused on the development and experimental validation of a novel double-stage yield steel slit damper-buckling restrained brace (SSD-DYB) system designed for seismic resistance of steel structures. The SSD-DYB integrates the energy dissipation capability of a steel slit damper (SSD) in its initial segment, enhancing performance in the case of lower seismic intensities levels while employing a larger segment for...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Theory and application of Near-infrared spectroscopy
PublicationIn recent years one can observe a significant increase in the requirements on quality control in all industrial sectors. The growing number of involved analyses makes the traditional, time consuming, requiring use of large quantities of reagents, thus expansive methods inconvenient especially for industrial applications. Fortunately, there is a very fast, cheap and not invasive analytical method that is increasingly used in qualitative...
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Measurements of the heat of hydration released by concrete specimens cured under adiabatic conditions
Open Research DataThe DataSet contains measurements of heat of hydartion of concrete cubes (150 x 150 x 150 mm) cured under adiabatic conditions. The specimens were moulded from six types of concrete mixtures produced in the laboratory conditions. Mix #1: Portland cement CEM I 42.5R and gravel aggregate, mix #2: CEM I 42.5R and basalt aggregate, mix#3: Portland-composite...
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An updated method identifying collision-prone locations for ships. A case study for oil tankers navigating in the Gulf of Finland
PublicationTo ensure the risk level associated with continuously increasing maritime traffic through particularly sensitive sea areas remains at acceptable level, a periodic risk assessment needs to be carried out by the relevant authorities. As a part of such assessment, allowing for proactive countermeasures to mitigate risk, the frequency of accidents is estimated along with the assessment of geographical locations where the accidents...
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Decision making process using deep learning
PublicationEndüstri 4.0, dördüncü endüstri devrimi veya Endüstriyel Nesnelerin İnterneti (IIoT) olarak adlandırılan sanayi akımı, işletmelere, daha verimli, daha büyük bir esneklikle, daha güvenli ve daha çevre dostu bir şekilde üretim yapma imkanı sunmaktadır. Nesnelerin İnterneti ile bağlantılı yeni teknoloji ve hizmetler birçok endüstriyel uygulamada devrim niteliği taşımaktadır. Fabrikalardaki otomasyon, tahminleyici bakım (PdM – Predictive...
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The short-term flicker severity level measured in the industrial power system supplying the rolling mill motors
Open Research DataThe dataset presents a short-term flicker severity level measured on the bus bars of the main switchgear of the industrial power network for the supply of rolling mills. The data were obtained during an experiment whose purpose was to determine a level of short-term and long-term flicker caused by voltage fluctuations. In the virtual application of...
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Automatic Regularization by Quantization in Reducible Representations of CCR: Point-Form Quantum Optics with Classical Sources
PublicationElectromagnetic fields are quantized in a manifestly covariant way by means ofa class of reducible "center-of-mass N-representations" of the algebra of canonical commutationrelations (CCR). The four-potential Aa(x) transforms in these representations as aHermitian four-vector field in Minkowski four-position space (without change of gauge), butin momentum space it splits into spin-1 massless photons and two massless scalars. Whatwe...
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Improved-Efficacy EM-Driven Optimization of Antenna Structures Using Adaptive Design Specifications and Variable-Resolution Models
PublicationOptimization-driven parameter tuning is an essential step in the design of antenna systems. Although in many cases it is still conducted through parametric studies, rigorous numerical methods become a necessity if truly optimum designs are sought for, and the problem intricacies (number of variables, multiple goals, constraints) make the interactive approaches insufficient. The two practical considerations of electromagnetic (EM)-driven...
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Recent Advances in Accelerated Multi-Objective Design of High-Frequency Structures using Knowledge-Based Constrained Modeling Approach
PublicationDesign automation, including reliable optimization of engineering systems, is of paramount importance for both academia and industry. This includes the design of high-frequency structures (antennas, microwave circuits, integrated photonic components), where the appropriate adjustment of geometry and material parameters is crucial to meet stringent performance requirements dictated by practical applications. Realistic design has...
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Remarks on use of the term “deep eutectic solvent” in analytical chemistry
PublicationAbout 20 years ago, Abbott and co-workers researched new solvents that were based on mixtures of choline chloride with urea and carboxylic acids and that were liquid at ambient temperature. The term “deep eutectic solvent” (DES) was later adopted for similar mixtures. As DESs have a number of interesting features, they quickly attracted the attention of researchers and found application in various branches of chemical and materials...
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Simulation of the weight averaging of pulse frequency modulated sensor output signal
Open Research DataThe aim of the research is investigation of the efficiency of weight averaging of pulse frequency modulated signal. It was shown that from the point of view of the reduction of the sampling error the best are polynomial weighing functions, for which the maximum of this component error decreases proportionally to the appropriate power of the number of...
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THE METHOD OF MEASURING THE MEMBRANE COVER GEOMETRY USING LASER SCANNING AND SYNCHRONOUS PHOTOGRAMMETRY
PublicationThe authors present the experience and results of field studies carried out at the technical acceptance of Forest Opera (name in Polish: Opera Leśna) in Sopot (Poland). An unusual design of covering made in the form of “Sheerfill I” technical fabric membrane required spanned in the form of sails, required the use of terrestrial laser scanning. Such approach allowed for the fast and accurate record of the surface of individual panels...
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Methodology for Processing of 3D Multibeam Sonar Big Data for Comparative Navigation
PublicationAutonomous navigation is an important task for unmanned vehicles operating both on the surface and underwater. A sophisticated solution for autonomous non-global navigational satellite system navigation is comparative (terrain reference) navigation. We present a method for fast processing of 3D multibeam sonar data to make depth area comparable with depth areas from bathymetric electronic navigational charts as source maps during...
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Simulation analysis of a production process with selected six sigma ratios
PublicationComputer technologies allow more and more to model as well as to perform simulation experiments of various processes. The simulation analysis provides a better understanding of the interdependencies between various stages of production processes.The results of simulation studies were presented, the aim of them was to show the opportunities of the analysis of the process according to the scenarios and variants developed in connection...
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Przegląd miar oceny oprogramowania
PublicationProblem oceny oprogramowania istnieje od momentu pojawienia się pierwszego programu komputerowego. Historycznie miary jakości oprogramowania miały zupełnie inne przeznaczenie, gdyż skupiały się na częstotliwości defektów lub błędów oprogramowania. Błędnie bazowało to na założeniu, że jakość oprogramowania to brak błędów. Stąd też używano prostej statystyki typu liczby błędów, wykrytych w określonym przedziale czasu (np. rocznym)...
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Can augmented democracy fulfil the ideal of deliberative democracy?
PublicationNew technologies can broaden the scope of human limits. We can fly to the moon thanks to rocket science, we can communicate with each other by mobile phones and WiFi and we can exceed human life with medical equipment like pacemakers. But there are aspects of our life that still are very distrustful of implementing new technology into functioning. An example of such a field of our everyday life is...
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Architektura a dekonstrukcja. Przypadek Petera Eisenmana i Bernarda Tschumiego
PublicationArchitecture and Deconstruction Case of Peter Eisenman and Bernard Tschumi Introduction Towards deconstruction in architecture Intensive relations between philosophical deconstruction and architecture, which were present in the late 1980s and early 1990s, belong to the past and therefore may be described from a greater than...