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Wyniki wyszukiwania dla: STENCIL COMPUTATIONS
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Data Partitioning and Task Management in the Clustered Server Layer of the Volunteer-based Computation System
PublikacjaWhile the typical volunteer-based distributed computing system focus on the computing performance, the Comcute system was designed especially to keep alive in the emergency situations. This means that designers had to take into account not only performance, but the safety of calculations as well. Quadruple-layered architecture was proposed to separate the untrusted components from the core of the system. The main layer (W) consists...
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Accelerated Monte Carlo method for computation of photon migration by matrix description of photon direction
PublikacjaPrzedstawiono metodę obliczeń dyfuzji fotonów w materiałach silnie rozpraszających, będącą modyfikacją metody Monte Carlo. Modyfikacja ta polega na zastąpieniu wektorowego opisu kierunku propagacji fotonów poprzez opis macierzowy, co pozwala na około 5% redukcję czasu obliczeń na komputerach z jednopotokowym przetwarzaniem zmiennopozycyjnym lub większą w wypadku wielopotokowego przetwarzania.
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Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE
PublikacjaThis paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation framework to be used in many new fields such as quantum mechanics. The implementation details and associated gains in the accuracy of the results are discussed. Besides the "standard" double (64 bits)...
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Using a computational model to compare objective negotiations in real and virtual environments
PublikacjaZaprezentowano obliczeniowy model negocjacji uwzględniający warunki początkowe, przebieg negocjacji i wyniki negocjacji. Przedstawiono komputerowy system wspomagający rejestrację przebiegu negocjacji i ich wyników oraz analizę negocjacji zgodną z proponowanym modelem.
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Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2
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Modeling of Performance, Reliability and Energy Efficiency in Large-Scale Computational Environment
PublikacjaLarge scale of complexity of distributed computational systems imposes special challanges for prediction of quality in such systems.Existing quality models for lower-scale systems include functionality,performance,reliability,flexibility and usability.Among these attributes,performance and reliability have a particular significance to the large-scale systems computing quality modeling due to their strong dependence on the system...
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Computational Model of Time for Stiff Hybrid Systems Applied to Control Synthesis
PublikacjaComputational representation.
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Modeling of Performance, Reliability and Energy Efficiency in Large-Scale Computational Environments
PublikacjaLarge scale of complexity of distributed computational systems imposes special challenges for prediction of quality in such systems. Existing quality models for lower-scale systems include functionality, performance, reliability, flexibility and usability. Among these attributes, performance and reliability have a particular significance to the large-scale systems computing quality modeling due to their strong dependence on the...
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The computational complexity of the backbone coloring problem for planar graphs with connected backbones
PublikacjaIn the paper we study the computational complexity of the backbone coloring problem for planar graphs with connected backbones. For every possible value of integer parameters λ≥2 and k≥1 we show that the following problem: Instance: A simple planar graph GG, its connected spanning subgraph (backbone) HH. Question: Is there a λ-backbone coloring c of G with backbone H such that maxc(V(G))≤k? is either NP-complete or polynomially...
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublikacjaAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublikacjaThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Experimental and computational study on mechanical behaviour of carpentry corner log joints
PublikacjaThis work concerns experimental and numerical research on carpentry joints used in historic wooden buildings in southeastern Poland and western Ukraine. These structures are mainly sacred buildings, and the types of corner log joints characteristic of this region are primarily saddle-notch and dovetail joints; thus, these two types of joints were analysed in this study. The modelling of historic timber structures is a complex...
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Contact with coupled adhesion and friction: Computational framework, applications, and new insights
PublikacjaContact involving soft materials often combines dry adhesion, sliding friction, and large deformations. At the local level, these three aspects are rarely captured simultaneously, but included in the theoretical models by Mergel et al., (2019). We here develop a corresponding finite element framework that captures 3D finite-strain contact of two deformable bodies. This framework is suitable to investigate sliding friction even...
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Computational and experimental evaluation of view out according to European Standard EN17037.
PublikacjaThis paper presents an experimental evaluation of view out based on EN17037:2018 Daylight in Buildings within an educational building. The primary motivation to conduct the research was an introduction of a view out appraisal criteria by the mentioned standard. The study gives insights into the following: (i) the use of computational evaluation of an outside view according to the EN17037 criteria (ii) the use of the direct simultaneous...
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The potential of computational methods for the categorization of architectural objects on the example of media architecture
PublikacjaThe paper presents an example of the categorization of architectural objects and assessment of the characteristics of urban space, based on the analysis of specific features of architectural objects and urban landscape. The conducted analysis refers to media architecture and is presented in the complex context of the development of media solutions. The field of influence of IT on architecture is also stressed, both on the architect’s...
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Investigating an Optimal Computational Strategy to Retrofit Buildings with Implementing Viscous Dampers
PublikacjaCivil engineering structures may seriously suffer from different damage states re-sult of earthquakes. Nowadays, retrofitting the existing buildings is a serious need among designers. Two important factors of required performance level and cost of retrofitting play a crucial role in the retrofitting approach. In this study, a new optimal computational strategy to retrofit structures by implementing linear Viscous Dampers (VDs)...
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Computational issues of solving the 1D steady gradually varied flow equation
PublikacjaIn this paper a problem of multiple solutions of steady gradually varied flow equation in the form of the ordinary differential energy equation is discussed from the viewpoint of its numerical solution. Using the Lipschitz theorem dealing with the uniqueness of solution of an initial value problem for the ordinary differential equation it was shown that the steady gradually varied flow equation can have more than one solution....
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3D dose verification with polymer gel detectors of brain-spine match line for proton pencil beam cranio-spinal: A preliminary study
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The basics of design and experimental tests of the commutation unit of a hydraulic satellite motor
Publikacjahe article presents an analytical method to design the commutation unit in a hydraulic satellite motor. It is shown that the size of the holes feeding the working chambers and their location on the plates closing those chambers depends on the geometrical dimensions of the working mechanism. The overlap in the commutation unit depends on the rotational speed range. It is demonstrated that the geometrical dimensions of the commutation...
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Hydrostatically discharged commutation unit and it's impact on axial pump's performance
PublikacjaW pracy przedstawiono wyniki analizy teoretycznej funkcjonowania rozrządu czołowego i hydrostatycznie odciążonego rozrządu krzywkowego w pompach wielotłoczkowych osiowych. Zaprezentowano także wyniki porównawczych badań sprawności mechaniczno-ciśnieniowej, objętościowej i całkowitej dla pomp o różnej konstrukcji. Podano informacje o produkowanych obecnie pompach typu PWK.
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The lipophilicity indices of flavonoids estimated by reversed-phase liquid chromatography using different computation methods
PublikacjaDo oceny właściwości chromatograficznych wybranych flawonoidów zastosowano wyskokosprawną chromatografię cieczową z odwróconym układem faz i kolumnami chromatograficznymi typu C-8 i C-18.Lipofilowość wyrażono za pomocą różnych deskryptów lipofilowości.
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Greedy Multipoint Model-Order Reduction Technique for Fast Computation of Scattering Parameters of Electromagnetic Systems
PublikacjaThis 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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Fentanyl Family at the Mu-Opioid Receptor: Uniform Assessment of Binding and Computational Analysis
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Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublikacjaA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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On the Structure of Time in Computational Semantics of a Variable-Step Solver for Hybrid Behavior Analysis
PublikacjaHybrid dynamic systems combine continuous and discrete behavior. Often, computational approaches are employed to derive behaviors that approximate the analytic solution. An important part of this is the approximation of differential equation behavior by numerical integration. The accuracy and computational efficiency of the integration usually depend on the complexity of the method and its implicated approximation errors, especially...
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Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?
PublikacjaFor the last several tens of years, computer simulations have become of undeniable importance. Molecular Dynamics (MD) simulation techniques are used to examine the phenomena which occur at the level that cannot be observed directly. Thus, they can be successfully exploited in many different scientific fields such as: materials science, applied mathematics and theoretical physics, biochemistry, biophysics or drug design. Despite...
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Synthesis, spectroscopy and computational studies of some novelphosphorylated derivatives of quinoline-5,8-diones
PublikacjaThe neutral phosphorus nucleophiles such as R2P(=Y)M allowed the radical addition to 2-methyl-5,8-dioxo-5,8-dihydroquinoline-7-amine and N-(2-methyl-5,8-dioxo-5,8-dihydroquinolin-7-yl)acetamide giving exclusively O-phosphorylated products. All products were quantitatively prepared and characterized by microanalysis, and multinuclear NMR spectroscopy. Seven of them, have been characterized by single crystal X-ray diffraction method....
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Consensus models: Computational complexity aspects in modern approaches to the list coloring problem
PublikacjaArtykuł poświęcony jest nowym modelom konsensusowego kolorowania grafów. Artykuł zawiera omówienie trzech takich modeli, analizę ich złożoności obliczeniowej oraz wielomianowy algorytm dla częściowych k-drzew, dla tzw. modelu addytywnego.
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Scheduling of identical jobs with bipartite incompatibility graphs on uniform machines. Computational experiments
PublikacjaWe consider the problem of scheduling unit-length jobs on three or four uniform parallel machines to minimize the schedule length or total completion time. We assume that the jobs are subject to some types of mutual exclusion constraints, modeled by a bipartite graph of a bounded degree. The edges of the graph correspond to the pairs of jobs that cannot be processed on the same machine. Although the problem is generally NP-hard,...
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Experimental and Computational Analysis of the Ship Propeller in Open Water Conditions for Inclined Flow
PublikacjaThe paper presents the results of computational analyses simulating the open water tests of ship propeller in inclined flow. The results of computations are compared with the results of corresponding experimental analyses carried out in the towing tank of Ship Design and Research Centre (CTO S.A.). The object of the research was the model propeller identified as CP469. The aim of the study was to validate the results of numerical...
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Validation Process for Computational Model of Full-Scale Segment for Design of Composite Footbridge
PublikacjaExperimental tests and numerical simulations of a full-scale segment of a foot and cycle bridge made of polymer composites are presented in the paper. The analysed structure is made of sandwich panels, which consist of glass fibre reinforced polymer (GFRP) multi-layered laminate faces and a PET foam (obtained from recycling) core. The dimensions of the segment cross-section are the same as for the target footbridge; however, span...
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Optimized Computational Intelligence Model for Estimating the Flexural Behavior of Composite Shear Walls
PublikacjaThis article presents a novel approach to estimate the flexural capacity of reinforced concrete-filled composite plate shear walls using an optimized computational intelligence model. The proposed model was developed and validated based on 47 laboratory data points and the Transit Search (TS) optimization algorithm. Using 80% of the experimental dataset, the optimized model was selected by determining the unknown coefficients of...
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A proposition of the computational model for the dynamic analysis of stress and strain distribution in the hip joint
PublikacjaCelem pracy jest sformułowanie zadania modelowania dynamiki odkształceń i rozkładu naprężeń stawu biodrowego, a w szczególności kości udowej, pod wpływem sił mięśniowych oraz zadanych sił zewnętrznych. Rozwiązanie tego zadania pozwoli wyjaśnić niektóre zjawiska np. jakie ruchy kości udowej oraz jakie materiały użyte do jej alloplastyki są przyczyną urazów i poważnych uszkodzeń. Omówiono problemy związane z zastosowaniem metody...
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The computational complexity of the backbone coloring problem for bounded-degree graphs with connected backbones
PublikacjaGiven a graph G, a spanning subgraph H of G and an integer λ>=2, a λ-backbone coloring of G with backbone H is a vertex coloring of G using colors 1, 2, ..., in which the color difference between vertices adjacent in H is greater than or equal to lambda. The backbone coloring problem is to find such a coloring with maximum color that does not exceed a given limit k. In this paper, we study the backbone coloring problem for bounded-degree...
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Gradient theories of ductile and brittle damage: a thermodynamical consistent framework and computational issues
PublikacjaPrzedstawiono termodynamicznie zgodny opis gradientowych teorii plastycznego i kruchego zniszczenia. Przyjęto, że propagujące mikro-zniszczenia posiadają bezwładność i ich ruch jest wywołany przez mikro-siły, które spełniają ich własne dynamiczne równania równowagi. Poza równaniami równowagi makro- i mikro-sił sformułowano pierwsze i drugie prawo termodynamiki na poziomie mikro i mezo. Zakładając ogólną formę równań konstytutywnych...
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Cavity-QED tests of representations of canonical commutation relations employed in field quantization
PublikacjaDane eksperymentalne dotyczące oscylacji Rabiego porównano z opisem teoretycznym w ramach alternatywnych sformułowań elektrodynamiki kwantowej. Okazało się, iż eksperyment nie jest w stanie rozróżnić opisu standardowego od nowego sformułowania opartego o redukowalne reprezentacje CCR. Zaproponowano nowy eksperyment, którego wynik mógłby być rozstrzygający.
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Influence of water and mineral oil on the leaks in satellite motor commutation unit clearances
PublikacjaThe article describes the flow rates of mineral oil and water flowing, as working media, through the commutation unit of a hydraulic satellite motor. It is demonstrated that geometrical dimensions of commutation unit clearances change as a function of the machine shaft rotation angle. Methods for measuring the rate of this flow and the pressure in the working chamber are presented. The results of pressure measurements in the working...
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Design of cum driven hydrostatically discharged commutation unit of a new axial pump.
PublikacjaPrzedstawiono analizę wpływu zarysu krzywki sterującej mechanizmem rozrządu na własności pompy. Przeanalizowano zarysy sinusoidalne i złożone. W oparciu o wyniki analiz wytypowano optymalny zarys krzywki sterującej.
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Current commutation process in a ultra-fast fuse-IGBT hybrid circuit breaker.
PublikacjaUkład hybrydowy bezpiecznika topikowego i tranzystora IGBT umożliwia bardzo szybkie włączenie do obwodu zwarciowego impedancji ograniczającej wartość prądu. Po eksplozji krótkiego topika bezpiecznika wywołanej narastającym prądem zwarciowym wywołuje w czasie poniżej 2 ms wzrost napięcia na topiku do wartości ok.20 - 25V, po czym prąd jest komutowany do gałęzi z przyrządem półprzewodnikowym typu GTO lub IGBT. Ostateczne wyłączenie...
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A new quantum-inspired approach to reduce the blocking probability of demands in resource-constrained path computation scenarios
PublikacjaThis article presents a new approach related with end-to-end routing, which, owing to quantum-inspired mecha-nisms of prediction of availability of network resources, results in improved blocking probability of incoming requests to establish transmission paths. The proposed scheme has been analyzed for three network topologies and several scenarios of network load. Obtained results show a significant (even twofold) reduction of...
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Heat and mass transfer characteristics in MHD Casson fluid flow over a cylinder in a wavy channel: Higher-order FEM computations
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Synthesis, Pharmacological Evaluation, and Computational Studies of Cyclic Opioid Peptidomimetics Containing β3-Lysine
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Computational examination of Jeffrey nanofluid through a stretchable surface employing Tiwari and Das model
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Computational investigations of acoustic radiation from end shields of small-power electric motor
PublikacjaW artykule omówiono rozwój metod modelowania własności akustycznych maszyn elektrycznych. Wskazano na pomijalny dotąd, znaczący udział drgań tarcz łożyskowych w emitowaniu hałasu przez silniki małej mocy. Na podstawie równania falowego potencjału prędkości wyprowadzono analityczne formuły do obliczeń akustycznych w polu bliskim tarczy łożyskowej. Zamieszczono uzyskane z serii obliczeń dla pracującego silnika, rozkłady ciśnienia...
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Rapid communication: Computational simulation and analysis of a candidate for the design of a novel silk-based biopolymer
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Theoretical and computational analysis of nonlinear fractional integro-differential equations via collocation method
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Efficient knowledge-based optimization of expensive computational models using adaptive response correction
PublikacjaComputer simulation has become an indispensable tool in engineering design as they allow an accurate evaluation of the system performance. This is critical in order to carry out the design process in a reliable manner without costly prototyping and physical measurements. However, high-fidelity computer simulations are computationally expensive. This turns to be a fundamental bottleneck when it comes to design automation using numerical...
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublikacjaDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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Computational modeling of molecularly imprinted polymers as a green approach to the development of novel analytical sorbents
PublikacjaThe development of novel molecularly imprinted polymers (MIP) sorbents for specific chemical compounds require a lot of tedious and time-consuming laboratory work. Significant quantities of solvents and reagents are consumed in the course of the verification of appropriate configurations of polymerization reagents. Implementation of molecular modeling in the MIP sorbent development process appears to provide a solution to this...