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Wyniki wyszukiwania dla: COMPUTATIONAL ELECTROMAGNETICS
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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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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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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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The finite difference methods of computation of X-rays propagation through a system of many lenses
PublikacjaThe propagation of X-ray waves through an optical system consisting of many beryllium X-ray refrac- tive lenses is considered. In order to calculate the propagation of electromagnetic in the optical sys- tem, two differential equations are considered. First equation for an electric field of a monochromatic wave and the second equation derived for complex phase of the same electric The propagation of X-ray waves through an optical system...
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Computationally-efficient design optimisation of antennas by accelerated gradient search with sensitivity and design change monitoring
PublikacjaElectromagnetic (EM) simulation tools are of primary importance in the design of contemporary antennas. The necessity of accurate performance evaluation of complex structures is a reason why the final tuning of antenna dimensions, aimed at improvement of electrical and field characteristics, needs to be based on EM analysis. Design automation is highly desirable and can be achieved by coupling EM solvers with numerical optimisation...
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Computationally efficient two-objective optimization of compact microwave couplers through corrected domain patching
PublikacjaFinding an acceptable compromise between various objectives is a necessity in the design of contemporary microwave components and circuits. A primary reason is that most objectives are at least partially conflicting. For compact microwave structures, the design trade-offs are normally related to the circuit size and its electrical performance. In order to obtain comprehensive information about the best possible trade-offs, multi-objective...
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Strategies for computationally feasible multi-objective simulation-driven design of compact RF/microwave components
PublikacjaMulti-objective optimization is indispensable when possible trade-offs between various (and usually conflicting) design objectives are to be found. Identification of such design alternatives becomes very challenging when performance evaluation of the structure/system at hand is computationally expensive. Compact RF and microwave components are representative examples of such a situation: due to highly compressed layouts and considerable...
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Progress in Electromagnetics Research Letters
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Thermal cooling process by nanofluid flowing near stagnating point of expanding surface under induced magnetism force: A computational case study
PublikacjaThis paper is dedicated to the exam of entropy age and research of the effect of mixing nanosolid additives over an extending sheet. In this review, Newtonian nanofluid version turned into researched at the actuated appealing field, heat radiation and variable heat conductivity results. With becoming modifications, the proven PDEs are moved into popular differential situations and paintings mathematically making use of a specific...
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Safety Analysis for the Operation Process of Electronic Systems Used Within the Mobile Critical Infrastructure in the Case of Strong Electromagnetic Pulse Impact
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Bandwidth-size design trade-offs for compact spline-parameterised patch couplers by means of electromagnetic-driven multi-objective optimisation
PublikacjaBroad bandwidth and small size are the key performance figures for contemporary microwave couplers. These requirements are conflicting, i.e. improvement of one generally leads to degradation of the other assuming fixed topology of the circuit at hand. From a designer's perspective, the knowledge about available design trade-offs is indispensable as it permits for tailoring the circuit for particular applications as well as comparing...
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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublikacjaThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
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Dynamic Data Management Among Multiple Databases for Optimization of Parallel Computations in Heterogeneous HPC Systems
PublikacjaRapid development of diverse computer architectures and hardware accelerators caused that designing parallel systems faces new problems resulting from their heterogeneity. Our implementation of a parallel system called KernelHive allows to efficiently run applications in a heterogeneous environment consisting of multiple collections of nodes with different types of computing devices. The execution engine of the system is open for...
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Practical aspects of testing superconducting electromagnets by the capacitor discharge method taking into account the non-linearity of circuit parameters
PublikacjaThe article presents selected issues related to the development and testing of the diagnostics systems dedicated for superconducting electromagnets. The systems were constructed to assess the production quality of superconducting electromagnets of the SIS100 synchrotron, a new accelerator being built as part of the Facility of Antiproton and Ion Research (FAIR). One of the systems is used for automatic checking of electrical connection...
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COMPUTATIONAL BIOLOGY AND CHEMISTRY
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Computational and Theoretical Chemistry
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JOURNAL OF COMPUTATIONAL BIOLOGY
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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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Atomistic Surrogate-Based Optimization for Simulation-Driven Design of Computationally Expensive Microwave Circuits with Compact Footprints
PublikacjaA robust simulation-driven design methodology for computationally expensive microwave circuits with compact footprints has been presented. The general method introduced in this chapter is suitable for a wide class of N-port un-conventional microwave circuits constructed as a deviation from classic design solutions. Conventional electromagnetic (EM) simulation-driven design routines are generally prohibitive when applied to numerically...
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Variable Data Structures and Customized Deep Learning Surrogates for Computationally Efficient and Reliable Characterization of Buried Objects
PublikacjaIn this study, in order to characterize the buried object via deep-learning-based surrogate modeling approach, 3-D full-wave electromagnetic simulations of a GPR model has been used. The task is to predict simultaneously and independent of each characteristic parameters of a buried object of several radii at different positions (depth and lateral position) in various dispersive subsurface media. This study has analyzed variable...
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Design-oriented computationally-efficient feature-based surrogate modelling of multi-band antennas with nested kriging
PublikacjaDesign of modern antenna structures heavily depends on electromagnetic (EM) simulation tools. EM analysis provides reliable evaluation of increasingly complex designs but tends to be CPU intensive. When multiple simulations are needed (e.g., for parameters tuning), the aggregated simulation cost may become a serious bottleneck. As one possible way of mitigating the issue, the recent literature fosters utilization of faster representations,...
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Reliable computationally-efficient behavioral modeling of microwave passives using deep learning surrogates in confined domains
PublikacjaThe importance of surrogate modeling techniques has been steadily growing over the recent years in high-frequency electronics, including microwave engineering. Fast metamodels are employed to speedup design processes, especially those conducted at the level of full-wave electromagnetic (EM) simulations. The surrogates enable massive system evaluations at nearly EM accuracy and negligible costs, which is invaluable in parameter...
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Obliczeniowa analiza wybranych systemów dostarczania smaru w hydrodynamicznych łożyskach wzdłużnych = Computational analysis of selected supply designs in hydrodynamic thrust bearings
PublikacjaPrzedstawiono przykładowe wyniki obliczeniowej analizy wpływu zastosowania wybranych systemów dostarczania schłodzonego oleju do łożyska na właściwości łożyska.
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A. Computational analysis by molecular docking of thirty alkaloid compounds from medicinal plants as potent inhibitors of SARS-CoV-2 main protease(2020).
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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)
PublikacjaAcquired 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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Exploring novel Cd(ii) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology
PublikacjaA series of four Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde (L) with different inorganic anions within or outside the coordination sphere of general formula: [CdCl2 L2 ] (1), [CdBr2 L 2] (2), [CdI2L 2] (3), and [CdL4 ](PF6 )2 ·3H2 O (4) was synthesized through one-step and two-step reactions, respectively. All complexes were obtained as colorless crystals without the need for recrystallization and exhibited solubi- lity...
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Advanced Control With PLC—Code Generator for aMPC Controller Implementation and Cooperation With External Computational Server for Dealing With Multidimensionality, Constraints and LMI Based Robustness
PublikacjaThe manufacturers of Programmable Logic Controllers (PLC) usually equip their products with extremely simple control algorithms, such as PID and on-off regulators. However, modern PLCs have much more efficient processors and extensive memory, which enables implementing more sophisticated controllers. The paper discusses issues related to the implementation of matrix operations, time limitations for code execution within one PLC...
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Generating actionable evidence from free-text feedback to improve maternity and acute hospital experiences: A computational text analytics & predictive modelling approach
PublikacjaBackground Patient experience surveys are a key source of evidence for supporting decision-making and quality improvement in healthcare services. These surveys contain two main types of questions: closed and open-ended, asking about patients’ care experiences. Apart from the knowledge obtained from analysing closed-ended questions, invaluable insights can be gleaned from free-text data. Advanced analytics techniques are increasingly...
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Computational analysis of an infinite magneto-thermoelastic solid periodically dispersed with varying heat flow based on non-local Moore–Gibson–Thompson approach
PublikacjaIn this investigation, a computational analysis is conducted to study a magneto-thermoelastic problem for an isotropic perfectly conducting half-space medium. The medium is subjected to a periodic heat flow in the presence of a continuous longitude magnetic field. Based on Moore–Gibson–Thompson equation, a new generalized model has been investigated to address the considered problem. The introduced model can be formulated by combining...
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A constitutive model for concrete based on continuum theory with non-local softening coupled with eXtended Finite Element Method. Computational Modelling of Concrete Structures,
PublikacjaArtykuł omawia model połączony ciągły-nieciągły do modelowania stref lokalizacji i rys w betonie niezbrojonym. Obliczenia wykonano stosując rozszerzoną metodę elementów skończonych. Wyniki numeryczne porównano z doświadczeniami.
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Electromagnetic wave scattering in structures containing cylindrical object.**2005, 177 s. 119 rys. 8 tab. bibliogr. 239 poz.
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Electromagnetic Control and Dynamics of Generalized Burgers’ Nanoliquid Flow Containing Motile Microorganisms with Cattaneo–Christov Relations: Galerkin Finite Element Mechanism
PublikacjaIn our research work, we have developed a model describing the characteristics of the bio-convection and moving microorganisms in the flows of a magnetized generalized Burgers’ nanoliquid with Fourier’s and Fick’s laws in a stretchable sheet. Considerations have been made to Cattaneo–Christov mass and heat diffusion theory. According to the Cattaneo–Christov relation, the Buongiorno phenomenon for the motion of a nanoliquid in...
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Uniform expansion estimates in the cubic map as a function of the parameter
Dane BadawczeThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.
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Uniform expansion estimates in the unimodal map with γ=1.5 as a function of the parameter
Dane BadawczeThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.
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Uniform expansion estimates in the unimodal map with γ=2.5 as a function of the parameter
Dane BadawczeThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.
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Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
PublikacjaEdaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures...
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Computations of the least number of periodic points of smooth boundary-preserving self-maps of simply-connected manifolds
PublikacjaLet $r$ be an odd natural number, $M$ a compact simply-connected smooth manifold, $\dim M\geq 4$, such that its boundary $\partial M$ is also simply-connected. We consider $f$, a $C^1$ self-maps of $M$, preserving $\partial M$. In [G. Graff and J. Jezierski, Geom. Dedicata 187 (2017), 241-258] the smooth Nielsen type periodic number $D_r(f;M,\partial M)$ was defined and proved to be equal to the minimal number of $r$-periodic points...
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Computations of size effects in granular bodies within micro-polar hypoplasticity during plane strain compression.
PublikacjaArtykuł omawia deterministyczny i statystyczny efekt skali w materiałach granulowanych podczas sciskania w płaskim stanie odkształcenia. Obliczenia wykonano metodą elementów skończonych na bazie mikropolarnego prawa hipoplastycznego. Wykorzystano metodę hiperłacińskiego próbkowania.
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Simulation of Wave Propagation in Media Described by Fractional-Order Models
PublikacjaIn this paper, algorithms for simulation of the wave propagation in electromagnetic media described by fractional-order (FO) models (FOMs) are presented. Initially, fractional calculus and FO Maxwell's equations are introduced. The problem of the wave propagation is formulated for media described by FOMs. Then, algorithms for simulation of the non-monochromatic wave propagation are presented which employ computations in the time...
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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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On Computationally-Efficient Reference Design Acquisition for Reduced-Cost Constrained Modeling and Re-Design of Compact Microwave Passives
PublikacjaFull-wave electromagnetic (EM) analysis has been playing a major role in the design of microwave components for the last few decades. In particular, EM tools allow for accurate evaluation of electrical performance of miniaturized structures where strong cross-coupling effects cannot be adequately quantified using equivalent network models. However, EM-based design procedures (parametric optimization, statistical analysis) generate...
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A Computationally Efficient Model for Predicting Successful Memory Encoding Using Machine-Learning-based EEG Channel Selection
PublikacjaComputational cost is an important consideration for memory encoding prediction models that use data from dozens of implanted electrodes. We propose a method to reduce computational expense by selecting a subset of all the electrodes to build the prediction model. The electrodes were selected based on their likelihood of measuring brain activity useful for predicting memory encoding better than chance (in terms of AUC). A logistic...
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Computationally-Efficient Statistical Design and Yield Optimization of Resonator-Based Notch Filters Using Feature-Based Surrogates
PublikacjaModern microwave devices are designed to fulfill stringent requirements pertaining to electrical performance, which requires, among others, a meticulous tuning of their geometry parameters. When moving up in frequency, physical dimensions of passive microwave circuits become smaller, making the system performance increasingly susceptible to manufacturing tolerances. In particular, inherent inaccuracy of fabrication processes affect...
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Composites-Mechanics Computations Applications
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Neural, Parallel and Scientific Computations
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A collection of directed graphs for the minimum cycle mean weight computation
Dane BadawczeThis dataset contains definitions of the 16 directed graphs with weighted edges that were described in the following paper: Paweł Pilarczyk, A space-efficient algorithm for computing the minimum cycle mean in a directed graph, Journal of Mathematics and Computer Science, 20 (2020), no. 4, 349--355, DOI: 10.22436/jmcs.020.04.08, URL: http://dx.doi.org/10.22436/jmcs.020.04.08 These...
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IEEE Transactions on Computational Intelligence and AI in Games
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International Journal for Computational Civil and Structural Engineering
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International Journal of Computational Materials Science and Engineering
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International Journal of Computational Engineering & Management IJCEM
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