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Search results for: STENCIL COMPUTATIONS
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Rotational state-changing collisions of C2H− and C2N− anions with He under interstellar and cold ion trap conditions: A computational comparison
PublicationWe present an extensive range of quantum calculations for the state-changing rotational dynamics involving two simple molecular anions that are expected to play some role in the evolutionary analysis of chemical networks in the interstellar environments, C2H− (X1Σ+) and C2N− (X3Σ−), but for which inelastic rates are only known for C2H−. The same systems are also of direct interest in modeling selective photo-detachment experiments...
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Effect of Pin Shape on Thermal History of Aluminum-Steel Friction Stir Welded Joint: Computational Fluid Dynamic Modeling and Validation
PublicationThis article studied the effects of pin angle on heat generation and temperature distribution during friction stir welding (FSW) of AA1100 aluminum alloy and St-14 low carbon steel. A validated computational fluid dynamics (CFD) model was implemented to simulate the FSW process. Scanning electron microscopy (SEM) was employed in order to investigate internal materials’ flow. Simulation results revealed that the mechanical work...
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Simple Computational Methods in Predicting Limit Load of High-Strength Cold-Formed Sections due to Local Buckling: A Case Study
PublicationCold-formed thin-walled sections are prone to local buckling caused by residual stresses, geometrical imperfections and inconsistency of material properties. We present a real case of buckling failure and conduct a numerical and experimental study aimed to identify methods capable of predicting such failures. It is important because designers of structures are getting more FEA-oriented and tend to avoid lengthy procedures of cold-formed...
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Thermal cooling process by nanofluid flowing near stagnating point of expanding surface under induced magnetism force: A computational case study
PublicationThis 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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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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Obliczeniowa analiza wybranych systemów dostarczania smaru w hydrodynamicznych łożyskach wzdłużnych = Computational analysis of selected supply designs in hydrodynamic thrust bearings
PublicationPrzedstawiono przykładowe wyniki obliczeniowej analizy wpływu zastosowania wybranych systemów dostarczania schłodzonego oleju do łożyska na właściwości łożyska.
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GPU-Accelerated LOBPCG Method with Inexact Null-Space Filtering for Solving Generalized Eigenvalue Problems in Computational Electromagnetics Analysis with Higher-Order FEM
PublicationThis paper presents a GPU-accelerated implementation of the Locally Optimal Block Preconditioned Conjugate Gradient (LOBPCG) method with an inexact nullspace filtering approach to find eigenvalues in electromagnetics analysis with higherorder FEM. The performance of the proposed approach is verified using the Kepler (Tesla K40c) graphics accelerator, and is compared to the performance of the implementation based on functions from...
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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
PublicationA 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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Generating actionable evidence from free-text feedback to improve maternity and acute hospital experiences: A computational text analytics & predictive modelling approach
PublicationBackground 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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Inhibiting activity of HIV-1: protease, reverse transcriptase and integrase all together by novel compounds using computational approaches (flexible and rigid docking)
PublicationAcquired immunodeficiency syndrome (AIDS), caused by human immunodeficiency virus type 1 (HIV-1) infection, is one of the most challenging diseases in recent decades. Nevertheless the shortcomings of chemical drugs such as toxicity, lack of curative effects, the search for more potent anti-HIV agents have been focused in our study. In current study, novel scaffold was designed having a benzyl and imidazole in it which are very...
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Computational analysis of an infinite magneto-thermoelastic solid periodically dispersed with varying heat flow based on non-local Moore–Gibson–Thompson approach
PublicationIn 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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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
PublicationThe 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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A constitutive model for concrete based on continuum theory with non-local softening coupled with eXtended Finite Element Method. Computational Modelling of Concrete Structures,
PublicationArtykuł 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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Virtual Space Vector Pulse Width Modulation Algorithm for Three-Level NPC Converters Based on the Final Element Shape Functions
PublicationThe paper puts forth a novel idea for the computation of Nearest Three Virtual Space Vector Pulse Width Modulation for the three level NPC converters. The computations are based on the concept of final element shape function widely used in the domain of finite element analysis. The proposed approach significantly frees the computations from the use of trigonometric functions, which simplifies the computations and permits easier...
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Combined computational-experimental approach to predict blood–brain barrier (BBB) permeation based on “green” salting-out thin layer chromatography supported by simple molecular descriptors
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Automatic Discovery of IaaS Cloud Workload Types
PublicationThe paper presents an approach to automatic discovery of workloads types. We perform functional characteristics of the workloads executed in our cloud environment, that have been used to create model of the computations. To categorize the resources utilization we used K-means algorithm, that allow us automatically select six types of computations. We perform analysis of the discovered types against to typical computational benchmarks,...
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A GPU Solver for Sparse Generalized Eigenvalue Problems with Symmetric Complex-Valued Matrices Obtained Using Higher-Order FEM
PublicationThe paper discusses a fast implementation of the stabilized locally optimal block preconditioned conjugate gradient (sLOBPCG) method, using a hierarchical multilevel preconditioner to solve nonHermitian sparse generalized eigenvalue problems with large symmetric complex-valued matrices obtained using the higher-order finite-element method (FEM), applied to the analysis of a microwave resonator. The resonant frequencies of the low-order...
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A DFT computational study on the molecular mechanism of the nitro group migration in the product derived from 3-nitro-2-(trifluoromethyl)-2 H -chromene and 2-(1-phenylpropylidene)malononitrile
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Magnetic anisotropy and structural flexibility in the f ield-induced single ion magnets [Co{(OPPh2) (EPPh2)N}2], E = S, Se, explored by experimental and computational methods
PublicationDuring the last few years, a large number of mononuclear Co(II) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(II) S = 3/2 tetrahedral [Co{(OPPh2)(EPPh2)N}2], E = S, Se, complexes (abbreviated as CoO2E2), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically,...
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Maszyna synchroniczna z regulacją strumienia w osi poprzecznej
PublicationOpisano wybrane cechy prądnicy synchronicznej z dwoma uzwojeniami wzbudzenia o napędzie z silnikiem wysokoprężnym. Taki napęd powoduje pulsacje wielkości elektromechanicznych prądnicy. Zastosowanie dodatkowego uzwojenia umożliwia ograniczenie wpływu pulsacji momentu silnika napędowego na przebieg wielkości elektromechanicznych prądnicy.
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Deformacja Dalb: przygotowanie zagadnienia brzegowego.
PublicationPrzedstawiono opis wybranych inżynierskich metod wymiarowania dalb odbojowych, posadowionych na piaszczystym uwarstwionym podłożu gruntowym. Przedstawiono geometrię przykładowej dalby wraz z jej posadowieniem oraz digitalizowaną siatkę metody elementów skończonych. Przedstawiono problem quasi-statycznej równowagi oraz określono warunki brzegowe zagadnienia. W podsumowaniu artykułu streszczono problemy badawcze, które...
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KernelHive: a new workflow-based framework for multilevel high performance computing using clusters and workstations with CPUs and GPUs
PublicationThe paper presents a new open-source framework called KernelHive for multilevel parallelization of computations among various clusters, cluster nodes, and finally, among both CPUs and GPUs for a particular application. An application is modeled as an acyclic directed graph with a possibility to run nodes in parallel and automatic expansion of nodes (called node unrolling) depending on the number of computation units available....
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Krylov Space Iterative Solvers on Graphics Processing Units
PublicationCUDA architecture was introduced by Nvidia three years ago and since then there have been many promising publications demonstrating a huge potential of Graphics Processing Units (GPUs) in scientific computations. In this paper, we investigate the performance of iterative methods such as cg, minres, gmres, bicg that may be used to solve large sparse real and complex systems of equations arising in computational electromagnetics.
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SIMPLIFIED MODELING OF STRESS AND DEFLECTION LIMIT STATES OF UNDERGROUND TANKS
PublicationFuel tanks are designed with regard to standard actions and operating conditions. The work analyses the impact of corrosion and other means to variation of stresses and deformation of a horizontal underground tank shell. The computations are preliminary. Due to the long computational time of the entire tank the analysis is restricted to its part only. The full analysis is bound to assess structural reliability, further allowing...
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Experimental and computational study on the reactivity of 2,3-bis[(3-pyridylmethyl)amino]-2(Z)-butene-1,4-dinitrile, a key intermediate for the synthesis of tribenzoporphyrazine bearing peripheral methyl(3-pyridylmethyl)amino substituents
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Model of Volunteer Based Systems.
PublicationThere are two main approaches to processing tasks requiring high amounts of computational power. One approach is using clusters of mostly identical hardware, placed in dedicated locations. The other approach is outsourcing computing resources from large numbers of volunteers connected to the Internet. This chapter attempts to formulate a mathematical model of the volunteer based approach to distributed computations and apply it...
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Computationally Effcient Solution of a 2D Diffusive Wave Equation Used for Flood Inundation Problems
PublicationThis paper presents a study dealing with increasing the computational efficiency in modeling floodplain inundation using a two-dimensional diffusive wave equation. To this end, the domain decomposition technique was used. The resulting one-dimensional diffusion equations were approximated in space with the modified finite element scheme, whereas time integration was carried out using the implicit two-level scheme. The proposed...
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Implementation of FDTD-Compatible Green's Function on Graphics Processing Unit
PublicationIn this letter, implementation of the finite-difference time domain (FDTD)-compatible Green's function on a graphics processing unit (GPU) is presented. Recently, closed-form expression for this discrete Green's function (DGF) was derived, which facilitates its applications in the FDTD simulations of radiation and scattering problems. Unfortunately, implementation of the new DGF formula in software requires a multiple precision...
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Analiza obudowy wykopu dla budynku z kondygnacją podziemną
PublicationW pracy poruszono tematykę analizy obudowy wykopu dla budynku z jedną kondygnacją podziemną, zlokalizowanego w gęstej zabudowie śródmiejskiej. Obliczenia przeprowadzono za pomocą dwóch programów obliczeniowych: GEO5 (moduł: Ściana analiza) i Autodesk Robot Structural Analysis Professional. Całość wyników podsumowano, a wnioski sformułowano w odniesieniu do obecnej sytuacji na rynku budowlanym, charakteryzującej się coraz to trudniejszymi...
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Analiza przepływu oleju przez rowek smarowy wzdłużnego łożyska ślizgowego z wykorzystaniem komputerowej dynamiki płynów (CFD) = Analysis of the lubricant flow through the hydrodynamic thrust bearings groove with the use of computational fluid dynamic
PublicationSmarowanie zanurzeniowe jest tradycyjnym sposobem smarowania wzdłużnych łożysk ślizgowych. Jednak rozwiązanie to wykazuje umiarkowaną skuteczność w zapewnieniu optymalnie niskich temperatur w filmie smarowym a ponadto jest przyczyną strat mocy związanych z mieszaniem oleju w obudowie łożyska, co jest szczególnie widoczne w łożyskach szybkoobrotowych. Obecnie wymagania stawiane nowym konstrukcjom łożysk ślizgowych to zwiększanie...
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Acceleration of the Discrete Green’s Function Formulation of the FDTD Method Based on Recurrence Schemes
PublicationIn this paper, we investigate an acceleration of the discrete Green's function (DGF) formulation of the FDTD method (DGF-FDTD) with the use of recurrence schemes. The DGF-FDTD method allows one to compute FDTD solutions as a convolution of the excitation with the DGF kernel. Hence, it does not require to execute a leapfrog time-stepping scheme in a whole computational domain for this purpose. Until recently, the DGF generation...
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Simulation of Wave Propagation in Media Described by Fractional-Order Models
PublicationIn 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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Analysis of the process of water entry of an amphibious vehicle
PublicationThe paper presents a method of computational and experimental analysis of the process of water entry of an amphibious vehicle. The computational method is based on the Reynolds Averaged Navier-Stokes Equations (RANSE) solver and the xperiment was carried out in the towing tank at Ship Design and Research Centre S.A. with the use of a scale model. The analysis was focused on the safety of water entry, i.e. the maximum pitch and...
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Performance and Power-Aware Modeling of MPI Applications for Cluster Computing
PublicationThe paper presents modeling of performance and power consumption when running parallel applications on modern cluster-based systems. The model includes basic so-called blocks representing either computations or communication. The latter includes both point-to-point and collective communication. Real measurements were performed using MPI applications and routines run on three different clusters with both Infiniband and Gigabit Ethernet...
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Runtime Visualization of Application Progress and Monitoring of a GPU-enabled Parallel Environment
PublicationThe paper presents design, implementation and real life uses of a visualization subsystem for a distributed framework for parallelization of workflow-based computations among clusters with nodes that feature both CPUs and GPUs. Firstly, the proposed system presents a graphical view of the infrastructure with clusters, nodes and compute devices along with parameters and runtime graphs of load, memory available, fan speeds etc. Secondly,...
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Pomiar obrotów i przemieszczenia cząstek T-S w zlokalizowanej strefie deformacji.
PublicationPrzedstawiono nowe stanowisko do badań eksperymentalnych w warunkach dwuosiowego ściskania z materiałem Taylor-Schneebeli (T-S). Unikatowe stanowisko badawcze, w skali badań mechaniki ośrodków rozdrobnionych w ogóle, wykorzystuje oryginalną technikę pomiarów cyfrowych dla określenia obrotów i przemieszczenia cząstek T-S w skali mikro. Cyfrowa technika pomiarów wykorzystuje konwencjonalny sprzęt wideo kamer lub aparatów...
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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). Focused on analysis of the Medicinal plants that have potential therapeutic ability against COVID-19.
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Rapid Design of 3D Reflectarray Antennas by Inverse Surrogate Modeling and Regularization
PublicationReflectarrays (RAs) exhibit important advantages over conventional antenna arrays, especially in terms of realizing pencil-beam patterns without the employment of the feeding networks. Unfortunately, microstrip RA implementations feature narrow bandwidths, and are severely affected by losses. A considerably improved performance can be achieved for RAs involving grounded dielectric layers, which are also easy to manufacture using...
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An Efficient Framework For Fast Computer Aided Design of Microwave Circuits Based on the Higher-Order 3D Finite-Element Method
PublicationIn this paper, an efficient computational framework for the full-wave design by optimization of complex microwave passive devices, such as antennas, filters, and multiplexers, is described. The framework consists of a computational engine, a 3D object modeler, and a graphical user interface. The computational engine, which is based on a finite element method with curvilinear higher-order tetrahedral elements, is coupled with built-in...
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Acceleration of Electromagnetic Simulations on Reconfigurable FPGA Card
PublicationIn this contribution, the hardware acceleration of electromagnetic simulations on the reconfigurable field-programmable-gate-array (FPGA) card is presented. In the developed implementation of scientific computations, the matrix-assembly phase of the method of moments (MoM) is accelerated on the Xilinx Alveo U200 card. The computational method involves discretization of the frequency-domain mixed potential integral equation using...
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Hybridized Space-Vector Pulsewidth Modulation for Multiphase Two-Level Voltage Source Inverter
PublicationIn space vector pulsewidth modulation (SVPWM) algorithms for multiphase two-level voltage source inverters (VSI), the components of active vectors in all orthogonal spaces have to be calculated within the processor and stored in its memory. These necessitate intensive computational efforts of the processor and large memory space. This article presents a hybridized SVPWM for multiphase two-level VSI. In this algorithm, elements...
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Implementation of FDTD-compatible Green's function on heterogeneous CPU-GPU parallel processing system
PublicationThis paper presents an implementation of the FDTD-compatible Green's function on a heterogeneous parallel processing system. The developed implementation simultaneously utilizes computational power of the central processing unit (CPU) and the graphics processing unit (GPU) to the computational tasks best suited to each architecture. Recently, closed-form expression for this discrete Green's function (DGF) was derived, which facilitates...
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Activated Sludge Process Development
PublicationThis paper summarizes the most significant steps in the activated sludge process development and recognizes key contributors. Recognition of the roles of oxygen and living organisms was the first step (1882-1914). Ardern and Lockett (1914) named the accumulated olids "activated sludge". The process was rapidly accepted and applied in the period 1914-1930. The most dramatic changes in the activated sludge process understanding and...
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Hybridization of the FDTD method with use of the discrete Green's function
PublicationIn this contribution, a hybrid technique is presented which combines the finite-difference time-domain (FDTD) method and the discrete Green's function (DGF) formulation of this method. FDTD is a powerful technique for the analysis of complex penetrable objects but its application is not efficient when the computational domain includes many free-space cells. Therefore, the hybrid method was developed which is applicable to complex...
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Recurrence scheme for FDTD-compatible discrete Green's function derived based on properties of Gauss hypergeometric function
PublicationIn this paper, the formulation of one-dimensional FDTD (Finite-difference time-domain)-compatible discrete Green's function (DGF) is derived based on the Gauss hypergeometric function (GHF). The properties of GHF make it possible to derive the recurrence scheme only in the time domain for the DGF generation. Furthermore, this recurrence scheme is valid for any stable time-step size and can be implemented using standard numerical...
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System zarządzania ruchem w sieci z węzłami dgt.
PublicationPrzedstawiono opracowany we współpracy z firmą DGT system informatyczny do zarządzania ruchem w rzeczywistej sieci telekomunikacyjnej z węzłami DGT. Referat składa się z dwóch części. W części związanej z zagadnieniami telekomunikacyjnymi przedstawiono wyniki analizy metod zarządzania ruchem w sieci pod kątem możliwości zaimplementowania ich w sieci z węzłami DGT. Dla wybranych metod zarządzania określono wymagane parametry wyznaczane...
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Symbolic multibody models for digital-twin applications
PublicationSymbolic generation of multibody systems equations of motion appeared in the 1980s. In addition to their computational advantage over their numerical counterparts, symbolic models can be very easily and straightforwardly interfaced with a wide range of software environments and hardware devices. These two features place this approach in a pole position to participate and intervene in the design of digital twins for systems such...
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Optimization of Data Assignment for Parallel Processing in a Hybrid Heterogeneous Environment Using Integer Linear Programming
PublicationIn the paper we investigate a practical approach to application of integer linear programming for optimization of data assignment to compute units in a multi-level heterogeneous environment with various compute devices, including CPUs, GPUs and Intel Xeon Phis. The model considers an application that processes a large number of data chunks in parallel on various compute units and takes into account computations, communication including...
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EFFICIENT LINE DETECTION METHOD BASED ON 2D CONVOLUTION FILTER
PublicationThe 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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Robust procedure for flow coefficient calculation. W: Recent advances in simulation, computational methods and soft computing. Ed. W. Nikos, E. Ma-torakis. New York: WSEAS Press**2002 s. 152-155, 5 rys. bibliogr. 7 poz. Krzepka procedura obliczania współczynnika przepływu.
PublicationW pracy przedstawiono efektywne i szybkie metody obliczania współczynnikaprzepływu powietrza na podstawie znanych: stosunku ciśnień statycznych i oporności dźwiekowej (patrz norma ISO6358).