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Search results for: computational systems
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Investigating an Optimal Computational Strategy to Retrofit Buildings with Implementing Viscous Dampers
PublicationCivil 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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Using a computational model to compare objective negotiations in real and virtual environments
PublicationZaprezentowano 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 methods for calculation of binding free energy for ligand-receptor complexes
PublicationAccurate 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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Computational issues of solving the 1D steady gradually varied flow equation
PublicationIn 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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The computational complexity of the backbone coloring problem for planar graphs with connected backbones
PublicationIn 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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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublicationThe 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
PublicationThis 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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Computational and experimental evaluation of view out according to European Standard EN17037.
PublicationThis 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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Contact with coupled adhesion and friction: Computational framework, applications, and new insights
PublicationContact 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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Efficient knowledge-based optimization of expensive computational models using adaptive response correction
PublicationComputer 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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Multiobjective Water Distribution Systems Control of Pumping Cost, Water Quality, and Storage-Reliability Constraints
PublicationThis work describes a multiobjective model for trading-off pumping cost and water quality for water distribution systems operation. Constraints are imposed on flows and pressures, on periodical tanks operation, and on tanks storage. The methodology links the multiobjective SPEA2 algorithm with EPANET, and is applied on two example applications of increasing complexity, under extended period simulation conditions and variable energy...
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COMPUTATIONAL MECHANICS
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Experimental and Computational Analysis of the Ship Propeller in Open Water Conditions for Inclined Flow
PublicationThe 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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Scheduling of identical jobs with bipartite incompatibility graphs on uniform machines. Computational experiments
PublicationWe 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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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublicationA 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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Versatile Unsupervised Design of Antennas Using Flexible Parameterization and Computational Intelligence Methods
PublicationDeveloping contemporary antennas is a challenging endeavor that requires considerable engineering insight. The most laborious stage is to devise an antenna architecture that delivers the required functionalities, e.g., multiband operation. Iterative by nature (hands-on topology modifications, parametric studies, trial-and-error geometry selection), it typically takes many weeks and requires considerable engagement from a human...
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Optimized Computational Intelligence Model for Estimating the Flexural Behavior of Composite Shear Walls
PublicationThis 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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Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study
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Fentanyl Family at the Mu-Opioid Receptor: Uniform Assessment of Binding and Computational Analysis
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Synthesis, spectroscopy and computational studies of some novelphosphorylated derivatives of quinoline-5,8-diones
PublicationThe 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
PublicationArtykuł 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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The computational complexity of the backbone coloring problem for bounded-degree graphs with connected backbones
PublicationGiven 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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Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?
PublicationFor 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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Validation Process for Computational Model of Full-Scale Segment for Design of Composite Footbridge
PublicationExperimental 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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Gradient theories of ductile and brittle damage: a thermodynamical consistent framework and computational issues
PublicationPrzedstawiono 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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A proposition of the computational model for the dynamic analysis of stress and strain distribution in the hip joint
PublicationCelem 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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Trustworthiness and Subversion in Large Service- Oriented Multi-Agent Systems under Virtual Anonymity and Blind Provider Selection
PublicationTo promote honest service provision in multi-agent systems, a Computational Trustworthiness and Rating scheme collects service ratings and computes agents' trustworthiness levels (TLs). Studies of existing schemes fail to reflect closed-loop dynamics of TLs arising from the mutual influence of agents' behavior and TLs, and to capture relevant properties. Recent simulative and analytical models produce results tied to a particular...
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Aerodynamic shape optimization by variable-fidelity computational fluid dynamics models: a review of recent progress
PublicationA brief review of some recent variable-fidelity aerodynamic shape optimization methods is presented.We discuss three techniques that—by exploiting information embedded in low-fidelity computationalfluid dynamics (CFD) models—are able to yield a satisfactory design at a low computational cost, usu-ally corresponding to a few evaluations of the original, high-fidelity CFD model to be optimized. Thespecific techniques considered here...
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DISCRETE & COMPUTATIONAL GEOMETRY
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COMPUTATIONAL & APPLIED MATHEMATICS
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Journal of Computational Electronics
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Computational Intelligence and Neuroscience
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Journal of Computational Finance
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Journal of Computational Geometry
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REVIEWS IN COMPUTATIONAL CHEMISTRY
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BIOINFO Computational Mathematics
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Computational Condensed Matter
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Advances in Computational Design
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Computational Management Science
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Advances in Computational Research
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Computational Thermal Sciences
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BIOINFO Computational Optimization
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Journal of Computational Linguistics
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Frontiers in Computational Neuroscience
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npj Computational Materials
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Computational Visual Media
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Computational Social Networks
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Applied and Computational Mechanics
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Journal of Computational Dynamics
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Computational Mathematics and Modeling
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