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Wyniki wyszukiwania dla: modeling train dynamics
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MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?
PublikacjaPraca dotyczy pH zależnych zmian konformacyjnych EF pętli beta-laktoglobuliny. Zmiany te są śledzone za pomocą metod obliczeniowych chemii (dynamika molekularna oraz metody MM/PBSA).
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Neural Network-Based Sequential Global Sensitivity Analysis Algorithm
PublikacjaPerforming global sensitivity analysis (GSA) can be challenging due to the combined effect of the high computational cost, but it is also essential for engineering decision making. To reduce this cost, surrogate modeling such as neural networks (NNs) are used to replace the expensive simulation model in the GSA process, which introduces the additional challenge of finding the minimum number of training data samples required to...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublikacjaOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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Modeling and control of a redundantly actuated variable mass 3RRR planar manipulator controlled by a model-based feedforward and a model-based-proportional-derivative feedforward–feedback controller
PublikacjaIn the paper, dynamics of a complex mechatronics system is considered. A redundantly actuated planar manipulator is the base of the mechanical part of it. It is a 3RRR 1 platform based parallel manipulator. To control its trajectory, a model-based feedforward controller is employed. Three aspects are fundamental in the presented investigations. The first focus is on development of an accurate numerical model used to solve the inverse...
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Modelowanie asymetrycznego procesu walcowania blach bimetalowych = The modeling of asymetrical rolling process of bimetallic plate
PublikacjaW pracy rozważano problem płynięcia plastycznego bimetalowego pasma podczas asymetrycznego procesu walcowania blach bimetalowych. Asymetrię procesu uzyskano w wyniku wprowadzenia różnic w wartościach sił tarcia na powierzchniach styku pasma z poszczególnymi walcami.
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Numerical Modeling of Steel Surface Hardening in the Process of High Energy Heating by High Frequency Currents
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Count Data Modeling About Relationship Between Dubai Housing Sales Transactions and Financial Indicators
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The Impact of Lightning Flashes and Sprites on the Earth’s Global Electric Circuit: An Overview of Recent Modeling Results
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Modeling, run-time optimization and execution of distributed workflow applications in the JEE-based BeesyCluster environment
PublikacjaArtykuł prezentuje kompletne rozwiązanie do modelowania naukowych i biznesowych scenariuszy. statycznego i dynamicznego wyboru usług z uwzględnieniem parametrów jakościowych oraz wykonanie scenariuszy w rzeczywistym środowisku. Scenariusz jest modelowany jako acykliczny graf skierowany, w którym węzły reprezentują zadania zaś krawędzie zależności pomiędzy zadaniami. Warstwa pośrednia BeesyCluster jest wykorzystana do umożliwienia...
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublikacjaDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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Comparison of single best artificial neural network and neural network ensemble in modeling of palladium microextraction
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Modeling the photodynamic effect in 2D versus 3D cell culture under normoxic and hypoxic conditions
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Brassica Napus Florescence Modeling Based on Modified Vegetation Index Using Sentinel-2 Imagery
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Modeling of Common Mode Currents Induced by Motor Cable in Converter Fed AC Motor Drives
PublikacjaInvestigation of conducted EMI generation in AC motor fed by pulse width modulated frequency converters requires to consider parasitic capacitances in converters, motor windings and feeding cables to be taken into account. Motor voltage transients and related common mode currents are significantly correlated with resonance effects occurring in load circuits. An analysis of frequency converter load impedance-frequency characteristics...
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Modeling of the L and M x-ray line structures for tungsten in high-temperature tokamak plasmas
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Spectral reflectance and transmission modeling of multi-cavity Fabry-Pérot interferometer with ZnO thin films
PublikacjaIn this paper spectral reflectance and transmission of a low-coherence fiber-optic Fabry-Pérot interferometer with thin ZnO layers is analyzed using a multi-cavity approach. In the investigated setup two standard single-mode optical fibers (SMF-28) with thin ZnO films deposited on their end-faces form an extrinsic Fabry-Pérot interferometer with air cavity. Calculations of the spectral response of the interferometer were performed...
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In-Out Surface Modification of Halloysite Nanotubes (HNTs) for Excellent Cure of Epoxy: Chemistry and Kinetics Modeling
PublikacjaIn-out surface modification of halloysite nanotubes (HNTs) has been successfully performed by taking advantage of 8-hydroxyquinolines in the lumen of HNTs and precisely synthesized aniline oligomers (AO) of different lengths (tri- and pentamer) anchored on the external surface of the HNTs. Several analyses, including FTIR, H-NMR, TGA, UV-visible spectroscopy, and SEM, were used to establish the nature of the HNTs’ surface engineering....
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Modeling process of planning finished product sales volumes at industrial enterprises in modern economic conditions
PublikacjaThis article presents improving the existing system of planning finished products sales volumes. The influencing factors of the sales volumes in modern economic conditions have been determined: falling world oil prices, the reduction of pipe consumption in the domestic market, the global pandemic. The algorithm of planning finished products sales volumes has been constructed. Calculations based on the Holt forecasting method has...
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Modeling of Accidental Bunker Oil Spills as a Result of Ship's Bunker Tanks Rupture - a Case Study
PublikacjaAIS (Automatic Identification System) data analysis is used to define ship domain for grounding scenarios. The domain has been divided into two areas as inner and outer domains. Inner domain has clear border, which is based on ship dynamic characteristics. Violation of inner domain makes the grounding accident unavoidable. Outer domain area is defined with AIS data analyzing. Outer domain shows the situation of own ship in compare...
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Modeling and Simulation for Exploring Power/Time Trade-off of Parallel Deep Neural Network Training
PublikacjaIn the paper we tackle bi-objective execution time and power consumption optimization problem concerning execution of parallel applications. We propose using a discrete-event simulation environment for exploring this power/time trade-off in the form of a Pareto front. The solution is verified by a case study based on a real deep neural network training application for automatic speech recognition. A simulation lasting over 2 hours...
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Count Data Modeling About Relationship Between Dubai Housing Sales Transactions and Financial Indicators
PublikacjaIn this study, illustrating and comparing the performances of count data models such as Poisson, negative binomial (NB), Hurdle and zero-inflated models for the determination of factors affected housing sales in Dubai. Model comparisons are made via Akaike’s information criterion (AIC), the Vuong test and examining the residuals. Main purpose of this study is building reliable statistical model for relationship between Dubai housing...
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Modeling and simulation of a demonstration robot fed by a modular hybrid source with the dc brushless motor drive.
PublikacjaPrzedstawiono model demonstracyjnego robota mobilnego wykonany w środowisku Matlab-Simulink. Robot napędzany jest przez dwa silniki bezszczotkowe prądu stałego. Hybrydowe źródło energii składa się z wodorowego ogniwa paliwowego PEMFC oraz banku superkondensatorów. Wyniki symulacji przedstawiają zapotrzebowanie na moc podczas znormalizowanego cyklu jazdy robota oraz zachowanie układu w zależności od struktury hybrydowego źródła...
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Modeling of shear localization during confined granular flow in silos within non-local hypoplasticity.
PublikacjaW artykule przedstawiono wyniki numerycznej analizy lokalizacji odkształceń w materiałach granulowanych podczas przepływu w silosach. Obliczenia wykonano przy zastosowaniu metody elementów skończonych i mikropolarnego modelu hipoplastycznego. Zastosowano podejście ALE. Pokazano wpływ szorstkości ścian silosu i zagęszczenia materiału sypkiego na typ lokalizacji.
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Modeling of a cyclic plane strain compression-extension test in granular bodies within a polar hypoplasticity
PublikacjaW artykule przedstawiono wyniki numerycznej analizy wpływu cyklicznego ściskania-rozciągania na lokalizację odkształceń stycznych w materiałach granulowanych. Obliczenia wykonano stosując metodę elementów skończonych i mikropolarne hipoplastyczne prawo konstytutywne. Analizę przeprowadzono dla piasku zagęszczonego i luźnego dla różnych amplitud obciążenia.
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Historic bridge modelling using laser scanning, ground penetrating radar and finite element methods in the context of structural dynamics
PublikacjaPraca dotyczy modelowania MES zabytkowej konstrukcji mostowej przy użyciu danych geometrycznych pochodzących ze skanowania laserowego oraz georadaru. Z uwagi na brak badań materiału budujcego most, przeprowadza się analize wrażliwości konstrukcji na zmiany modułu sprężystości granitu.
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Metric entropy and digital image correlation in deformation dynamics analysis of fibre glass reinforced composite under uniaxial tension
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Fully Automated AI-powered Contactless Cough Detection based on Pixel Value Dynamics Occurring within Facial Regions
PublikacjaIncreased interest in non-contact evaluation of the health state has led to higher expectations for delivering automated and reliable solutions that can be conveniently used during daily activities. Although some solutions for cough detection exist, they suffer from a series of limitations. Some of them rely on gesture or body pose recognition, which might not be possible in cases of occlusions, closer camera distances or impediments...
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Optical method supported by machine learning for dynamics of C‐reactive protein concentrations changes detection in biological matrix samples
PublikacjaIn this article we present the novel spectroscopy method supported with machine learning for real-time detection of infectious agents in wastewater. In the case of infectious diseases, wastewater monitoring can be used to detect the presence of inflammation biomarkers, such as the proposed C-reactive protein, for monitoring inflammatory conditions and mass screening during epidemics for early detection in communities of concern,...
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Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulations
PublikacjaAmino acid ionic liquids (AAILs) provide a low toxicity, biodegradable alternative to conventional ionic liquids, while also maintaining solubility in water. Densities and sound velocities of aqueous solutions of four amino acid ionic liquids (AAILs), based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 6, 8) cation and N-acetyl-L-alaninate ([N-Ac-L-Ala]) anion were measured at T = (293.15–313.15) K and at atmospheric...
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COMPREHENSIVE MODELLING OF THE COST EFFECTIVNESS OF RAILWAY LINE ELECTRIFICATION
PublikacjaSubject of this paper is the mathematical model estimating the Economical threshold between usage of combustion engine traction and electrical traction for new and modernized railway passenger communication lines. Currently available models do not coincide with the whole complexity of the problem. The proposed model was implemented into Matlab and then validated on “Pomorska Kolej Metropolitalna” investment time-frame and its cost...
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Modeling of wind wave induced sediment transport in the coastal zone of polish marine areas (Southern Baltic)
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How the “Liquid Drop” Approach Could Be Efficiently Applied for Quantitative Structure–Property Relationship Modeling of Nanofluids
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Modeling of the fascia-mesh system and sensitivity analysis of a junction force after a laparoscopic ventral hernia repair
PublikacjaW pracy rozpatrywano prosty model cięgnowy układu powięż-siatka do oszacowania siły połączenia siatki z powięzią po operacji laparoskopowej przepukliny brzusznej. Cięgno obciążone jest ciśnieniem wewnątrz brzusznym, symulującym kaszel, oraz przemieszczeniami jego końców wywołanymi skłonami pacjenta. Wpływ poszczególnych parametrów cięgna na siłę połączenia określono za pomocą analizy wrażliwości. Sformułowano pewne wnioski ważne...
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<title>TESLA cavity modeling and digital implementation with FPGA technology solution for control system development</title>
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Usability of accident and incident reports for evidence-based risk modeling – A case study on ship grounding reports
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Structure–activity relationships study on biological activity of peptides as dipeptidyl peptidase IV inhibitors by chemometric modeling
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Modeling of the M X-ray line structures for tungsten and L X-ray line structures for molybdenum
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Atomic-Scale Finite-Element Modeling of Elastic Mechanical Anisotropy in Finite-Sized Strained Phosphorene Nanoribbons
PublikacjaNanoribbons are crucial nanostructures due to their superior mechanical and electrical properties. This paper is devoted to hybrid studies of the elastic mechanical anisotropy of phosphorene nanoribbons whose edges connect the terminals of devices such as bridges. Fundamental mechanical properties, including Young’s modulus, Poisson’s ratio, and density, were estimated from first-principles calculations for 1-layer, 3-layer, and...
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Ontological Modeling for Contextual Data Describing Signals Obtained from Electrodermal Activity for Emotion Recognition and Analysis
PublikacjaMost of the research in the field of emotion recognition is based on datasets that contain data obtained during affective computing experiments. However, each dataset is described by different metadata, stored in various structures and formats. This research can be counted among those whose aim is to provide a structural and semantic pattern for affective computing datasets, which is an important step to solve the problem of data...
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Incorporation of the complete ammonia oxidation (comammox) process for modeling nitrification in suspended growth wastewater treatment systems
PublikacjaThe newly discovered process complete ammonia oxidation (comammox) has changed the traditional under-standing of nitrification. In this study, three possible concepts of comammox were developed and incorporated as part of an extended two-step nitrification model. For model calibration and validation, two series of long-term biomass washout experiments were carried out at 12 ◦C and 20 ◦C in a laboratory sequencing batch reactor....
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Modeling and optimization of chemical-treated torrefaction of wheat straw to improve energy density by response surface methodology
PublikacjaToday, torrefaction is important technique for extending the potential of biomass for improvement of energy density. The independent variables investigated for torrefaction study were temperature, retention time, acid concentration, and particle size. The experiment was designed by central composite design (CCD) method using design expert (version 11). The three dependent variables were higher heating value (HHV), energy enhancement...
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Inverse modeling for fast design optimization of small-size rat-race couplers incorporating compact cells
PublikacjaIn the paper, a framework for computationally-efficient design optimization of compact rat-race couplers (RRCs) is discussed. A class of hybrid RRCs with variable operating conditions is investigated, whose size reduction is obtained by replacing ordinary transmission lines with compact microstrip resonant cells (CMRCs). Our approach employs a bottom-up design strategy leading to the development of compact RRCs through rapid design...
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Evaluating Industry 4.0 Implementation Challenges Using Interpretive Structural Modeling and Fuzzy Analytic Hierarchy Process
PublikacjaThe fourth industrial revolution known as Industry 4.0 is reshaping and evolving the way industries produce products and individuals live and work therefore, gaining massive attraction from academia, business and politics. The manufacturing industries are optimistic regarding the opportunities Industry 4.0 may offer such as, improved efficiency, productivity and customization. The present research contributes to the Industry 4.0...
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Experimental Comparison of Straight Lines and Polynomial Interpolation Modeling Methods in Ship Evolutionary Trajectory Planning Problem
PublikacjaPaper presents the application of evolutionary algorithms and polynomial interpolation in ship evolutionary trajectory planning method and its comparison to classic approach, where trajectory is modeled by straight lines. Evolutionary algorithms are group of methods that allows\ to find a collision free trajectory in real time, while polynomial interpolation allows to model smooth trajectory, which keeps continuity of velocity...
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Two- and three-dimensional elastic networks with rigid junctions: modeling within the theory of micropolar shells and solids
PublikacjaFor two- and three-dimensional elastic structures made of families of flexible elastic fibers undergoing finite deformations, we propose homogenized models within the micropolar elasticity. Here we restrict ourselves to networks with rigid connections between fibers. In other words, we assume that the fibers keep their orthogonality during deformation. Starting from a fiber as the basic structured element modeled by the Cosserat...
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Modeling, simulation, and validation of a TB41 crash test of the H2/W5/B concrete vehicle restraint system
PublikacjaThe paper addresses numerical simulations of a concrete vehicle restraint system. The model is described in detail. The advanced material law of the continuous surface cap model was used to analyze the damage locations in concrete barrier segments. The results were validated against the TB41 full-scale crash test. The test was conducted in compliance with European standard EN 1317, and the validation was performed in accordance...
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A LUMPED-CIRCUIT MODEL OF CIRCULAR PISTON TRANSDUCER FOR MODELING ITS PERFORMANCE IN DUAL FREQUENCY OPERATING MODES
PublikacjaThe paper presents novel network equivalent circuit of piezoceramic circular disc transducer that takes into account thickness and ra dial mode of vibrations. The starting point of the analysis is 4-port description of circular disc element representing the solution of wave equation set in radial and thickness directions. Th e approximate solution for harmonic case is represented in the form of 4x4 matrix, which is syn thesized...
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Fuzzy soft modeling of environmental data. A study of the impact of a Phosphatic Fertilizer Plant on the adjacent environment in Gdańsk
PublikacjaAnaliza podobieństwa obejmuje nie tylko zastosowanie logiki rozmytej, ale również wiele innych podejść matematycznych. Opracowano wiele algorytmów, których celem jest wyodrębnienie wyraźnych skupień (hard clusters) z danego zbioru danych. Prawdopodobnie najczęściej stosowanymi algorytmami są tzw. algorytmy c-średnie (c-means algorithms). Twarde c-średnie (hard c-means) służy do ostrej klasyfikacji, podczas której obiekt jest przypisany...
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Green`s function methods for Mathematical modeling of unidirectional diffusion process in isothermal metals bonding process
PublikacjaPodano wykorzystanie funkcji Greena w rozwiązaniu matematycznego modelu dyfuzji jednowymiarowej podczas izotermicznego łączenia metali.
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FE-modeling of shear resistance degradation in granular materials during cyclic shearing under CNS condition
PublikacjaW artykule przedstawiono wyniki numerycznej analizy degradacji wytrzymałości na ścinanie w materiałach granulowanych podczas cyklicznego ścinania z warunkiem stałej sztywności normalnej. Obliczenia wykonano przy zastosowaniu metody elementów skończonych i mikropolarnego modelu hipoplastycznego.