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Search results for: moleular modelling
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Modelling of Vertical Wall Influence on the Single Bubble Motion
PublicationW referacie pokazano rezultaty badań eksperymentalnych i modelowania matematycznego siły odpychającej, działającej na model pęcherzyka przepływający wzdłuż ściany pionowej. Zaobserwowano okresowy charakter siły oraz stwierdzono, że zależy ona od liczby Reynoldsa. Porównanie obliczonych i zmierzonych wartości siły wykazało satysfakcjonującą zgodność.
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Modelling, thermography and digital processing of energy conversion processes
PublicationW pracy przedstawiono zagadnienia modelowania fizycznego i numerycznego procesów wymiany ciepła i konwersji energii. Do analizy wymiany ciepła w przestrzeni wypełnionej płynem zastosowano termografie krystaliczne i komputerowy system analizy otrzymanych laserowych obrazów. Wykonano również termogramy powierzchni pokrytych także ciekłokrystaliczniei jako przykład przeanalizowano rozkład temperatury na powierzchniach ciał stałych...
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Modelling of complex economic systems : toward conceptual platform
PublicationW artykule opisano rolę modelowania opisowego w ekonomicznych systemach złożonych w kontekście trzech funkcji naukowych: opisu, wyjaśniania i przewidywania. Fazy dekompozycji i opisu jakościowego modelowanych systemów, w tym ekonomicznych, są nieodzowne w całym procesie budowania modelu.
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Modelling of high frequency dynamic responses of engineering structures
PublicationModelling of high frequency dynamic responses of engineering structures, especially those related to wave propagation, is a real numerical challenge. Nowadays most of numerical models, used for that purpose, are based on the application of various finite element techniques. However, finite element discrete models may also be considered as possessing certain periodic structures, which may manifest themselves in particular scenarios....
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Modelling the loss of time caused by traffic incidents on motorways
PublicationFor each road incident important factors like location, capacity reduction, traffic management, duration of road incidents and amount of traffic should be defined. All performer operations and effects of incidents affect the capacity of the road, average speed, time loss, vehicle queues and traffic jams. In the article road incidents were divided into planned and unexpected. Statistical analysis prepared using the database of traffic...
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FEM modelling of screw displacement pile interaction with subsoil
PublicationPredicting the-settlement characteristics of piles is an important element in the designing of pile foundations. The most reliable method in evaluating pile-soil interaction is the static load test, preferably performed with instrumentation for measuring shaft and pile base resistances. This, however, is a mostly post-implementation test. In the design phase, prediction methods are needed, in which numerical simulations play an...
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An intelligent cellular automaton scheme for modelling forest fires
PublicationForest fires have devastating consequences for the environment, the economy and human lives. Understanding their dynamics is therefore crucial for planning the resources allocated to combat them effectively. In a world where the incidence of such phenomena is increasing every year, the demand for efficient and accurate computational models is becoming increasingly necessary. In this study, we perform a revision of an initial proposal...
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Computational modelling of historic masonry railroad arch bridges
PublicationThe problems encountered during the analyzes of structural response of historic masonry railroad arch bridges are described in this paper. The attention is mainly focused on the stiffness of the masonry arches, their strengths and appropriate estimation of railroad load intensity. Issues related to computational modelling of two, existing, almost 130 years old masonry arch railroad bridges are presented in this context. The main...
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Optimization of Bread Production Using Neuro-Fuzzy Modelling
PublicationAutomation of food production is an actively researched domain. One of the areas, where automation is still not progressing significantly is bread making. The process still relies on expert knowledge regarding how to react to procedure changes depending on environmental conditions, quality of the ingredients, etc. In this paper, we propose an ANFIS-based model for changing the mixer speed during the kneading process. Although the...
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Mathematical Modelling and Computer Simulation of Activated Sludge Systems
PublicationPrzegląd systemów osadu czynnego. Rozwój modeli procesu osadu czynnego. Podstawowe definicje z zakresu modelowania matematycznego i symulacji komputerowej. Proces budowy modelu (model biokinetyczny, hydrodynamiczny, transferu tlenu, temperatury). Modelowanie procesów biochemicznych zachodzących w systemach osadu czynnego. Organizacja badań symulacyjnych. Praktyczne zastosowania modeli osadu czynnego.
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Software tool for modelling of mechatronic systems with elastic continua
PublicationThe paper presents a systematic computational package for modelling and analysis of complex systems composed of multiple lumped and distributed parameter subsystems. The constructed computer program enables the frequency domain analysis of a class of linear systems and to obtain reduced order model in the form of bond graph. Obtained modal bond graph can be directly exported into 20-Sim package to further processing including nonlinear...
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Propagation Path Loss Modelling in Container Terminal Environment
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Modelling method for a class of distributed-lumped parameter systems
PublicationThe paper presents an alternative approach for modelling and order reduction of continuous system. The proposed methodology combines application of two methods: the modal decomposition method and the rigid finite element method. The given continuous structure is divided into 1D continuous substructures. For each 1D substructure modal decomposition and reduction procedure is applied. Interactions between substructures are described...
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Modelling of concrete using lattice and discrete element method
PublicationModelowanie betonu przy zastosowaniu metody siatkowej i metody elementów dyskretnych.
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Modelling of concrete behaviour in uniaxial compression and tension with DEM.
PublicationW artykule omowiono wyniki modelowania betonu podczas jednoosiowego sciskania i rozciagania stosujac metode elementów dyskretnych. Beton zostal opisany jako material 3-fazowy (kruszywo, zaprawa cementowa i strefy kontaktu). Szczegolna uwage zwrocono na zjawiska mikro-strukturalne na poziomie kruszywa (lancuchy sil, wiry, obroty ziaren). Wyniki numeryczne zostaly porownano z wynikami badan doswiadczalnych.
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Central European Journal of Economic Modelling and Econometrics
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International Journal of Mathematical Modelling and Numerical Optimisation
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International Journal of Engineering Systems Modelling and SImulation
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International Journal of Data Mining Modelling and Management
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International Journal of Vehicle Systems Modelling and Testing
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Journal of Mathematical Modelling and Algorithms in Operations Research
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RUSSIAN JOURNAL OF NUMERICAL ANALYSIS AND MATHEMATICAL MODELLING
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The effect of chitosan concentration and molecular weight on endotoxin content
Open Research DataThe dataset includes results to determine the effect of chitosan concentration and molecular weight on endotoxin content as well as the effect of purification methods. The endotoxin concentration was determined using the PyroGene Recombinant Factor C Endpoint Fluorescent Assay. Chitosan 0.6% in 0.1M glycolic acid from Chemat LMW, MMW, and HMW were used...
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Computer modeling and testing of structural metamaterials
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The CFD modeling in bioreactor tracer studies
PublicationW artykule zaprezentowano badania traserowe w bioreaktorach z osadem czynnym. Przedstawiono efekty działania procesu dyspersji na podstawie obliczonych podłużnych profili koncentracji znacznika w komorach osadu czynnego zlokalizowanych na Oczyszczalni Ścieków "Wschód" w Gdańsku. W ramach badań wykonano symulację przepływu substancji nieaktywnej (bazując na pomierzonych profilach stężenia znacznika) stosując jednowymiarowe równanie...
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ENTERPRISE ACTIVITIES MODELING BY BPMN NOTATION
PublicationDepending on the process behavior, available know-how and organizational goals, different techniques and tools can be used for business process modeling. We concentrate on e-commerce, and try to find the best marketing strategy for the sales process improvement. In the paper we present the multilayer approach to define enterprise scenarios. This allows us to collect the suitable knowledge necessary for enterprise analysis and improvement....
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Modeling of light propagation in canine gingiva
PublicationThis study is a preliminary evaluation of the effectivenes of laser-based surgery of maxillary and mandibular bone in dogs. Current methods of gingivial surgery in dogs require the use of general anaesthesia.1, 2 The proposed methods of laser surgery can be performed on conscious dogs, which substantially reduces the associated risks. Two choices of lasers, Nd:YAG and a 930 nm semiconductor lasers were evaluated. The former is...
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Grand Challenges on the Theory of Modeling and Simulation
PublicationModeling & Simulation (M&S) is used in many different fields and has made many significant contributions. As a field in its own right, there have been many advances in methodologies and technologies. In 2002 a workshop was held in Dagstuhl, Germany, to reflect on the grand challenges facing M&S. Ten years on, a series of M& S Grand Challenge activities are marking a decade of progress and are providing an opportunity to reflect...
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Modeling of nonlinear generation in a bubble layer
PublicationPraca prezentuje numeryczne podejście do zagadnienia liniowego i nieliniowego rozpraszania w warstwie z pęcherzykami. Badania numeryczne niekoherentnego rozpraszania wykonano stosując metodę Monte Carlo. Propagację i wsteczne rozpraszanie sygnałów badano w oparciu o równanie Rayleigha-Plesseta.
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Fundamentals of Data-Driven Surrogate Modeling
PublicationThe primary topic of the book is surrogate modeling and surrogate-based design of high-frequency structures. The purpose of the first two chapters is to provide the reader with an overview of the two most important classes of modeling methods, data-driven (or approx-imation), as well as physics-based ones. These are covered in Chap-ters 1 and 2, respectively. The remaining parts of the book give an exposition of the specific aspects...
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Fundamentals of Physics-Based Surrogate Modeling
PublicationChapter 1 was focused on data-driven (or approximation-based) modeling methods. The second major class of surrogates are physics-based models outlined in this chapter. Although they are not as popular, their importance is growing because of the challenges related to construction and handling of approximation surrogates for many real-world problems. The high cost of evaluating computational models, nonlinearity of system responses,...
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Modeling emotions for affect-aware applications
PublicationThe chapter concerns emotional states representation and modeling for software systems, that deal with human affect. A review of emotion representation models is provided, including discrete, dimensional and componential models. The paper provides also analysis of emotion models used in diverse types of affect-aware applications: games, mood trackers or tutoring systems. The analysis is supported with two design cases. The study...
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Alternative Modeling of Volunteer Based Systems
PublicationThe canonical approach to model a flow of a voluntary based computing, as presented in Chapter 7 may tax the capacity of the simulator, especially when a more complex model of Voluntary Computing, proposed in [1], is used which would imply that, for typical heterogeneous groups of volunteers, several thousands of threads would have to be run inside the simulator, to mimic closely the behaviour of every volunteer. This chapter presents...
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Modeling Parallel Applications in the MERPSYS Environment
PublicationThe chapter presents how to model parallel computational applications for which simulation of execution in a large-scale parallel or distributed environment is performed within the MERPSYS environment. Specifically, it is shown what approaches can be adopted to model key paradigms often used for parallel applications: master-slave, geometric parallelism (single program multiple data), pipelined and divide-and-conquer applications....
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Application of muscle model to the musculoskeletal modeling
PublicationThe purpose of this paper is to investigate new fusiform muscle models. Each of these models treats a muscle as a system composedof parts characterized by different mechanical properties. These models explain the influence of differences in the stiffness of lateral parts and the degree of muscle model discretization. Each muscle model is described by a system of differential equations and a single integro-differential equation....
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Modeling of Human Tissue for Medical Purposes
PublicationThe paper describes the possibilities offered for medicine by modeling of human tissue using virtual and augmented reality. It also presents three proposals of breast modeling for the use in clinical practice. These proposals are the result of arrangements of medical and computer scientists team (the authors) and will be pursued and implemented in the near future. There is included also a brief description of the most popular methods...
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Modeling Dynamics of Autonomous Underwater Vehicle.
PublicationArtykuł dotyczy budowy modelu autonomicznego pojazdu podwodnego do celów syntezy układu sterowania pojazdem. Rozważany pojazd ma długośc ok. 1 m i 30 cm średnicy. Wyposażony jest w 5 pędników, które pozwalają na sterowanie w pięciu stopniach swobody. Do badań wykorzystano model o 4 stopniach swobody. Dokonano identyfikacji parametrycznej modelu. Model zrealizowano w środowisku programowym Matlab/Simulink.
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Systems modeling and simulation for environmental management.
PublicationW pracy omówiono podstawy systemowego modelowania i symulacji w szerokim zakresie zagadnień związanych z zarządzaniem przepływami informacji w środowisko naturalnym.
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On constitutive modeling for technical woven fabric
PublicationW pracy przestawiono kilka modeli konstytutywnych przyjmowanych do opisu zachowania się tkanin technicznych. Oprócz modeli zaczerpniętych z literatury autorzy prezentują własną koncepcje modelu stanowiąca rozszerzenie modelu sieci gęstej.This paper describes several types of the constitutive models used for the technical woven fabric description. Besides of the literatures examples of the constitutive models, the authors presented...
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A methodology of visual modeling language evaluation
PublicationMetody oceny jakości metod modelowania są istotnym elementem inżynierii języków modelowania wizualnego. W referacie zaproponowano metodę oceny języków modelowania wizualnego na podstawie wymiarów poznawczych. Zaprezentowano metodologiczną dyskusję zastosowania nauk psychologicznych do oceny metod modelowania, metodologię CD-VML, powiązaną z nią metodę CD-VML-UC do oceny przypadków użycia oraz weryfikację metodologii.
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Numerical modeling of quantum dynamical processes
PublicationIn this dissertation I present a high-precision (15, 18 or 33 decimal places) C++ implementation of quantum dynamics time propagation algorithms for both time-independent and time-dependent Hamiltonian with an inhomogeneous source term. Moreover I present an extension of both algorithms for time propagation to handle arbitrary number of coupled electronic levels. I have performed a careful validation of these implementations comparing...
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Modeling energy consumption of parallel applications
PublicationThe paper presents modeling and simulation of energy consumption of two types of parallel applications: geometric Single Program Multiple Data (SPMD) and divide-and-conquer (DAC). Simulation is performed in a new MERPSYS environment. Model of an application uses the Java language with extension representing message exchange between processes working in parallel. Simulation is performed by running threads representing distinct process...
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Modeling SPMD Application Execution Time
PublicationParallel applications in a Single Process Multiple Data paradigm assume splitting huge amounts of data to multiple processors working in parallel at small data packets. As the individual data packets are not independent, the processors must interact with each other to exchange results of the calculations with their adjacent partners and take these results into account in their own computations. An example of SPMD is geometric parallelism...
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Modeling DAC Application Execution Time
PublicationAn application written in the Divide And Conquer paradigm is more difficult to model than SPMD application because of complex algorithm, causing use of many coefficients in a computational complexity function. Processors are divided into various layers, each layer contains different number of processors. Data packets processed in different layers and transferred between layers have different length. Moreover first layer processors use...
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Modeling bioaugmentation with nitrifiers in membrane bioreactors
PublicationBioaugmentation with nitrifiers was studied using two pilot-scale membrane bioreactors, with the purpose of assessing the suitability of state-of-the-art activated sludge models (ASMs) in predicting the efficiency of bioaugmentation as a function of operating conditions. It was demonstrated that the temperature difference between seeding and seeded reactors (ΔT) affects bioaugmentation efficiency. Experimental data were accurately...
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Molecular properties with dual basis set methods
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Coherent electron transport in hydrocarbon molecular devices
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Hubbard operators approach to the transport in molecular junctions
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Molecular basis of TRF proteins and their interactions with peptides
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Molecular dynamics simulation of polymerization of p-xylylene
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