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Search results for: moleular modelling
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Usability of UML modeling tools
PublicationNarzędzia wspomagające modelowanie w UML pełnią istotną rolę w procesie wytwarzania i utrzymania oprogramowania. Badanie użyteczności tych narzędzi ma na celu poprawę produktywności oraz satysfakcji z ich użytkowania. W referacie zaprezentowano badania użyteczności za pomocą trzech metod: eksperymentalnego testowania efektywności, zapytań o aspekty użyteczności testowanych narzędzi oraz analitycznej metody GOMS (ang. Goals, Operators,...
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Adsorption onto zeolites: molecular perspective
Publication2D minerals are among key elements of advanced systems, but the need for understanding their interactions/reactions with materials and systems in which they are involved necessitates tracking their molecular and atomic monitoring. Zeolitic structures are microporous materials formed in the nature through volcanic activities or synthesis. Because of their outstanding physicochemical properties like cation exchange capacity and excellent...
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Fifth Workshop on Atomic and Molecular Physics
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Probing Radiation Damage at the Molecular Level
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Generating molecular entities as structured data
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The molecular entities in linked data dataset
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Molecular Analysis of Retrogradation of Corn Starches
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Cellular and molecular basis of thyroid autoimmunity
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Molecular Origin of Anticooperativity in Hydrophobic Association
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Molecular Dynamics Studies on Amyloidogenic Proteins
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Molecular Dynamics Studies on Amyloidogenic Proteins
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An ancestral molecular response to nanomaterial particulates
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ELECTRON ATTACHMENT TO HETEROGENEOUS MOLECULAR CLUSTERS
PublicationHeterogeneous clusters are unique model species enabling studies of bulk and surface processes by vacuum restricted methods. This is of particular importance for the reactions of low-energy electrons which have extremely short penetration depth in bulk environments. This contribution overviews our recent experiments with low-energy electrons and clusters prepared by different techniques. First, the deposition of molecules on argon...
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Antimicrobial molecular nanocarrier–drug conjugates
PublicationMany antimicrobial drugs are poorly active against pathogenic microbes causing intracellular infections, such as Mycobacterium tuberculosis or Plasmodium falciparum. On the other hand, several known antimicrobial agents are not effective enough because of their limited cellular penetration. A common feature of both challenges is the inability of an active agent to cross the biological membrane(s). One of the possible approaches...
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Molecular structure and electrochemical properties of alkyldithiocarbamates.
PublicationZastosowano klasyczne metody elektroanalityczne do badania właściwości redoks ditiokarbaminianów litu w środowisku dimetylosulfotlenku. Użyto elektrody z platyny i węgla szklistego. Badane związki zsyntezowano z N,N'-dimetyloetylenodiaminy, do której podstawiono jedną lub dwie grupy ditiokarbonylowe na drodze reakcji z CS2 w środowisku alkalicznym. Stwierdzono, że elektrochemiczne utlenianie ditiokarbaminianów przebiega z udziałem...
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Modelling of performance of an AUV stealth vehicle. Design for operation.
PublicationIn the paper some results of research connected with modelling of performance and risk assessment of an AUV stealth vehicle are presented. A general approach to design of the stealth AUV autonomous underwater vehicle under consideration is introduced. The basic stealth characteristics of the AUV stealth vehicle are briefly described. The method of research is introduced. The AUV stealth vehicle concept is presented including the...
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Shales Leaching Modelling for Prediction of Flowback Fluid Composition
PublicationThe object of the paper is the prediction of flowback fluid composition at a laboratory scale, for which a new approach is described. The authors define leaching as a flowback fluid generation related to the shale processing. In the first step shale rock was characterized using X-ray fluorescence spectroscopy, X-ray diractometry and laboratory analysis. It was proven that shale rock samples taken from the selected sections of horizontal...
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Modelling of Abdominal Wall Under Uncertainty of Material Properties
PublicationThe paper concerns abdominal wall modelling. The accurate prediction and simulation of abdominal wall mechanics are important in the context of optimization of ventral hernia repair. The shell Finite Element model is considered, as the one which can be used in patient-specific approach due to relatively easy geometry generation. However, there are uncertainties in this issue, e.g. related to mechanical properties since the properties...
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Modelling of dielectric properties of BiNbO4-based microwave ceramics
PublicationIn the present paper results of the studies devoted to computer simulations of dielectric response of electroceramics in a frequency domain as well as analysis of the experimental data are given. As an object of investigations BiNbO4-based microwave ceramics was taken. Simulations of the hypothetical impedance response of the ceramic system were performed under assumption of the brick-layer model. A strategy for analysis and modelling...
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Advances in Modelling and Analysis of Strength of Corroded Ship Structures
PublicationThe present study reviews the recent advances in modelling and analyses the strength of corroded ship structures. Firstly, the time-variant methodologies that consider only the mean structural element thickness loss due to corrosion degradation are identified. Corrosion degradation is regarded as the phenomenon that causes uneven thinning of specimens. This has been captured by various researchers as the loss of mechanical properties...
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Mechatronics design, modelling and controlling of the Stewart-Gough platform
PublicationThis paper presents a mechatronics design of a low cost Stewart-Gough platform (SGP) with rotary actuators. The designed SGP is supposed to be applied in a ball & plate control system. The synthesis of the ball & plate control system is also within the subject of the paper. A mechatronics design process of the SGP was conducted with computer-aided design (CAD) software. Unique analytical solutions of an inverse kinematics problem...
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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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Modelling the set of earthworks machinery with the use of computer simulation
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On finite element modelling of architectural fabrics for hanging roofs
PublicationArtykuł dotyczy modelowania konstytutywnego i identyfikacji parametrów materiałowych dla tkanin technicznych powszechnie stosowanych w konstrukcjach membranowo-cięgnowych. Autorzy przedstawiają krótką charakterystyke modeli stosowanych w opisie zachowania sie tkanin technicznych. Opisano metodę do idetyfikacji nieliniowo-sprężystych właściwości tkanin technicznych. Dodatkowo dokonao porówania wyników z prób jednoosiowego rozciągania...
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Nonlinear control systems modelling: global vs. local
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Using UML/WS-CDL for modelling negotiation scenarios
PublicationW celu usprawnienia realizacji przedsięwzięć ludzkich w Internecie potrzebne jest zdefiniowanie reguł i procedur komunikacji pomiędzy uczestnikami. Scenariusze przedsięwzięć mogą być wyrażane w językach opisu choreografii. Artykuł prezentuje metodologię tworzenia scenariuszy w języku WS-CDL oraz wyniki eksperymentów polegających na przeprowadzeniu negocjacji w Internecie z wykorzystaniem różnych scenariuszy negocjacyjnych.
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Modelling of acoustic heating induced by different types of sound
PublicationWyprowadzono równanie dynamiczne sterujące ogrzewaniem na skutek strat energii fali akustycznej dowolnego typu, okresowej i nieokresowej, w płynie ze standardową dyssypacją i przewodnictwem ciepła. Zbadano efektywność ogrzewania w przypadku dźwięku stochastycznego i regularnego.
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Modelling and analysis of medium frequency transformers for power converters
PublicationThe evolutions in power systems and electric vehicles, related to the economic opportunities and the environmental issues, bring the need of high power galvanically isolated DC-DC converter. The medium frequency transformer (MFT) is one of its key components, enabled by the increasing switching frequency of modern power semiconductors like silicon carbide transistors or diodes. The increased operating frequency offers small...
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Machine Learning Modelling and Feature Engineering in Seismology Experiment
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Port-Based Modelling of Distributed-Lumped Parameter Systems
PublicationThere in the paper is presented an uniform, port-based approach to modelling of both lumped and distributed parameter systems. Port-based model of the distributed system has been defined by application of bond graph methodology and distributed transfer function method (DTFM). The approach proposed combines versatility of port-based modelling and accuracy of distributed transfer function method. The concise representation of lumped-distributed...
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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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Numerical FDM modelling of wave propagation in concrete structure
PublicationThe article presents application of finite difference method to damage detection and its size evaluation in concrete structure by elastic wave propagation method. The simulations of wave propagation in concrete structure were performed for six different damage scenarios. Damages were modelled as areas with changed material properties. Investigation focused on the influence of damage size on the energy of wave reflection. Presented...
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GIS three-dimensional Modelling with geo-informatics techniques
PublicationThe integration issue of virtual models and geo-referenced database have a very broad spectrum of potential applications. Before the integration issue was on the cusp, it was quite problematic to combine three-dimensional models with the geo-referenced database. An integrated database contains a variety of data including such as object orientated data model and raster data. Within this paper, authors present an integration process...
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Hysteresis modelling of a medium frequency single-phase transformer
PublicationThe article describes a feedback Preisach hysteresis model equivalent circuit implementation of a medium frequency single-phase transformer being a part of a high power and high efficiency DC-DC converter. The macroscopic models of magnetic hysteresis are introduced and the feedback Preisach model is selected for further analysis. The hysteresis model is developed for a prototype transformer and the hysteresis loops are compared...
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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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Wind Turbine Operation in Electric Power System.Advanced Modelling
PublicationW monografii przedstawiono zagadnienia związane z pracą elektrowni wiatrowych w systemie elektroenergetycznym, a w tym przedstawiono wpływ elektrowni wiatrowych na system elektroenergetyczny (jakość energii elektrycznej). Omówiono zasady modelowania elektrowni wiatrowych różnych typów, tj. z generatorami asynchronicznymi i synchronicznymi, pracujących w systemie elektroenergetycznym. Przestawiono wybrane modele elektrowni wiatrowych...
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Modelling of vertical wall influence on the single bubble motion.
PublicationW referacie zaprezentowano rezultaty badań eksperymentalnych i modelowania matematycznego siły odpychającej, działającej na model pęcherzyka przepływający wzdłuż ściany pionowej. Zaobserwowano okresowy charakter tej siły oraz stwierdzono, że zależy ona od liczby Reynoldsa. Porównanie obliczonych i zmierzonych wartości siły wykazało satysfakcjonującą zgodność.
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Modelling of flow boiling process in small diameter tubes.
PublicationW pracy zastosowano standardową korelację wrzenia w przepływie (wyprowadzoną dla rur o konwencjonalnych wymiarach) do przypadków wrzenia w rurach o małych średnicach. Porównanie wyników obliczeń z danymi literaturowymi wykazało nieużyteczność tej korelacji. Wykazano zatem potrzebę prowadzenia badań podstawowych celem uzyskania korelacji pozwalającej umiejętnie przewidywać warunki wymiany ciepła w kanałach o małych średnicach.
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Modelling a 6-dof manipulator using Matlab software
PublicationThis paper presents an alternative approach to modelling a revolute robot. The manipulator in question is Kuka KR 16-2. The main problem in robot modelling is a kinematic analysis. The revolute robot consist of six rotary joints (6-DOF) with base, shoulder, elbow and wirst. The kinematics problem is defined as a transformation from the cartesian space to the joint space. The Denavit- Hartenberg (D-H) model of representation was...
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Analytical method of modelling the geometric system of communication route
PublicationThe paper presents a new analytical approach to modelling the curvature of a communication route by making use of differential equations. The method makes it possible to identify both linear and nonlinear curvature. It enables us to join curves of the same or opposite signs of curvature. Solutions of problems for linear change of curvature and selected variants of nonlinear curvature in polynomial and trigonometric form were analyzed....
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COMPREHENSIVE MODELLING OF THE COST EFFECTIVNESS OF RAILWAY LINE ELECTRIFICATION
PublicationSubject 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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A two dimensional approach for modelling of pennate muscle behaviour
PublicationThe purpose of this study was to elaborate a two-dimensional approach for unipennate and bipennate striated skeletal muscle modelling. Behavior of chosen flat pennate muscle is modelled as a rheological system composed of serially linked passive and active fragments having different mechanical properties. Each fragment is composed of three elements: mass element, elastic element and viscous element. Each active fragment furthermore...
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Secondary arc modelling for single pole reclosing analyses
PublicationThe paper discusses two evaluation methods of single pole auto-reclosing process effectiveness in HV transmission lines. Secondary arc current and recovery voltage calculation results obtained by load flow calculation are compared to the results obtained by the time domain simulations. Moreover, a nonlinear secondary arc model implementation is presented. The paper presents the study results for the three types of EHV transmission...
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Strength parameters of masonry walls in modelling historic constructions
PublicationThe paper presents the determination of the basic material properties of a historic brickwork. Experimental studies were used to identify the basic material properties of bricks. The mechanical properties of the masonry, as an orthotropic homogenized material, were calculated. Then, numerical simulations using the Finite Element Method (FEM) were performed to verify the experimental outcomes. Macromodels with element sizes of 40,...
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Applying Generative Modelling Tools to Explore Architectural Forms
PublicationThe digital generative methods open up new areas for exploration of formal and tectonic features, accentuate form’s ability to emerge and perform. They allow for automatic generation of variations of solutions, and digital production of “difficult” components of architectural forms using CNC technology.The paper deals with contemporary architectural explorations of complex , curvilinear surfaces in the context of generative...
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GENERALISED HERSCHEL MODEL APPLIED TO BLOOD FLOW MODELLING
PublicationThis paper introduces a new rheological model of blood as a certain generalisation of the standard Herschel-Bulkley model. This model is a rheological constitutive equation and belongs to the group of the so-called generalised Newtonian fluids. Experimental data is compared with results, obtained from the new model, to demonstrate that it allows for the best agreement together with Luo-Kuang model. The new model may be easily implemented...
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THE MODELLING OF ACCUMULATION AND DISSIPATION OF ENERGY IN MECHANICAL DRIVE SYSTEM
PublicationThis paper presents a modelling of accumulation and dissipation energy in simple drive system. The simple drive system is presented by laboratory stand designed for calculate fatigue life of material for bending and rotation tests pieces. The laboratory stand was prepared to diagnosis of fatigue life of material by use energetic methods. This idea was submitted as utility model to Polish Patent Office. This laboratory stand gives...