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Search results for: MOLECULAR MODELLING
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Modelling of elastic wave propagation in a bolted joint using a thin layer of shell elements
PublicationThere are many mathematical models describing the propagation of elastic waves through the imperfect boundary of two media. They were successfully applied to modelling of high frequency bulk waves and their interaction with local defects. On the other hand, the existing literature models of bolted connections ignore the aspect of imperfect connection between elements. Therefore, this paper presents the concept of application of...
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Modelling of Longitudinal Elastic Wave Propagation in a Steel Rod Using the Discrete Element Method
PublicationThe paper deals with the issue of modelling elastic wave propagation using the discrete element method (DEM). The case of a longitudinal wave in a rod with a circular cross-section was considered. A novel, complex algorithm consisting of the preparation of models and simulation of elastic waves was developed. A series of DEM models were prepared for simulations, differing in discretisation and material parameters. Additional calculations...
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REVIEW OF CURRENT RESEARCH ON CHITOSAN AS A RAW MATERIAL IN THREE-DIMENSIONAL PRINTING TECHNOLOGY IN BIOMEDICAL APPLICATIONS
PublicationThree-dimensional (3D) biomaterial manufacturing strategies show an extraordinary driving force for the development of innovative solutions in the biomedical sector, including drug delivery systems, disease modelling and tissue and organ engineering. Due to its remarkable and promising biological and structural properties, chitosan has been widely studied for decades in several potential applications in the biomedical field. However,...
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The methods of design reliable distributed networks
PublicationOpisano dwie metody projektowania niezawodnych sieci rozległych. W pierwszej metodzie przyjęto, że koszt konstrukcji każdego połączenia jest jednakowy, w drugiej koszty opisuje zadana macierz kosztów. Jako parametr niezawodnościowy przyjęto liczbę niezależnych dróg pomiędzy węzłami sieci. Pierwsza z metod jest metodą dokładną, druga heurystyczną. Zdefiniowano i oceniono błąd metody heurystycznej. Opublikowano wyniki otrzymane...
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Non-regular, incomplete and singular dynamical systems: impasse points indynamical systems
PublicationRozważono nieregularne, niezupełne i osobliwe różniczkowe systemy dynamicznez zastosowaniem metod geometrii różniczkowej.
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Qualitative and quantitative mechanisms in managing IT projects in concur-rent engineering environment
PublicationW artykule przedstawiono wprowadzenie do twardych i miękkich moetod modelowania. Nastepnie wprowadzono czytelnika do obszaru inżynierii równoległej (współzadaniowej). Całość zaproponowano jakośrodowisko wspomagania decyzji w procesach zarządzania złożonymi międzynarodowymi projektami badawczymi w obszaru Information Technology.
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I-lossless factorisations for robust H-inf-control in delta-domain
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Robust pole placement in delta domain for SISO plans
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MERPSYS: An environment for simulation of parallel application execution on large scale HPC systems
PublicationIn this paper we present a new environment called MERPSYS that allows simulation of parallel application execution time on cluster-based systems. The environment offers a modeling application using the Java language extended with methods representing message passing type communication routines. It also offers a graphical interface for building a system model that incorporates various hardware components such as CPUs, GPUs, interconnects...
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Efficient parallel implementation of crowd simulation using a hybrid CPU+GPU high performance computing system
PublicationIn the paper we present a modern efficient parallel OpenMP+CUDA implementation of crowd simulation for hybrid CPU+GPU systems and demonstrate its higher performance over CPU-only and GPU-only implementations for several problem sizes including 10 000, 50 000, 100 000, 500 000 and 1 000 000 agents. We show how performance varies for various tile sizes and what CPU–GPU load balancing settings shall be preferred for various domain...
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Seeking genetic signature of radiosensitivity - a novel method for data analysis in case of small sample sizes
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Ships Shore Service Optimization Using the Queueing Theory
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Invariant measures for interval translations and some other piecewise continuous maps
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Geometric methods in dynamical systems modelling: electrical, mechanical and control systems
PublicationRozważono zagadnienia modelowania systemów dynamicznych z zastosowaniem metod geometrii różniczkowej. Równania dynamiczne otrzymano w postaci inkluzji różniczkowych. Przestrzenie konstytucyjne przyjęto w postaci subwiązek włóknistych. Rozważono przestrzenie konstytucyjne układów elektrycznych, układów mechanicznych i układów sterowania. Podstawowe wyniki pracy dotyczą struktury przestrzeni rozwiązań rozważanych systemów.
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Robust design in delta domain for SISO plants: PI and PID controllers
PublicationW pracy przedstawiono zunifikowaną metodę numerycznie odpornej syntezy sterowników (regulatorów) działających w dyskretnym czasie w układach sterowania skalarnymi obiektami czasu ciągłego. Wykorzystano dyskretnoczasowe modele takich obiektów, oparte na tak zwanym operatorze delta, charakteryzującym się korzystnymi odpornościowymi cechami w przypadku stosowania dostatecznie małych wartości okresu próbkowania przetwarzanych sygnałów....
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Conceptual system development in a concurrent environment
PublicationW artykule omówiono możliwości wspomagania jednego z najważniejszych obszarów projektowania, a mianowicie projektowania koncepcyjnego. Rozważania te odniesiono do otoczenia inżynierii wspozadaniowej, co dodatkowo skomplikowano problemy decyzyjne podejmowane na tym etapie projektowania. Zaproponowano szereg elementów wspomagania projektowania koncepcyjnego ze szczególnym uwzględnieniem możliwości praktycznej implementacji takiego...
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Cost‐efficient performance‐driven modelling of multi‐band antennas by variable‐fidelity electromagnetic simulations and customized space mapping
PublicationElectromagnetic (EM) simulations have become an indispensable tool in the design of contemporary antennas. EM‐driven tasks, for example, parametric optimization, entail considerable computational efforts, which may be reduced by employing surrogate models. Yet, data‐driven modelling of antenna characteristics is largely hindered by the curse of dimensionality. This may be addressed using the recently reported domain‐confinement...
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Role patterns in IT projects teams - design of a selection module using fuzzy logic techniques
PublicationPresented paper introduces an approach based on usage of role patterns and modelling by the use of fuzzy logic tool for selection process with limitation to the area of IT projects environment. The article shows a concept of role patterns structures and their further usage in process of forming a fuzzy model dedicated to candidate assessment process support
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Modelling of blood flow: from macro to microscales
PublicationThe aim of this paper it to review various scale approaches to blood flow modelling. Blood motion may be described by three types of mathematical models according to the observed scales or resolutions, namely microscopic, mesoscopic and macroscopic description. The above approaches are discussed together with their advantages and disadvantages. Several results of mesoscopic simulations are presented.
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New Concept of Numerical Ship Motion Modelling for Total Ship Operability Analysis by Integrating Ship and Environment Under One Overall System
PublicationThe paper presents a new concept of overall ship motion modelling for application to total ship operability. The delivered model is a multi-phase and includes both submerged part of ship’s hull and the surrounding water as a unique body. The Discrete Finite Element Method is applied. The model is successfully examined and illustrated for a selected AHTS.
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Fractional Order Circuit Elements Derived from Electromagnetism
PublicationIn this paper, derivations of fractional-order (FO) circuit-element equations from electromagnetism are presented. Whilst many papers are devoted to FO modelling of electrical circuits, there are no strong foundations for such an approach. Therefore, we investigate relations between the FO electromagnetism and the FO circuit theory. Our derivations start from quasi-static (QS) approximations of Maxwell's equations in media with...
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Improved Uniform Sampling in Constrained Domains for Data-Driven Modelling of Antennas
PublicationData-driven surrogate modelling of antenna structures is an attractive way of accelerating the design process, in particular, parametric optimization. In practice, construction of surrogates is hindered by curse of dimensionality as well as wide ranges of geometry parameters that need to be covered in order to make the model useful. These difficulties can be alleviated by constrained performance-driven modelling with the surrogate...
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Selected aspects of customization of cognitive dimensions for evaluation of visual modeling languages.
PublicationFor the successful application of diagrams in software engineering, high quality visual modelling languages (VML) are required. There is a need for new effective methodologies of VML evaluation. This paper discusses selected aspects of applying cognitive dimensions as a basis of the evaluation. Then, it briefly presents CD-VML methodology which integrates the cognitive dimensions with a theory of visual modelling languages. Finally,...
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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...
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Numerical Modelling of Forced Convection of Nanofluids in Smooth, Round Tubes: A Review
PublicationA comprehensive review of published works dealing with numerical modelling of forced convection heat transfer and hydrodynamics of nanofluids is presented. Due to the extensive literature, the review is limited to straight, smooth, circular tubes, as this is the basic geometry in shell-and-tube exchangers. Works on numerical modelling of forced convection in tubes are presented chronologically in the first part of the article....
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Respiratory system modelling and simulation basing on the forced oscilation technique
PublicationConventional methods of testing lung functioning demand a specific respiratory action of the patient. In contrast, the forced oscillation technique (fot) provides measurements obtained with a minimal cooperation of the subject. The aim of this study is to verify the usefulness of the forced oscillation technique modelling in respiratory system diagnosing. in order to do it two models of fot measurements have been considered: the...
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On Non-holonomic Boundary Conditions within the Nonlinear Cosserat Continuum
PublicationWithin the framework of the nonlinear micropolar elastic continuum we discuss non-holonomic kinematic boundary conditions. By non-holonomic boundary conditions we mean linear relations between virtual displacements and virtual rotations given on the boundary. Such boundary conditions can be used for modelling of complex material interactions in the vicinity of the boundaries and interfaces.
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The particle method for simulation of self-organization phenomena
PublicationThe aim of the work was to design, implement, and use, in a number of experiments, an abstract software environment (an artificial world)suitable for modelling systems consisting of many moving and interactingobjects distributed in space. The environment, named DigiHive, is directed towards modeling of complex systems manifested by processes of self-organization, self-reproduction and self modifications. The environment is mainly...
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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublicationOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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Computational algorithm for the analysis of mechatronic systems with distributed parameter elements
PublicationThe paper presents a systematic computational package for analysis of complex systems composed of multiple lumped and distributed parameter subsystems. The algorithm is based on the transfer function method (DTFM). With this algorithm, a bond graph technique for the modelling is developed to simplify computations. Analysis of different systems requires only changing the inputs data in the form of the bond graph diagram
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Modelling of pipes conveying flowing liquid
PublicationThe paper introduces the method of modal reduction of system which consists of pipe with flowing liquid. The concept of hybrid model is proposed. The system model consists of two parts, the modal model and the finite elements model. The modal model represents linear, self-adjoined part of the system, while simple lumped technique is applied for modelling of Coriolis phenomena.
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Secure access control and information protection mechanisms in radio system for monitoring and acquisition of data from traffic enforcement cameras
PublicationThe study presents the architecture of the Radio System for Monitoring and Acquisition of Data from Traffic Enforcement Cameras (in short: RSMAD), particularly concerning access control and protection of confidential data. RSMAD security structure will be discussed in relation to network security issues. Additionally, the paper presents the results of the work associated with the modelling of potential threats to system security.
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Coupled Urban Areas Inundation Model with Interaction Between Storm Water System and Surface Flow - Case Study of Sea Level Impact on Seaside Areas Flooding
PublicationInundations are becoming more frequent than ever. What is connected with increasing area of impervious surface in cities. This makes predicting urban flooding and its scale especially important. At the seaside we observe additional conditions such as sea level that makes accurate numerical modelling of issue even harder. With complex approach to the matter which is simultaneous calculation of storm water conduit flow and overland...
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Linear viscoelastic modelling of damage-involved structural pounding during earthquakes
PublicationDamage-involved structural pounding during earthquakes has been recently intensively studied using different impact force models. The results of the previous studies indicate that the linear viscoelastic model is relatively simple yet accurate in modelling pounding-involved behaviour of structures during earthquakes. The only shortcoming of the model is a negative value of the pounding force occurring just before separation, which...
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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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Using FreeFEM open software for modelling the vibrations of piezoelectric devices
PublicationModelling vibrations of piezoelectric transducers has been a topic discussed in the literature for many decades. The first models - so-called one-dimensional - describe the vibrations only near operating frequency and near its harmonics. Attempts to introduce two-dimensional models were related to the possibility of one transducer working at several frequencies, including both thickness vibrations and those resulting from the transducer...
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The new investing effectiveness evaluation multi-criteria method in modern supply systems
PublicationThe important problem in the processes of modelling and programming the development of sustainable energy sector is the multi-criteria manner of assessing the effectiveness of investments. The goal of this paper is to show how to take into account the impact of investments in multidimensional modelling decision-making processes. This goal can be achieved through the development, presentation, and use of a new multi-criteria method...
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Influence of Added Water Mass on Ship Structure Vibration Parameters in Virtual and Real Conditions
PublicationModelling of ship structures in a virtual environment is now standard practice. Unfortunately, many engineers forget to consideri the influence of added water on the frequency values and the amplitude of natural vibrations. The article presents the effect of water damping on the frequency values of the individual natural vibration modes. The tests were carried out in two stages. First, the mentioned values were determined using...
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Adaptive Dynamical Systems Modelling of Transformational Organizational Change: with Focus on Organizational Culture and Organizational Learning
PublicationTransformative Organizational Change becomes more and more significant both practically and academically, especially in the context of organizational culture and learning. However computational modeling and a formalization of organizational change and learning processes are still largely unexplored. This paper aims to provide an adaptive network model of transformative organizational change and translate a selection of organizational...
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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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Adaptive Dynamical Systems Modelling of Transformational Organizational Change with Focus on Organizational Culture and Organizational Learning
PublicationTransformative Organizational Change becomes more and more significant both practically and academically, especially in the context of organizational culture and learning. However computational modeling and a formalization of organizational change and learning processes are still largely unexplored. This paper aims to provide an adaptive network model of transformative organizational change and translate a selection of organizational...
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Research on flue gas flow measurement and modelling in the moving grate biomass boiler
PublicationThe aim of this research was to determine the nature of gas flow in a grate boiler model by the method of Particle Image Velocimetry (PIV) and CFD. The paper presents the comparison of the PIV results with numerical simulations made in the environment of ANSYS Fluent. The main goal of the experiment was to describe the phenomena occurring on the grate. Methodology of modelling solid fuel combustion on the moving grate was proposed...
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On a Method of Efficiency Increasing in Kaplan Turbine
PublicationThis paper presents a method of increasing efficiency in Kaplan-type turbine. The method is based on blade profile optimisation together with modelling the interaction between rotor and stator blades. Loss coefficient was chosen as the optimisation criterion, which is related directly to efficiency. Global optimum was found by means of Genetic Algorithms, and Artificial Neural Networks were utilised for approximations to reduce...
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Modelling of Geared Multi-Rotor System
PublicationIn the paper the method of modelling a speed-varying geared rotor system is presented. The proposed approach enables us to obtain an accurate low-order lumped parameter representation of the investigated system. The final model consists of reduced modal models of an undamped beam/torsional shaft system as well as a spatially lumped model of other linear and nonlinear phenomena including gear mesh interaction.
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How to model ROC curves - a credit scoring perspective
PublicationROC curves, which derive from signal detection theory, are widely used to assess binary classifiers in various domains. The AUROC (area under the ROC curve) ratio or its transformations (the Gini coefficient) belong to the most widely used synthetic measures of the separation power of classification models, such as medical diagnostic tests or credit scoring. Frequently a need arises to model an ROC curve. In the biostatistical...
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Modelling of heat transfer in supercritical pressure recuperators
PublicationIn the paper presented is analysis of convective flow heat transfer at supercritical pressure in channels of heat exchanger working in the thermodynamic cycle. The modelling is based on the division of the flow into three regions, namely the heavy fluid, a two phase flow consisting of the heavy and light fluids and finally the light fluid flow. Modelling is concentrated on the region of simultaneous flow of two fluids divided into...
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Planning optimised multi-tasking operations under the capability for parallel machining
PublicationThe advent of advanced multi-tasking machines (MTMs) in the metalworking industry has provided the opportunity for more efficient parallel machining as compared to traditional sequential processing. It entailed the need for developing appropriate reasoning schemes for efficient process planning to take advantage of machining capabilities inherent in these machines. This paper addresses an adequate methodical approach for a non-linear...
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Advances in analysis, quantification and modelling of N2O emission in SBRs under various DO set points
PublicationNitrous oxide (N2O), considered a major greenhouse gas (GHG) in wastewater treatment plants (WWTPs), is produced during both nitrification and denitrification processes; hence, it needs to be controlled by internal and external strategies. Various factors, such as DO, temperature, and pH, could be incorporated into the mitigation of emissions in WWTPs. In this research, potential operational strategies were investigated in order...
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Business Process Modelling and Enterprise Improvement Analysis
PublicationThe main trends in developing an approach and tools for business process modelling are discussed. Business Process Management (BPM) and BPM Notation (BPMN) are presented. Moreover, the possibilities of C2NIWA in a wide range of these tools running on a supercomputer are suggested. Firstly, the company development strategy can be planned . Secondly, quick and flexible changes of its processes can be modelled, analysed and implemented....
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CPLFD-GDPT5: High-resolution gridded daily precipitation and temperature data set for two largest Polish river basins
PublicationThe CHASE-PL (Climate change impact assessment for selected sectors in Poland) Forcing Data–Gridded Daily Precipitation & Temperature Dataset–5 km (CPLFD-GDPT5) consists of 1951–2013 daily minimum and maximum air temperatures and precipitation totals interpolated onto a 5 km grid based on daily meteorological observations from the Institute of Meteorology and Water Management (IMGW-PIB; Polish stations), Deutscher Wetterdienst...