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Wyniki wyszukiwania dla: MOLECULAR MODELLING
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WHAT DRIVES CROSS-COUNTRY DIFFERENCES IN EXPORT VARIETY? A BILATERAL PANEL APPROACH
PublikacjaA worldwide event like the 2020 Coronavirus outbreak can only reinforce the interest in modelling trade diversification as a key factor in countries’ vulnerability to external shocks. This paper adopts a detailed relative framework to study the determinants of product-level export variety in a large bilateral panel of developing and developed economies (16,770 country pairs in the period 1988–2014). We find that country pairs characterized...
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Simplified Distribution Grid Modelling for Connection Analyses
PublikacjaThis paper considers the modelling of medium and low voltage grids for the purpose of connection studies by distribution grid operators. Possible simplifications in grid modelling are discussed, which are acceptable from the viewpoint of the final result. The main driver of the modelling simplification is the MS Excel environment used as the computation platform, and the limitation of time for grid modelling.
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PHYSICAL MODELLING OF GEOTECHNICAL STRUCTURES IN PORTS AND OFFSHORE
PublikacjaThe physical modelling of subsoil behaviour and soil-structure interaction is essential for the proper design of offshore structures and port infrastructure. A brief introduction to such modelling of geoengineering problems is presented and some methods and experimental devices are described. The relationships between modelling scales are given. Some examples of penetration testing results in centrifuge and calibration chamber...
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Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning
PublikacjaTheophylline, a typical representative of active pharmaceutical ingredients, was selected to study the characteristics of experimental and theoretical solubility measured at 25 °C in a broad range of solvents, including neat, binary mixtures and ternary natural deep eutectics (NADES) prepared with choline chloride, polyols and water. There was a strong synergistic effect of organic solvents mixed with water, and among the experimentally...
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Kavita Joshi
OsobyPursuing Doctoral of Philosophy at Gdansk University of Technology. My research interests are 3D-QSAR,Homology Modelling,Molecular docking,Molecular dynamic simulation,Antifungal and anticancer agent.
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Modeling of the internal combustion engine cooling system
PublikacjaThe article concerns computer modelling of processes in cooling systems of internal combustion engines. Modelling objectives and existing commercial programs are presented. It also describes Author’s own method of binding graphs used to describe phenomena in the cooling system of a spark ignition engine. The own model has been verified by tests on the engine dynamometer. An example of using a commercial program for experimental...
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Modelling of power electronic compensators for the analysis of power system operation
PublikacjaThe article presents selected methods of modelling power electronic compensators in order to analyze their operation in the power systems. Advantages and disadvantages of models have been shown with an indication of their usefulness for modelling specific phenomena.
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Modelling of a medium-term dynamics in a shallow tidal sea, based on combined physical and neural network methods
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Systems, environments, and soliton rate equations: A non-Kolmogorovian framework for population dynamics
PublikacjaSoliton rate equations are based on non-Kolmogorovian models of probability and naturally include autocatalytic processes. The formalism is not widely known but has great unexplored potential for applications to systems interacting with environments. Beginning with links of contextuality to non- Kolmogorovity we introduce the general formalism of soliton rate equations and work out explicit examples of subsystems interacting with...
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Quantum structure in competing lizard communities
PublikacjaAlmost two decades of research on applications of the mathematical formalism of quantum theory as a modeling tool in domains different from the micro-world has given rise to many successful applications in situations related to human behavior and thought, more specifically in cognitive processes of decision-making and the ways concepts are combined into sentences. In this article, we extend this approach to animal behavior, showing...
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Early warning models against bankruptcy risk for Central European and Latin American enterprises
PublikacjaThis article is devoted to the issue of forecasting the bankruptcy risk of enterprises in Latin America and Central Europe. The author has used statistical and soft computing methods to program the prediction models. It compares the effectiveness of twelve different early warningmodels for forecasting the bankruptcy risk of companies. In the research conducted, the author used data on 185 companies listed on the Warsaw Stock Exchange...
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Export diversification and dependence on natural resources
PublikacjaLow export diversification is a risk-augmenting factor for many countries dependent on natural resources. The literature tends to focus on the growth effects of resource dependence (‘resource curse’ debate) while not much is known on how it affects the variety of non-resource exports. To quantify this effect we decompose the relative Theil index using product-level export data from 160 countries over the time period 1996–2018....
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Investor confidence and high financial literacy jointly shape investments in risky assets
PublikacjaHouseholds consistently invest less in equities and bonds than predicted by economic theory. We explain this from a behavioral economics perspective and distributional analysis using rich US survey microdata. We find that higher investor self-confidence in her financial abilities and financial literacy jointly increase the probability of investing in equities. Conditional on participation, confidence in the macroeconomy additionally...
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Derivation of the scaling laws used in geotechnical centrifuge modelling-application of dimensional analysis and Buckingham Π theorem
PublikacjaGeotechnical centrifuge modelling has been a world-wide used technology in physical tests. In this paper a derivation of scaling laws by dimensional analysis for the centrifugal modelling is presented. Basic principles of centrifuge modelling are described. Scaling laws for slow events like consolidation and fast events like dynamic loads are shown. The differences in scale factors for both processes are noticed. The aim of this...
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Mode choice modelling for urban areas
PublikacjaThe article presents the question of mode choice modelling in a four-stage travel modelling process. The article indicates limitations of currently used simplified methods of mode choice modelling and presents the possibility of using a more detailed approach that accounts for additional, statistically significant factors with the use of advanced mathematical tools, discrete choice models. A need has also been identified to include...
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Biological processes modelling for MBR systems: A review of the state-of-the-art focusing on SMP and EPS
PublikacjaA mathematical correlation between biomass kinetic and membrane fouling can improve the understanding and spread of Membrane Bioreactor (MBR) technology, especially in solving the membrane fouling issues. On this behalf, this paper, produced by the International Water Association (IWA) Task Group on Membrane modelling and control, reviews the current state-of-the-art regarding the modelling of kinetic processes of biomass, focusing on...
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Mechanics of Micro- and Nano-Size Materials and Structures
PublikacjaNanotechnology knowledge is always looking to expand its boundaries to achieve the mostsignificant benefit to human life and meet the growing needs of today. In this case, we can refer tomicro- and nanosensors in micro/nano-electromechanical systems (MEMS/NEMS). These electricaldevices can detect minimal physical stimuli up to one nanometer in size. Today, micro/nano-sensordevices are widely used in the...
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Effect of temperature and composition on physical properties of deep eutectic solvents based on 2-(methylamino)ethanol – measurement and prediction
PublikacjaNovel deep eutectic solvents were synthesized using 2-(methylamino)ethanol as hydrogen bond donor with tetrabutylammonium bromide or tetrabutylammonium chloride or tetraethylammonium chloride as hydrogen bond acceptors. Mixtures were prepared at different molar ratios of 1:6, 1:8 and 1:10 salt to alkanolamine and then Fourier Transform Infrared Spectroscopy measurements were performed to confirm hydrogen bonds interactions between...
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Mathematical modelling and computer simulation of activated sludge systems.Second edition
PublikacjaMathematical Modelling and Computer Simulation of Activated Sludge Systems – Second Edition, provides, from the process engineering perspective, a comprehensive and up-to-date overview regarding various aspects of the mechanistic (“white box”) modelling and simulation of advanced activated sludge systems performing biological nutrient removal. In the new edition of the book, a special focus is given to nitrogen removal and an overview...
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An annotated timeline of sensitivity analysis
PublikacjaThe last half a century has seen spectacular progresses in computing and modelling in a variety of fields, applications, and methodologies. Over the same period, a cross-disciplinary field known as sensitivity analysis has been making its first steps, evolving from the design of experiments for laboratory or field studies, also called ‘in-vivo’, to the so-called experiments ‘in-silico’. Some disciplines were quick to realize the...
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Port-Based Modelling of Distributed-Lumped Parameter Systems
PublikacjaThere 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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Modeling of Combined Phenomena Affecting an AUV Stealth Vehicle
PublikacjaIn the paper some results of research connected with modelling the basic stealth characteristics of an AUV vehicle are presented. First of all a general approach to design of the stealth AUV autonomous underwater vehicle under consideration is introduced. Then, the AUV stealth vehicle concept is briefly described. Next a method of modelling of the stealth characteristics is briefly described as well. As an example of the stealth...
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Application of spatial neural simulators of turbine blade rows to fluid flow diagnostics
PublikacjaThis chapter presents the results of neural modelling of fluid flow in steam turbine row. In modelling working conditions of the flow channel varied, thus the aim of the work was to reconstruct the reference state - distributions of velocity, pressure, and losses in flow channel - with high accuracy for fluid flow diagnostics.
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A comprehensive approach to SBR modelling for monitoring and control system design
PublikacjaThe aim of this research is to provide a comprehensive description of the Sequencing Batch Reactor (SBR) modelling for monitoring, control, and plant operational optimisation validation. The paper provides a detailed modelling of the SBR, its components and constituent processes. For this purpose, the mass balance principle and continuity equations were provided with a reactive term implemented using Activated Sludge Model (ASM)....
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The Influence of Selected Parameters of Numerical Modelling on Strains and Stresses at Weld Toe Notch
PublikacjaLatest development in the field of welding technology and prefabrication enabled massive production of thin-walled sandwich structures. Multi-layered sandwich structures are fabricated with the use of high-power CO2 lasers, friction welding, arc welding, hybrid welding, or other technique designed for the special purpose. Steel or aluminium alloy plates with thickness between 1 and 5 mm are connected by internal stiffeners. Strength...
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Thermal-FSI modeling of flow and heat transfer in a heat exchangerbased on minichanels
PublikacjaIn this paper selected numerical modelling problems for an advanced thermal-FSI ("Fluid Solid Interaction") mini-channel heat exchanger model are presented. Special attention is given to the heat transfer between the separated mediums for different mass flows. Similar modelling problems have also been discussed in the literature dedicated to numerical and theoretical modelling problems for typical heat exchangers [1, 2, 3]. Basic...
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Modelling a 6-dof manipulator using Matlab software
PublikacjaThis 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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Designing Control and Protection Systems with Regard to Integrated Functional Safety and Cybersecurity Aspects
PublikacjaThis article addresses current problems of risk analysis and probabilistic modelling for functional safety management in the life cycle of safety-related systems. Two main stages in the lifecycle of these systems are distinguished, namely the design and operation. The risk analysis and probabilistic modelling differ in these stages in view of available knowledge and data. Due to the complexity and uncertainty involved, both qualitative...
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Between Descriptive Geometry and CAD 3D
PublikacjaDescriptive geometry provides methods to analyse three-dimensional space through two-dimensional drawings and prepares to create technical documentation. Geometric form of an engineering project is presented by the means of projection methods based on a 3D model, which is present in designer’s imagination. The forthcoming era of Building Information Modelling (BIM) brings changes in the way the engineer works, as the vision is...
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Mainstream shortcut N removal modeling current status and perspectives
PublikacjaThis work gives an overview of the state-of-the-art in modelling of short-cut processes for nitrogen removal in mainstream wastewater treatment and presents future perspectives for directing research efforts in line with the needs of practice. The modelling status for deammonification (i.e., anammox-based) and nitrite-shunt processes is presented with its challenges and limitations. The importance of mathematical models for considering...
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Quasi-discrete modelling of PMSM phase currents in drives with low switching-to-fundamental frequency ratio
PublikacjaThis study proposes a new quasi-discrete approach to modelling the permanent magnet synchronous motor (PMSM). The quasi-discrete modelling reflects the impact of continuous rotor movement, which takes place during a control cycle, on the shape of motor current waveforms. This provides much improvement in current modelling accuracy under inverter low switching-to-fundamental frequency operation. The proposed approach may be used...
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A Review of Hyperelastic Constitutive Models for Dielectric Elastomers
PublikacjaDielectric elastomers are smart materials that are essential components in soft systems and structures. The core element of a dielectric elastomer is soft matter, which is mainly rubber-like and elastomeric. These soft materials show a nonlinear behaviour and have a nonlinear strain-stress curve. The best candidates for modelling the nonlinear behaviour of such materials are hyperelastic strain energy functions. Hyperelastic functions...
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Low cost real time UAV stereo photogrammetry modelling technique – accuracy considerations
PublikacjaThe paper presents accuracy considerations regarding three 3D modelling techniques. The tested new consumer type stereo camera (ZED 3D Stereolabs) has been implemented info an aerial mapping system, on board micro air vehicle MAV) and tested object has been mapped using a real-time photogrammetry with original real-time software application. The evaluated results has been compared with model gained with a state of art unmanned...
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Selected problems of decision making modelling in power engineering
PublikacjaThe paper presents the selected problems of decision making modelling in power engineering specially investment risk evaluation methods. The proposed model can be used in the range programming the development and investing process in power engineering. Decision making problems in power engineering and the evaluation of investment effectiveness in particular are closely related to modelling which relatively accurately reflects...
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Reduced order model of 2d system
PublikacjaA new method of modelling is developed for static and dynamic analysis of two-dimensional elastic bodies. In the analysis, an elastic body is divided into strips. For each one-dimensional strip the reduced modal model is build up. The modal model contains appropriate number of inputs and outputs to connect lumped interaction that occur between strips. Proposed method of modelling enables to obtain more accurate and more simple...
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FEM-based wave propagation modelling for SHM: Certain numerical issues in 1D structures
PublikacjaThe numerical modelling of structural elements is an important aspect of modern diagnostic systems. However, the process of numerical implementation requires advanced levels of consideration of multiple aspects. Important issues of that process are the positive and negative aspects of solution applied methods. Therefore the aim of this article is to familiarise the reader with the most important aspects related to the process of...
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The impact of the shape of deep drilled well screen openings on the filtration process in full saturation conditions
PublikacjaThe authors propose a supplementary method of modelling seepage flow around the deep drilled well screen. The study applies 3D numerical modelling (FEM) in order to provide an in-depth analysis of the seepage process. The analysis of filtration parameters (flow distribution q(x,t) and pressure distribution p) was conducted using the ZSoil.PC software system. The analysis indicates that the shape of perforation is of secondary importance...
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Voiceless Stop Consonant Modelling and Synthesis Framework Based on MISO Dynamic System
PublikacjaA voiceless stop consonant phoneme modelling and synthesis framework based on a phoneme modelling in low-frequency range and high-frequency range separately is proposed. The phoneme signal is decomposed into the sums of simpler basic components and described as the output of a linear multiple-input and single-output (MISO) system. The impulse response of each channel is a third order quasi-polynomial. Using this framework, the...
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Simulation of the switched reluctance drive system
PublikacjaSwitched reluctance motors (SRM), unlike other types of motors, for their application require a control system and the supply from a power electronic converter. A method of modelling and mathematical model of an SRM in a switched reluctance drive (SRD) system is presented in the paper. Modelling is based on Lagrange's energy method. Coefficients of the Lagrange's equation have been calculated using the finite element method (FEM)....
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An enhanced method in predicting tensile behaviour of corroded thick steel plate specimens by using random field approach
PublikacjaThe present work investigates the possibility of using random field techniques in modelling the mechanical behaviour of corroded thick steel plate specimens. The nonlinear Finite Element method, employing the explicit dynamic solver, is used to analyse the mechanical properties of typical specimens. A material model considering full nonlinearity is used to evaluate the stress-strain response. The influence of major governing parameters...
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Numerical modelling of 3D printout using line (1D) elements
PublikacjaA proposition of some numerical modelling of the 3D printout is presented in the paper. The proposed model is composed of some 1D elements. The resulting numerical model of the infill consist of beam, spring and rigid elements. Obtained results confirm correctness of the proposed modelling method. Two methods of estimation of the spring parameters are proposed in the paper. In the first method, mechanical properties of the connecting...
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Research into the Movements of Surface Water Masses in the Basins Adjacent to the Port
PublikacjaThis paper presents the results of the practical and simulation research into determining the routes of movement of small objects moving together with surface water masses in basins adjacent to the port. The results of this research were referenced against the modelling of routes of small objects in port channel basins. The results of practical research concerning the movement of small objects in basins adjacent to the port were...
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Polynomial Chaos Expansion in Bio-and Structural Mechanics
PublikacjaThis monograph presents a probabilistic approach to modelling the mechanics of materials and structures where the modelled performance is influenced by uncertainty in the input parameters. The work is interdisciplinary and the methods described are applied to medical and civil engineering problems. The motivation for this work was the necessity of mechanics-based approaches in the modelling and simulation of implants used in the...
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Polynomial Chaos Expansion in Bio- and Structural Mechanics
PublikacjaThis thesis presents a probabilistic approach to modelling the mechanics of materials and structures where the modelled performance is influenced by uncertainty in the input parameters. The work is interdisciplinary and the methods described are applied to medical and civil engineering problems. The motivation for this work was the necessity of mechanics-based approaches in the modelling and simulation of implants used in the repair...
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Interaction Between Storm Water Conduit And Surface Flow For Urban Flood Inundation Modelling
PublikacjaRapid development of urban areas always comes with great side effects. One of them is the occurrence of urban floods. Growth of impervious surfaces in cities leads to increasing run-off values. This together with difficulties connected with sewage modernization in cities marks urban inundations as being one of the most important issues concerning urban water. Accurate prediction of a phenomenon is difficult as it is highly dependent...
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Novel Fault Identification for Electromechanical Systems via Spectral Technique and Electrical Data Processing
PublikacjaIt is proposed, developed, investigated, and validated by experiments and modelling for the first time in worldwide terms new data processing technologies, higher order spectral multiple correlation technologies for fault identification for electromechanical systems via electrical data processing. Investigation of the higher order spectral triple correlation technology via modelling has shown that the proposed data processing technology...
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Advances in Modelling and Analysis of Strength of Corroded Ship Structures
PublikacjaThe 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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On Applications of Fractional Derivatives in Circuit Theory
PublikacjaIn this paper, concepts of fractional-order (FO) derivatives are discussed from the point of view of applications in the circuit theory. The properties of FO derivatives required for the circuit-level modelling are formulated. Potential problems related to the generalization of transmission line equations with the use of FO derivatives are presented. It is demonstrated that some of formulations of the FO derivatives have limited...
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On the influence of the acceleration recording time on the calculation of impact severity indexes
PublikacjaThe paper concerns with the analysis of normative requirements pertaining to experimental setup of a crash test and its numerical modelling. An overview of parameters describing the collision of a vehicle with a road restraining system is presented. A short description of a concrete road safety barrier is presented. A brief description of numerical modelling procedures for crash tests is given as well. The parametric influence...
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Development of models for nitrogen-removal processes in subsurface flow constructed wetlands
PublikacjaThis paper summarizes recent progress in modelling approach of subsurface flow constructed wetlands (SSF CWs), focusing on nitrogen removal processes.