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Search results for: dynamika lodu
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Molecular dynamics simulation of human neurohypophyseal hormone receptors complexed with oxytocin—modeling of an activated state
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Orientational Order and Dynamics of Nematic Multipodes Based on Carbosilazane Cores Using Optical and Dielectric Spectroscopy
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Band structure, Born effective charges, and lattice dynamics of CuInS2 from ab initio calculations
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Editorial: smart modeling support for managing complexities and dynamics of knowledge-based systems-part 1
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Combining Computational Fluid Dynamics with a Biokinetic Model for Predicting Ammonia and Phosphate Behavior in Aeration Tanks
PublicationThe aim of this study was to use computational fluid dynamics for predicting the behavior of reactive pollutants (ammonia and phosphate) in the aerobic zone of the bioreactor located at the Wschod wastewater treatment plant in Gdansk, Poland. The one-dimensional advection-dispersion equation was combined with simple biokinetic models incorporating the Monod-type expressions as source terms for the two pollutants. The problem was...
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublicationIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Firing map for periodically and almost-periodically driven integrate-and-fire models: a dynamical systems approach
PublicationWe consider the Leaky Integrate-and-Fire and Perfect Integrator models of neuron’s dynamics with the input function being periodic and almost-periodic (in the sense of Stepanov). In particular we analyze properties and dynamics of the so-called firing map, which iterations give timings of consecutive spikes of a neuron. In case of a periodic input function we provide a detailed description of the sequence of interspike-intervals,...
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The importance of the shape of the protein-water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationSingle kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in solvation shell change along with the nature of neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water is not very different from bulk water. The local values of...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublicationThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Formation of Protein Networks between Mucins: Molecular Dynamics Study Based on the Interaction Energy of the System
PublicationMolecular dynamics simulations have been performed for a model aqueous solution of mucin. As mucin is a central part of lubricin, a key component of synovial fluid, we investigate its ability to form cross-linked networks. Such network formation could be of major importance for the viscoelastic properties of the soft-matter system and crucial for understanding the lubrication mechanism in articular cartilage. Thus,the inter- and...
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Silica In Silico: A Molecular Dynamics Characterization of the Early Stages of Protein Embedding for Atom Probe Tomography
PublicationA novel procedure for the application of atom probe tomography (APT) to the structural analysis of biological systems, has been recently proposed, whereby the specimen is embedded by a silica matrix and ablated by a pulsed laser source. Such a technique, requires that the silica primer be properly inert and bio-compatible, keeping the native structural features of the system at hand, while condensing into an amorphous, glass-like...
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Mechanical Properties of Twisted Carbon Nanotube Bundles with Carbon Linkers from Molecular Dynamics Simulations
PublicationThe manufacturing of high-modulus, high-strength fibers is of paramount importance for real-world, high-end applications. In this respect, carbon nanotubes represent the ideal candidates for realizing such fibers. However, their remarkable mechanical performance is difficult to bring up to the macroscale, due to the low load transfer within the fiber. A strategy to increase such load transfer is the introduction of chemical linkers...
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Profilaktyka przeciwpowodziowa w okresie zimowym na zbiorniku Włocławek
PublicationWisła należy do rzek o podwyższonym ryzyku wystąpienia powodzi zatorowych, a problem zlodzenia na rzece Wiśle jest zjawiskiem dobrze udokumentowanym. Przyczyną powstawania zatorów na granicy rzeki i cofki zbiornika jest zmiana warunków przepływu wód, powodująca wcześniejsze zamarzanie zbiornika wraz z późniejszym rozpadem pokrywy lodowej. Najskuteczniejszą metodą kontrolowanej ingerencji w fazę rozpadu pokrywy lodowej jest lodołamanie....
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STUDY OF ARRAY OF MEMS INERTIAL MEASUREMENT UNITS UNDER QUASI-STATIONARY AND DYNAMIC CONDITIONS
PublicationA measurement system includes all components in a chain of hardware and software that leads from a measured variable to processed data. In that context, the type and quality of the sensors or measuring devices are critical to any measurement system. MEMS/IMU sensors lag behind leading technologies in this respect, but the MEMS/IMU performance rapidly changes while is relatively inexpensive. For this reason, the paper proposes...
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Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE
PublicationThis paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation framework to be used in many new fields such as quantum mechanics. The implementation details and associated gains in the accuracy of the results are discussed. Besides the "standard" double (64 bits)...
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Corrosion resistance evaluation of Al‐based alloys by means of dynamic electrochemical impedance spectroscopy
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Evaluation of corrosion inhibition of brass-118 in artificial seawater by benzotriazole using Dynamic EIS
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Merton-type default risk and financial performance: the dynamic panel moderation of firm size
PublicationPurpose – The main purpose of this study is to evaluate the probability of default and examine the relationship between default risk and financial performance, with dynamic panel moderation of firm size. Design/methodology/approach – This study utilizes a total of 1,500 firm-year observations from 2013 to 2018 using dynamic panel data approach of generalized method of moments to test the relationship between default risk and financial...
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Path planning algorithm for ship collisions avoidance in environment with changing strategy of dynamic obstacles
PublicationIn this paper a path planning algorithm for the ship collision avoidance is presented. Tested algorithm is used to determine close to optimal ship paths taking into account changing strategy of dynamic obstacles. For this purpose a path planning problem is defined. A specific structure of the individual path and fitness function is presented. Principle of operation of evolutionary algorithm and based on it dedicated application...
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Simplified approach to assess the dynamic response of a container ship subjected to bow slamming load
PublicationSimplified approach to assess the dynamic response of a container ship subjected to the bow slamming load, resulting in a transient vibratory response, typically called a 'whip-ping', is presented. The accurate numerical modelling is very complex and involves cou-pling of the hydrodynamic and structural solution at every time step, leading to huge com-putational and workload cost. Thus, the one-way coupling methodology is adopted,...
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Ship weather routing optimization with dynamic constraints based on reliable synchronous roll prediction
PublicationShip routing process taking into account weather conditions is a constrained multi-objective optimization problem and it should consider various optimization criteria and constraints. Formulation of a stability-related, dynamic route optimization constraint is presented in this paper. One of the key objectives of a cross ocean sailing is finding a compromise between ship safety and economics of operation. This compromise should...
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Dynamic fracture of brittle shells in a space-time adaptive isogeometric phase field framework
PublicationPhase field models for fracture prediction gained popularity as the formulation does not require the specification of ad-hoc criteria and no discontinuities are inserted in the body. This work focuses on dynamic crack evolution of brittle shell structures considering large deformations. The energy contributions from in-plane and out-of-plane deformations are separately split into tensile and compressive components and the resulting...
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The dynamic of processes responsible for transformation of nitrogen compounds in hybrid wetlands systems in a temperate climate.
PublicationAnalizowano ilościowe i jakościowe przemiany związków azotu po poszczególnych stopniach oczyszczania w hybrydowych systemach hydrofitowych w Wiklinie i Sarbsku.
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Dynamic Re-Clustering Leach-Based (Dr-Leach) Protocol for Wireless Sensor Networks
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Parametric versus nonparametric modelling of dynamic susceptibility contrast enhanced MRI based data
PublicationDynamic tracking of a bolus of a paramagnetic agent (dynamic susceptibility contract - DSC) in MRI (magnetic resonance imaging) measurements is successfully used for assessment of the tissue perfusion and the other features and functions of the brain (i.e. cerebral blood flow - CBF, cerebral blood volume - CBV, mean transit time - MTT). The parametric and nonparametric approaches to the identification of MRI models are presented...
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NUMERICAL SIMULATION OF CRATER CREATING PROCESS IN DYNAMIC REPLACEMENT METHOD BY SMOOTH PARTICLE HYDRODYNAMICS
PublicationA theoretical base of SPH method, including the governing equations, discussion of importance of the smoothing function length, contact formulation, boundary treatment and finally utilization in hydrocode simulations are presented. An application of SPH to a real case of large penetrations (crater creating) into the soil caused by falling mass in Dynamic Replacement Method is discussed. An influence of particles spacing on method...
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Unusual dynamic properties of water near the ice-binding plane of hyperactive antifreeze protein
PublicationThe dynamical properties of solvation water of hyperactive antifreeze protein from Choristoneura fumiferana (CfAFP) are analyzed and discussed in context of its antifreeze activity. The protein comprises of three well-defined planes and one of them binds to the surface of ice. The dynamical properties of solvation water around each of these planes were analyzed separately; the results are compared with the dynamical properties...
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Robust Parameter Estimation and Output Prediction for Reactive Carrier-Load Nonlinear Dynamic Networks
PublicationIn this paper an extension of on-line model simplification technique for a class of networked systems, namely reactive carrier-load nonlinear dynamic networked system (RCLNDNS), kept within point-parametric model (PPM) framework is addressed. The PPM is utilised to acquire a piece wise constant time-varying parameter linear structure for the RCLNDNS suitable for the on-line one step ahead prediction that may be applied to monitoring...
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Creating dynamic maps of noise threat using pl-grid infrastructure; materiały konferencyjne
PublicationThis paper presents functionality and operation results of the system for creating dynamic maps of noise thread with the use of the PL-Grid infrastructure integrated with distributed sensors network for measuring, modeling and rendering noise level distribution. The work presented provides a demonstration of the services being prepared within the PLGrid Plus project. Specific computational environments, so called domain grids,...
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DYNAMIC MECHANICAL BEHAVIOUR OF GFRP COMPOSITES WITH SiO2 NANO PARTICLES REINFORCED EPOXY MATRIX
PublicationDynamic mechanic (DMA) tests were performed to compare the mechanical behaviour of glass fibre reinforced epoxy laminate composites with SiO2 nanoparticle reinforced matrix. The selection of the most promising nanoparticle concentrations was considered in terms of elastic modulus and glass transition temperature. The reference specimens (0% nanoparticles) did not contain diluent accordingly the results do not allow the exact comparison...
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Dynamic mass measurement in checkweighers using a discrete time-variant low-pass filter
PublicationConveyor belt type checkweighers are complex mechanical systems consisting of a weighing sensor (strain gauge load cell, electrodynamically compensated load cell), packages (of different shapes, made of different materials) and a transport system (motors, gears, rollers). Disturbances generated by the vibrating parts of such a system are reflected in the signal power spectra in a form of strong spectral peaks, located usually in...
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DYNAMIC ANALYSIS OF HISTORIC RAILWAY BRIDGES IN POLAND IN THE CONTEXT OF ADJUSTING THEM TO PENDOLINO TRAINS
PublicationThe article presents the dynamic analysis of the historic railway bridge in Tczew as an example of the usefulness of such type of bridge for high-speed trains. The model of the bridge and the simulation of rolling stock passage was performed in SOFISTIK program. The scope of work includes experimental studies, the solution of the problem concerning the correct solution features dynamic model takes into account the dependencies...
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Modeling of wood frame structures with different insulation materials under damaging dynamic loading
PublicationWood frame buildings are very popular in regions that are exposed to different dynamic excitations, such as damaging earthquakes. Their seismic resistance is really important in order to prevent structural damages and human losses. This paper presents the results of advanced numerical investigation carried out using the FEM. Based on the models of wall panels, the numerical model of real structure of the wood frame building has...
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Dynamic analysis of temporary steel grandstand subjected to human-induced excitations due to jumping
PublicationSteel grandstands are structures that are frequently used during sport games and many other non-sporting events, such as festivals, music concerts, or even politicians rallies, with participation of a large number of attendees. Unfortunately, the presence of unexpected excessive dynamic loads due to unpredictable behaviour of spectators (e.g. synchronized harmonic jumping or swaying) may lead to...
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Application of quartz crystal microbalance and dynamic impedance spectroscopy to the study of copper corrosion inhibitors
PublicationThe study investigates the application of Dynamic Electrochemical Impedance Spectroscopy (DEIS) and Electrochemical Quartz Crystal Microbalance (EQCM) techniques to examine the corrosion inhibition of copper by Benzotriazole and Sodium Folate in a 0.1 M NaCl solution. DEIS, an advanced version of Electrochemical Impedance Spectroscopy (EIS), allows for real-time monitoring of non-stationary electrochemical systems,...
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Approximation of Fractional Order Dynamic Systems Using Elman, GRU and LSTM Neural Networks
PublicationIn the paper, authors explore the possibility of using the recurrent neural networks (RNN) - Elman, GRU and LSTM - for an approximation of the solution of the fractional-orders differential equations. The RNN network parameters are estimated via optimisation with the second order L-BFGS algorithm. It is done based on data from four systems: simple first and second fractional order LTI systems, a system of fractional-order point...
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Identification analysis of dynamic changes in the composition of biogas and their impact on the operation of internal combustion engines
PublicationW pracy zamieszczono wyniki badań składu biogazu pozyskiwanego na komunalnym wysypisku śmieci. Pozyskiwany biogaz jest wykorzystywany do zasilania biogazowych zespołów prądotwórczych wyposażonych w silniki o zapłonie iskrowym dostosowanych do zasilania tym paliwem. Pozyskiwany biogaz powstaje w sposób naturalny w procesie beztlenowej fermentacji zachodzącej przez ok. 20 lat, w organicznej części pryzmy odpadów składowanych na wysypisku...
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The dynamic performance analysis of the Micro-turbine's rotor supparted on slide and roling element bearings
PublicationThis article presents the results of investigations of dynamic characteristics of a small-dimension rotor with slide and rolling element bearings. The object of investigations was the rotor-bearing system designed for the ORC based low-power steam micro-turbine. The investigations were performed using MESWIR series programs, as well as commercial FEA software ABAQUS and MADYN 2000. The results of modal analysis of the micro-rotor...
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Burn depths evaluation based on active dynamic IR thermal imaging - A preliminary study
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Cable stayed bridge over Vistula river in Plock. Dynamic analysis and site test
PublicationBudowę mostu przez rzekę Wisłę w Płocku ukończono w 2006 roku. Główne przęsło o długości 375 m zaprojektowano jako stalową konstrukcję podwieszoną. W celu weryfikacji konstrukcji zbudowano przestrzenny model MES. Badano zachowanie się konstrukcji mostu pod wpływem statycznego i dynamicznego obciążenia. W dalszym etapie przeprowadzono badania in - situ weryfikujące analizy numeryczne oraz założenia projektowe. Na bazie modelu MES...
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Integrated geodetic and hydrographic measurements of the yacht port for nautical charts and dynamic spatial presentation
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Comparative analysis of positioning accuracy of Garmin Forerunner wearable GNSS receivers in dynamic testing
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Digital processing of pulse signal from light-to-frequency converter under dynamic condition
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Multicoil dynamic wireless power transfer topology with shared primary side compensation system
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Oiled soil washing in dynamic conditions by micellar surfactants solutions and obtained effluents treatment
PublicationZbadano możliwość zastosowania micelarnych roztworów biosurfaktantu (JBR 425), surfaktantów syntetycznych (Rokanolu NL5, NL6, NL8) i ich mieszanin (Rokanol NL6 : JBR 425) do wymywania oleju syntetycznego z gruntu w procesie mycia gleby w warunkach dynamicznych. Micelarne roztwory Rokanolu NL6 oraz NL8 wykazały nieznacznie wyższą efektywność wymywania oleju z gruntu w porównaniu z efektywnością usuwania oleju przy pomocy roztworów...
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Earthquake-induced pounding between equal height buildings with substantially different dynamic properties
PublicationZderzenia pomiędzy konstrukcjami budowlanymi podczas trzęsień ziemi mogą prowadzić do znacznych uszkodzeń czy nawet całkowitego zniszczenia. Celem niniejszego artykuły jest analiza zderzeń pomiędzy budynkami o jednakowej wysokości i różnych parametrach dynamicznych. W artykule przedstawiono wyniki badań numerycznych przeprowadzonych na nieliniowych modelach dyskretnych o skupionych masach z wykorzystaniem nieliniowego modelu lepkosprężystego...
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Investigation effect of benzotriazole on the corrosion of brass-MM55 alloy in artificial seawater by dynamic EIS
PublicationW pracy przedstawiono wyniki badań impedancyjnych otrzymanych podczas ekspozycji stopu MM55 w środowisku sztucznej wody morskiej. Wykazano ścisłą korelację charakterystyk impedancyjnych ze stężeniem benzotriazolu. Przedstawiono czasową ewolucję ochronnego efektu inhibicyjnego.
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Corrosion resistance evaluation of Al-based alloys by means of dynamic electrochemical impedance spectroscopy
PublicationW pracy przedstawiono wyniki badań stopów aluminium wykonane za pomocą dynamicznej elektrochemicznej spektroskopii. Na podstawie uzyskanych widm impedancyjnych zostały pokazane zmiany parametrów elektrycznego schematu zastępczego z potencjałem. Stwierdzono, że dodatek magnezu do badanego stopu obniża właściwości przeciwkorozyjne stopu.
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Microstructural evolution of 6061 aluminium alloy subjected to static and dynamic compression at low temperature
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Evaluation of corrosion inhibition of brass -118 in artificial seawater by benzotriazole using dynamic EIS
PublicationPrzedstawiono wyniki korozji mosiądzu 118 w sztucznej wodzie morskiej oraz efekt inhibicyjny benzotriazolu (BTA) przy użyciu nowoczesnej dynamicznej elektrochemicznej spektroskopii impedancyjnej (DEIS). metoda ta pozwala śledzić dynamikę procesu korozyjnego i efektu inhibicyjnego poprzez ocenę parametrów elektrycznych obwodu zastępczego. Chwilowe widma impedancyjne rejestrowane przez 10h wykazują iż ekspozycja przez okres kilku...