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Search results for: KEYSTROKE DYNAMICS
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Timber frame houses resistant to dynamic loads - seismic analysis
PublicationThe aim of the article is to present results of seismic analysis results of two real-sized timber frame buildings subjected to seismic excitations. The first model was insulated with mineral wool, the second one with polyurethane foam. Technology and specifications involved in both models construction is based on the previously conducted experimental research on timber frame houses, including wall panels tests, wall numerical models...
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Dynamic analysis of the railway bridge span under moving loads
PublicationThe first part of this paper provides a review of the state of knowledge of the dynamic behaviour of railway bridges under moving loads. Particular attention is paid to developments in modelling railway bridge loading and dynamic vehicle-span (structure) interaction. The most important aspects determining the advancements in this area of knowledge are identified. The contemporary techniques for defining bridge span finite element...
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A Ubiquitous System Using Semantic Knowledge in Dynamic Service Integration
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Behavior Analysis and Dynamic Crowd Management in Video Surveillance System
PublicationA concept and practical implementation of a crowd management system which acquires input data by the set of monitoring cameras is presented. Two leading threads are considered. First concerns the crowd behavior analysis. Second thread focuses on detection of a hold-ups in the doorway. The optical flow combined with soft computing methods (neural network) is employed to evaluate the type of crowd behavior, and fuzzy logic aids detection...
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Dynamic tests of composite footbridge segment – experimental and numerical studies
PublicationExperimental dynamic tests and numerical simulations of a 3 meters long segment of a footbridge made of polymer composites are presented in the paper. The span-length is reduced, however dimensions of cross-section are the same as the target footbridge. The segment structure is made of sandwich panels, which consist of fibre reinforced polymer (GFRP) laminates (skins) and a PET foam (core). The first part of the paper contains...
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The dynamic signature verification using population-based vertical partitioning
PublicationThe dynamic signature is an attribute used in behavioral biometrics for verifying the identity of an individual. This attribute, apart from the shape of the signature, also contains information about the dynamics of the signing process described by the signals which tend to change over time. It is possible to process those signals in order to obtain descriptors of the signature characteristic of an individual user. One of the methods...
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Local electrochemical impedance spectroscopy in dynamic mode of galvanic coupling
PublicationA novel method that combines local electrochemical impedance spectroscopy and mapping in dynamicmode is proposed. Method was validated over two galvanic couplings, namely zinc/copper and cad-mium/copper. Impedance spectrum response for all measuring points was obtained by means ofsimultaneous implementation of selected range of frequencies. Proposed method allows the measure-ment in a more time-efficient manner, at the same time...
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On–line Parameter and Delay Estimation of Continuous–Time Dynamic Systems
PublicationThe problem of on-line identification of non-stationary delay systems is considered. The dynamics of supervised industrial processes are usually modeled by ordinary differential equations. Discrete-time mechanizations of continuous-time process models are implemented with the use of dedicated finite-horizon integrating filters. Least-squares and instrumental variable procedures mechanized in recursive forms are applied for simultaneous...
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Export diversification and economic development: a dynamic spatial data analysis
PublicationThis paper contributes to the empirical literature on the relationship between ‘export variety’ (export diversification) and economic development by relaxing the assumption of cross-country independence and allowing for spatial diffusion of shocks in observed and unobserved factors. Export variety is measured for a balanced panel of 114 countries (1992-2012) using very detailed information on their exports (HS 6-digit product...
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Composite sandwich footbridge - measured dynamic response vs. FEA
PublicationThe paper describes a process of in situ dynamic tests of a composite sandwich footbridge before its accepta-tion for exploitation in real traffic conditions. It is only a part of a big research task that includes design, manufacture and introduce practical application of the bridge. The in situ measured natural modes and fre-quencies are compared with numerically determined ones. Finite element analysis is established to estimate...
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Analysis of data fusion algorithms for the vessel with the dynamic positioning system
PublicationThe dynamic positioning (DP) system on the vessel is operated to control the position and heading of the vessel with the use of propellers and thrusters installed on the board. On DP vessels redundant measurement systems of position, heading and the magnitude and direction of environmental forces are required for safety at sea. In this case, a fusion of data is needed from individual measurement devices. The article proposes a...
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On time-dependent nonlinear dynamic response of micro-elastic solids
PublicationA new approach to the mechanical response of micro-mechanic problems is presented using the modified couple stress theory. This model captured micro-turns due to micro-particles' rotations which could be essential for microstructural materials and/or at small scales. In a micro media based on the small rotations, sub-particles can also turn except the whole domain rotation. However, this framework is competent for a static medium....
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Experimental study and numerical simulation of the dynamic penetration into dry clay
PublicationTests of dry clay were carried out in a uniaxial stress state using the experimental setup which implements the split Hopkinson pressure bar method. Based on the results of these experiments, the compressive strength of clay was determined as an important element of S.S. Grigoryan’s model of the soil medium. In addition, the parameters of this model are determined from the results of experiments using the modified Kolsky method...
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DYNAMIC POSITIONING CAPABILITY ASSESSMENT BASED ON OPTIMAL THRUST ALLOCATION
PublicationThe article presents an efficient method of optimal thrust allocation over the actuators in a dynamically positioned ship, according to the DNV-ST-0111 standard, Level 1. The optimisation task is approximated to a convex problem with linear constraints and mathematically formulated as quadratic programming. The case study is being used to illustrate the use of the proposed approach in assessing the DP capability of a rescue ship....
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Dynamic electrochemical impedance spectroscopy of the first order electrode reaction
PublicationCiągłe transformaty STFT sinusoidalnego sygnału pobudzenia i odpowiedzi prądowej zostały wyznaczone dla reakcji elektrodowej pierwszego rzędu. Wyznaczono impedancję elektrody w łącznej dziedzinie czasu i częstotliwości. Wykonano pomiary dla reakcji redukcji Cd(II) na rtęciowej elektrodzie kroplowej w funkcji potencjału. Przedstawiono możliwość wyznaczenia chwilowych widm impedancyjnych. Opisano zależność rezystancji przeniesienia...
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Dynamic systems with liquid membrane and cationic surfactant (benzyldimethyltetradecylammonium Chlioride)
PublicationZbadano oscylacje różnicy potencjałów elektrochemicznych między fazami wodnymi oscylatora zawierającego kationowy surfaktant i chlorek sodu jako substancja odpowiedzialna za smak słony w zależności od rodzaju materiału membrany ciekłej. Na podstawie transformacji Gabora wykazano, że badane układy mają elementy chaosu deterministycznego.
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Ionic transport in silica xerogels investigated by dynamic current voltagecharacteristics.
PublicationPodano wstępne rezultaty badania transportu ujemnych jonów w kserożelach Si02 w warunkach wysokiego gradientu temperatury w próbce, wywołanego jej ekstremalnie niską przewodnością cieplną. Uzyskane charakterystyki pozostają w zgodzie z przewidywaniami teoretycznymi. Na ich podstawie określono znak jonów, ich ruchliwość i energię aktywacji.
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The dynamic analysisi of cracked Thimoshenko beam by the spectral element method.
PublicationW pracy przedstawiono model belli Timoshenko z pęknięciem poprzecznym oparty o metodę elementów spektralnych. Przedstawiono wyniki propagacji fali sprężystej i jej interakcję z pęknięciem.
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Computational modelling of concrete behavior under static and dynamic conditions
PublicationW artykule zaproponowano wyniki obliczeń MES dla betonu podczas dynamicznego obciążenia. Przyjęto model sprężysto-plastyczno-lepki z nielokalnym osłabieniem. Obliczenia MES dla elementów betonowych pod obciążeniem dynamicznym o różnej prędkości obciążenia porównano bezpośrednio z doświadczeniami.
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Aerodynamic shape optimization by variable-fidelity computational fluid dynamics models: a review of recent progress
PublicationA brief review of some recent variable-fidelity aerodynamic shape optimization methods is presented.We discuss three techniques that—by exploiting information embedded in low-fidelity computationalfluid dynamics (CFD) models—are able to yield a satisfactory design at a low computational cost, usu-ally corresponding to a few evaluations of the original, high-fidelity CFD model to be optimized. Thespecific techniques considered here...
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Early stages of condensation from the gaseous phase in a H2O-N2 system: a molecular dynamics study.
PublicationW pracy przedstawiono wyniki symulacji wczesnych etapów kondensacji z fazy gazowej w układzie xH2O (1-x)N2. Przeanalizowano całkowitą liczbę klastrów, średni rozmiar klastra i rozmiar klastra maksymalnego w funkcji czasu.
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Molecular dynamics simulation and MM-PBSA analysis of Oxytricha nova TEBP ternary complex with ssDNA
PublicationPraca dotyczy badań metodami chemii obliczeniowej właściwości elektrostatycznych i termodynamicznych kompleksu telomerowego białka TEBP pochodzącego z organizmu Oxytricha z jednoniciowym telomerowym DNA (ssDNA).
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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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Editorial: smart modeling support for managing complexities and dynamics of knowledge-based systems-part 1
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Adsorption dynamics of chlorinated hydrocarbons from multi-component aqueous solution onto activated carbon
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UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics
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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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Band structure, Born effective charges, and lattice dynamics of CuInS2 from ab initio calculations
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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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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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The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the 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 are not very different from bulk water. The local...
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Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case
PublicationExascale computing has been a dream for ages and is close to becoming a reality that will impact how molecular simulations are being performed, as well as the quantity and quality of the information derived for them. We review how the biomolecular simulations field is anticipating these new architectures, making emphasis on recent work from groups in the BioExcel Center of Excellence for High Performance Computing. We exemplified...
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Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
PublicationHydrated zinc(II) cations, due to their importance in biological systems, are the subject of ongoing research concerning their hydration shell structure and dynamics. Here, ab initio molecular dynamics (AIMD) simulations are used to study solvent exchange events around aqueous Zn2+, for which observation in detail is possible owing to the considerable length of the generated trajectory. While the hexacoordinated Zn(H2O)62+ is the...
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Encapsulation of an anticancer drug Isatin inside a host nano-vehicle SWCNT: a molecular dynamics simulation
PublicationThe use of carbon nanotubes as anticancer drug delivery cargo systems is a promising modality as they are able to perforate cellular membranes and transport the carried therapeutic molecules into the cellular components. Our work describes the encapsulation process of a common anticancer drug, Isatin (1H-indole-2,3-dione) as a guest molecule, in a capped single-walled carbon nanotube (SWCNT) host with chirality of (10,10). The...
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Computational Fluid Dynamics Simulation of Gas–Liquid Multiphase Flow in T-junction for CO2 Separation
PublicationThe article presents the results of a computational fluid dynamics (CFD) analysis of gas-liquid multiphase flow. The simulation was conducted using CFD code and the Euler–Euler approach. The presented study relates to the non–reactive, steady-state, turbulent flow of water and carbon dioxide mixture in a 3D pipe. Separation phenomenon between phases is observed. The solution was obtained using a mixture model. Different values...
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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublicationSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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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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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublicationIn this paper we report the improvements and extensions of the UNRES server (https://unres-server.chem.ug.edu.pl) for physics-based simulations with the coarse-grained UNRES model of polypeptide chains. The improvements include the replacement of the old code with the recently optimized one and adding the recent scale-consistent variant of the UNRES force field, which performs better in the modeling of proteins with the β and the...
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Free volume in physical absorption of carbon dioxide in ionic liquids: Molecular dynamics supported modeling
PublicationUnderstanding the mechanisms underlying the carbon dioxide (CO2) absorption in ionic liquids (ILs) is the key to their efficient utilization in industrial flue gas treatment. One of the parameters considered substantially important in the process is the Free Volume. In this study, the Fractional Free Volume (FFV) of 73 ILs was calculated using Molecular Dynamics (MD). A quantitative Structure-Property Relationship (QSPR) study...
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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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On dynamics of flexible branched shell structures undergoing large overall motion using finite elements
PublicationZaprezentowano autorski algorytm do analizy dynamicznej powłok sprężystych oparty na niejawnym schemacie Newmarka. Rozważania dotyczą całkowania po czasie dynamicznych równań ruchu sformułowanych w ramach nieliniowej sześcioparametrowej teorii powłok. Opracowanie zawiera pewne elementy analizy statycznej, poprzedzającej badania dynamiczne. Przykłady numeryczne prezentują zastosowanie algorytmu stanowią podstawową część pracy.
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Degradation of a nano-cutting tool: an MD simulation
PublicationW pracy przedstawiono wyniki symulacji wielokrotnego oddziaływania realistycznie ukształtowanego ostrza tnącego z modelowym, nieskończenie twardym ziarnem, przy zastosowaniu metody dynamiki molekularnej. Ostrze składało się z kilkuset tysięcy atomów metalu fcc, traktowanego za pomocą potencjału Suttona-Chena, przesuwane było ze stałą prędkością 20 m/s. Obserwowane deformacje plastyczne pojawiające się na skutek kontaktu ostrza...
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Wybrane elementy nieliniowej dynamiki struktur kratowych
PublicationW pracy jest dyskutowany problem nieliniowej dynamiki struktur kratowych. Zastosowano stacjonarny opis Lagrange'a (ang. Total Lagrange), pokazano silne i słabe sformułowanie dla pręta kratowego, jego aplikację do MES. W zakresie całkowania równań ruchu przedstawiono metodę Newmarka i metodę-a dla problemów liniowych i nieliniowych. Załączony przykład numeryczny ilustruje cechy przedstawionych metod.
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Laboratorium Dynamiki i Automatyzacji Maszyn Technologicznych
PublicationW dokumencie zawarto opis profilu działalności Laboratorium Dynamiki i Automatyzacji Maszyn Technologicznych utworzonego w ramach Katedry Technologii Maszyn i Automatyzacji Produkcji. Na dołączonych ilustracjach przedstawiono najważniejsze stanowiska badawczo- dydaktyczne oraz kilka przykładowych wyników testów zautomatyzowanych napędów.
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Connection matrix theory for discrete dynamical systems
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Connection matrix theory for discrete dynamical systems
PublicationIn [C] and [F1] the connection matrix theory for Morse decomposition is developedin the case of continuous dynamical systems. Our purpose is to study the case of discrete timedynamical systems.
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Dynamika piły tarczowej i wrzeciona przecinarki
PublicationOpisano metodykę określania właściwości dynamicznych układu wrzecionowego pilarki tarczowej w sposób eksperymentalny. Opisana metoda pozwala wykazać, że w określonych przypadkach o zachowaniu piły decydującą rolę może odgrywać wrzeciono pilarki i sposób jego napędu.