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Search results for: kwantowa dynamika
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Optimal Rotating Receiver Angles Estimation for Multicoil Dynamic Wireless Power Transfer
PublicationThis study proposed an approach to dynamic wireless charging that uses a rotating receiver coil. Our simulation study focused on the verification of a novel way of increasing the coupling coefficient and power transfer stability by following the flux of the transmitting coils. To obtain the highest possible coupling by means of the FEM analysis, we studied the optimization of the trajectory of the angular velocity of the rotating...
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Nonlocalized thermal behavior of rotating micromachined beams under dynamic and thermodynamic loads
PublicationRotating micromachined beams are one of the most practical devices with several applications from power generation to aerospace industries. Moreover, recent advances in micromachining technology have led to huge interests in fabricating miniature turbines, gyroscopes and microsensors thanks to their high quality/reliability performances. To this end, this article is organized to examine the axial dynamic reaction of a rotating...
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The Design Development of the Sliding Table Saw Towards Improving Its Dynamic Properties
PublicationCutting wood with circular saws is a popular machining operation in the woodworking and furniture industries. In the latter sliding table saws (panel saws) are commonly used for cutting of medium density fiberboards (MDF), high density fiberboards (HDF), laminate veneer lumber (LVL), plywood and chipboards of different structures. The most demanded requirements for machine tools are accuracy and precision, which mainly depend on...
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Modified dynamic time warping method applied to handwritten signature authenticity verification
PublicationA signature verification system based on static features and time-domain functions of signals obtained using a tablet has been presented in the paper. The signature verification method, based mainly on dynamic time warping coupled with some signature image features, has been described. The FRR measures reflecting the method’s efficiency have been evaluated for verification attempts performed directly after obtaining model signatures...
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Determination of the optimal curvature of the turnout diverging track for HSR using dynamic analysis
PublicationThe paper presents an analytical method of identifying the curvature of the turnout diverging track consisting of sections of varying curvature. Such turnout is mainly applied on High Speed Railway. Both linear and nonlinear (polynomial) curvatures of the turnout diverging track are considered in the paper. Obtained solutions enable to assume curvature values at the beginning and end point of the geometrical layout of the turnout.The...
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Voiceless Stop Consonant Modelling and Synthesis Framework Based on MISO Dynamic System
PublicationA 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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Dynamic Signal Strength Mapping and Analysis by Means of Mobile Geographic Information System
PublicationBluetooth beacons are becoming increasingly popular for various applications such as marketing or indoor navigation. However, designing a proper beacon installation requires knowledge of the possible sources of interference in the target environment. While theoretically beacon signal strength should decay linearly with log distance, on-site measurements usually reveal that noise from objects such as Wi-Fi networks operating in...
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Performance evaluation of unified memory and dynamic parallelism for selected parallel CUDA applications
PublicationThe aim of this paper is to evaluate performance of new CUDA mechanisms—unified memory and dynamic parallelism for real parallel applications compared to standard CUDA API versions. In order to gain insight into performance of these mechanisms, we decided to implement three applications with control and data flow typical of SPMD, geometric SPMD and divide-and-conquer schemes, which were then used for tests and experiments. Specifically,...
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Dynamic stability and spatial heterogeneity in the indyvidual-based modelling of a Lotka-Volterra gas.
PublicationPrzedstawiono wyniki symulacji systemu drapieżnik-ofiara. Dynamika populacji jest opisana oddziaływaniami typu Lotki Volterry ala uzyskane efekty przestrzenne różnia się od rozwiązań równań Lotki Voltery. Do analizy wyników symulacji uzyto miary entropii i korelacji. Entropia oscyluje w rytmie zgodnym z całą populacją, zaś średnie wartości korelacji skrosnej są zależne od rozmiarów okna obserwacji.
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models.
PublicationOpisano proces kondensacji pary wodnej w ujĘciu fenomenologicznymi dynamiczno-molekularnym. Wczesne fazy wzrostu klastra opisano w ramach klasycznej teorii Hertza-Knudsena. Obszernie przedstawiono wyniki symulacji dynamiczno-molekularnych zjawiska kondensacji pary wodnej z jednorodnej fazy gazowej (przebieg powstawania małych klastrów H2O i szybkość wzrostu klastrów ponadkrytycznych).
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Static and dynamic properties of light PU foam for building the shallow river barges
PublicationPrzedstawiono wyniki badań wytrzymałości statycznej na rozciąganie, ściskanie i ścinanie oraz zmęczeniowej przy obciążeniach ściskających jednostronnie tętniących pian poliuretanowych o gęstości 53 i 62 kg/m3, mierzonych w kierunku podłużnym i prostopadłym do kierunku wzrostu piany w procesie jej otrzymywania. Stwierdzono wyraźną anizotropię własności mechanicznych piany. Obserwowano znacznie silniejsze zniszczenie zmęczeniowe...
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Dynamic control of the receiving beam horizontal cross-section in the side scan sonar
PublicationW skonstruowanych przed kilkunastu laty a obecnie modernizowanych sonarach bocznych jako jeden z zabiegów modernizacyjnych wprowadzono dynamiczną regulację kąta rozwarcia odbiorczej charakterystyki kierunkowej w przekroju horyzontalnym. Regulacja taka zapewnia quasi-stałą rozdzielczość liniową sonaru (zamiast stałej rozdzielczości kątowej) przy odbiorze sygnałów echa ze wzrastających odległości od wykrywanych celów. W efekcie tego...
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Dynamic simulation as a tool for evaluation of the nitrogen removal capabilities at the "Gdańsk-Wschód" WWTP
PublicationCelem badań było przedstawienie możliwości zastosowania złożonego modelu biokinetycznych ASM2d do symulacji procesu usuwania azotu w oczyszczalni ścieków ''Wschód'' w Gdańsku. Szybkość procesów nitryfikacji i denitryfikacji została wyznaczona w warunkach laboratoryjnych za pomocą tzw. testów zlewkowych. Wyniki tych badań zostały wykorzystane do kalibracji modelu, w trakcie której zmieniano wartości tylko 5 parametrów kinetycznych....
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Comparison of corrosion resistance of al-alloys by means of dynamic electrochemical impedance spectroscopy
PublicationPrzeprowadzono badania metodą dynamicznej elektrochemicznej spektroskopii impedancyjne stopów 1100 i 5162. Zaproponowano zastępcze modele elektryczne opisujące zachowanie się stopów w warunkach ekspozycji w roztworach zawierających wysokie stężenie jonów chlorkowych. Wyznaczono zmiany podstawowych parametrów elektrycznych układów zastępczych od potencjału. Stwierdzono wyższą podatność na korozję stopu 5162 w porównaniu ze stopem...
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Dynamic FE simulations of buckling process in thin-walled cylindrical metal silos
PublicationW artykule przedstawiono wyniki dynamicznej analizy wyboczeniowej cienkościennych silosów metalowych o przekroju kołowym. Analizy MES wykonano dla wstępnych imperfekcji geometrycznych o różnym kształcie i amplitudzie. Wyniki analizy dynamicznej porównano z analizami statycznymi.
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Karol Grębowski dr inż.
PeopleKarol Grębowski (M.Sc.) works as an assistant at the Department of Technical Fundamentals of Architecture Design of the Faculty of Architecture at Gdansk University of Technology. His scientific research deals with dynamic phenomena occurring during the vibration of structures, bridges, and studies the design methodology of the elements forming passive protection system of the vehicles degraded by struck or explosion in the context...
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Dynamics of Asymmetric Conflict: Pathways toward Terrorism and Genocide
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SAE International Journal of Vehicle Dynamics Stability and NVH
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Mechanika Kwantowa - Kopia
e-Learning CoursesMechanika kwantowa, 5 semestr fizyki technicznej
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Dynamics of Continuous, Discrete and Impulsive Systems Series A: Mathematical Analysis
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Analiza modalna konstrukcji stanowiska badawczego dynamiki małogabarytowych wirników przy wykorzystaniu wzbudników drgań część 1. badania eksperymentalne
PublicationStreszczenie: W artykule przedstawiono przebieg i wyniki eksperymentalnej analizy modalnej konstrukcji stanowiska do badania wirników małogabarytowych, które miały w drugiej części pracy posłużyć do weryfikacji stworzonego modelu symulacyjnego. Wymuszeniem były dwa wzbudniki drgań, modułem akwizycji danych był SCADAS Mobile, a środowiskiem, w którym pracowano był Test.Lab 11 B. Obiekt badań podwieszono na elastycznych linach by...
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Analiza modalna konstrukcji stanowiska badawczego dynamiki małogabarytowych wirników przy wykorzystaniu wzbudników drgań. cz. II badania symulacyjne
Publicationstreszczenie: celem niniejszego artykułu było przedstawienie eksperymentalnej i symulacyjnej analizy modalnej stanowiska vibstand. w pracy przedstawiono dokładne wyniki badań symulacyjnych oraz skrótowo wyniki badań eksperymentalnych w celu porównania wyników. dokładne wyniki badań eksperymentalnych przedstawione zostały w części pierwszej artykułu (analiza modalna konstrukcji stanowiska badawczego dynamiki małogabarytowych wirników...
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Analiza modalna konstrukcji stanowiska badawczego dynamiki małogabarytowych wirników przy wykorzystaniu wzbudników drgań. cz. I. badania eksperymentalne.
Publicationstreszczenie: w artykule przedstawiono przebieg i wyniki eksperymentalnej analizy modalnej konstrukcji stanowiska do badania wirników małogabarytowych, które miały w drugiej części pracy posłużyć do weryfikacji stworzonego modelu symulacyjnego. wymuszeniem były dwa wzbudniki drgań, modułem akwizycji danych był scadas mobile, a środowiskiem, w którym pracowano był test.lab 11 b. obiekt badań podwieszono na elastycznych linach by...
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Ocena i predykcja dynamiki epidemii COVID-19 na podstawie obecności wirusa SARS-CoV-2 w ściekach
PublicationCOVID-19 - wywołany przez wirusa SARS-CoV-2, prowadzący m.in. do ostrej niewydolności oddechowej, spowodował kryzys w służbie zdrowia i istotne implikacje społeczno-gospodarcze. Główną drogą przenoszenia SARS-CoV-2 jest droga kropelkowa, czyli aerozole z dróg oddechowych, generowane przez kaszel, kichanie i mówienie. Zakażenie SARS-CoV-2 może nie tylko wpływać na układ oddechowy, powodując gorączkę, kaszel, wyciek z nosa, duszność...
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Editorial: smart modeling support for managing complexities and dynamics of knowledge-based systems-part 1
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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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UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics
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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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Adsorption dynamics of chlorinated hydrocarbons from multi-component aqueous solution onto activated carbon
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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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...