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Search results for: kwantowa dynamika
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An elasto-plastic constitutive model with non-local softening and viscosity to describe dynamic concrete behaviour.
PublicationW artykule zaproponowano model do opisu betonu podczas dynamicznego obciążenia. Przyjęto model sprężysto-plastyczny z degradacją sztywności i nielokalnym osłabieniem rozszerzony o lepkość. Obliczenia MES dla elementów betonowych pod obciążeniem dynamicznym o różnej prędkości obciążenia porównano z doświadczeniami.
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Developmental Dynamics (Formerly :American Journal of Anatomy 0002-9106)
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Marek Szelągowski dr
PeopleMarek Szelągowski has participated in the creation and implementation of IT solutions in the fields of accounting, human resources management, production, IT infrastructure management, etc. As the CIO of the BUDIMEX Group in 2000–2008 he was responsible for the accommodation of informatization strategies to the changing needs of the business sector. He was managing and participating in analyses and optimizations of business processes...
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Fizyka Kwantowa dla Inżyniera Open Access
e-Learning CoursesKurs Fizyka Kwantowa jest propozycją Open Access. Na kurs można się zapisać samodzielnie.
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Higly efficient near-infrared organic excimer electrphosphorescent diodes
PublicationW pracy opisano konstrukcję diody elektrofosforescencyjnej z emiterem w postaci organicznego kompleksu platyny (II). Dioda wysyła promieniowanie w bliskiej podczerwieni (705-720nm) pochodzące od ekscymerów trypletowych. Maksymalna użyteczna wydajność kwantowa diody wynosi 9.8-10.7%.
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Mechanika kwantowa 2022/2023
e-Learning CoursesMechanika kwantowa, kierunek: Nanotechnologia, I stopień, semestr 5
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Inżynieria kwantowa 2024/2025
e-Learning CoursesInżynieria kwantowa, kierunek: Nanotechnologia, I stopień, semestr 5
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Mechanika kwantowa 2023/2024
e-Learning CoursesMechanika kwantowa, kierunek: Nanotechnologia, I stopień, semestr 5
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Dynamic elastic modulus data of cementitous material with biochar and recycled fines
Open Research DataDynamic elastic modulus data of cementitous material with biochar and recycled fines using Schleibinger Vikasonic device.
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Photodissociation of polyatomic systems: non-adiabatic effects and conical intersection
PublicationPodano przykłady mechanizmów fotodysocjacji w cząsteczkach chloru bromoacetylowego i rodnika winiksydowego. Zastosowano kwantowe symulacje dynamiczne.
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Independent dynamics of low, intermediate, and high frequency spectral intracranial EEG activities during human memory formation
PublicationA wide spectrum of brain rhythms are engaged throughout the human cortex in cognitive functions. How the rhythms of various frequency ranges are coordinated across the space of the human cortex and time of memory processing is inconclusive. They can either be coordinated together across the frequency spectrum at the same cortical site and time or induced independently in particular bands. We used a large dataset of human intracranial...
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Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins
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Self-assembly and interactions of short antimicrobial cationic lipopeptides with membrane lipids: ITC, FTIR and molecular dynamics studies
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LF NMR spectroscopy analysis of water dynamics and texture of Gluten-Free bread with cricket powder during storage
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On the Possibility of the Amphotericin B-Sterol Complex Formation in Cholesterol- and Ergosterol-Containing Lipid Bilayers: A Molecular Dynamics Study
PublicationAmphotericin B (AmB) is a well-known membrane-active antibiotic that has been used to treat systemicfungal infections for more than 45 years. Therapeutic application of AmB is based on the fact that it is moreactive against ergosterol-containing membranes of fungal cells than against mammalian membranes withcholesterol. In this paper, we examine the hypothesis according to which the selectivity of the AmB's membraneaction originates...
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Expansion and population dynamics of a non-native invasive species: the 40-year history of American mink colonisation of Poland
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A systematic approach to understand hydrogeochemical dynamics in large river systems: Development and application to the River Ganges (Ganga) in India
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MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?
PublicationPraca dotyczy pH zależnych zmian konformacyjnych EF pętli beta-laktoglobuliny. Zmiany te są śledzone za pomocą metod obliczeniowych chemii (dynamika molekularna oraz metody MM/PBSA).
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Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublicationGlucosamine-6-phosphate (GlcN-6-P) synthase catalyses the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5' diphospho N-acetyl-D-glucosamine (UDPGlcNAc), is an essential substrate for assembly of bacterialand fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which makes it a potential target...
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Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations
PublicationCalculations are reported for electron and positron scattering from isolated cytosine and thymine, where the two pyrimidinic single-ring DNA bases, in the gas-phase at energies near the elastic threshold, they reveal the special features of the dipole-driven scattering states. All molecules examined exhibit, in fact, supercritical (>1.67 D) permanent dipoles which can therefore also support, below threshold, excited bound compound...
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Diagnostics of UV Nanosecond Laser Generated Plasma Plume Dynamics in Ambient Air Using Time-Resolved Imaging
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Investigating the Ischaemic Phase of Skin NADH Fluorescence Dynamics in Recently Diagnosed Primary Hypertension: A Time Series Analysis
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublicationThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Dynamics of cutting power during sawing with circular saw blades as an effect of wood properties changes in the cross section
PublicationIn the paper the effect of the method calculation upon the cutting power is presented. In computations were used models in which fracture toughness was incorporated. The comparison concerned models as follows: FM-CM – classic model in which the sum of all uncut chip thicknesses of the simultaneously teeth engaged represented the mean uncut chip thickness, FM-FDM – full dynamical model in which besides variable uncut chip thickness...
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Comparative molecular dynamics study of dimeric and monomeric forms of HIV-1 protease in ligand bound and unbound state
PublicationHuman immunodeficiency virus type 1 protease (HIV-1 PR) is a viral-encoded enzyme that forms a homodimer. HIV-1 PR is essential for replication and assembly of the virus and inactivation of HIV-1 PR enzyme causes production of immature, noninfectious viral particles and thus HIV-1 PR is an attractive target in anti-AIDS drug design. In our current work, we performed molecular dynamics (MD) calculations (500 ns) for two different...
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Discrete identification of continuous non-linear and non-stationary dynamical systems that is insensitive to noise correlation and measurement outliers
PublicationThe paper uses specific parameter estimation methods to identify the coefficients of continuous-time models represented by linear and non-linear ordinary differential equations. The necessary approximation of such systems in discrete time in the form of utility models is achieved by the use of properly tuned `integrating filters' of the FIR type. The resulting discrete-time descriptions retain the original continuous parameterization...
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High frequency dynamics of an isotropic Timoshenko periodic beam by the use of the Time-domain Spectral Finite Element Method
PublicationIn this work results of numerical simulations and experimental measurements related to the high frequency dynamics of an aluminium Timoshenko periodic beam are presented. It was assumed by the authors that the source of beam structural periodicity comes from periodical alterations to its geometry due to the presence of appropriately arranged drill-holes. As a consequence of these alterations dynamic characteristics of the beam...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublicationIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Influence of the Square Wave Voltage on Dynamical Properties of a Flat Voltammetric Electrode in the Time Domain by the Electrochemical Reversible Reaction
PublicationIn this article there is a presentation of the analysis of the polarizing voltage shape influencing dynamic properties of voltammetric electrodes when on their surface reversible reaction takes place in the time domain. The electrode polarization with linearly increasing voltage and with a square component, was analyzed. The analysis that were conducted showed that the voltammetric electrode behaves like a first order transducer....
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Rafał Łangowski dr inż.
PeopleRafał Łangowski received the M.Sc. and the Ph.D. degrees (Hons.) in control engineering from the Faculty of Electrical and Control Engineering at the Gdańsk University of Technology in 2003 and 2015, respectively. From 2007 to 2014, he held the specialist as well as manager positions at ENERGA, one of the biggest energy enterprises in Poland. He is currently an Assistant Professor with the Department of Intelligent Control and...
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Obliczenia Kwantowe
e-Learning CoursesInformatyka, stopien II, sem. II, studia stacjonarne
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Krzysztof Lipiński dr hab. inż.
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Krzysztof Jan Kaliński prof. dr hab. inż.
PeopleKrzysztof J. Kaliński completed his MSc study at Gdańsk University of Technology (GUT) Faculty of Production Engineering (1980, result – get a first). He obtained PhD at GUT Faculty of Machine Building (1988, result – get a first), DSc at GUT Faculty of Mechanical Engineering (ME) (2002, result – get a first), and professor’s title – w 2013 r. In 2015 r. he became full professor, and since 2019 - professor.His research area includes:...
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Dynamika morza
e-Learning CoursesKurs realizowany zgodnie z programem studiów na Wydziale Inżynierii Lądowej i Środowiska (WIJiŚ) Politechniki Gdańskiej. Studia: II stopnia - magisterskie, stacjonarne Kierunek: Budownictwo wodne i morskie
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VEHICLE SYSTEM DYNAMICS
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MULTIBODY SYSTEM DYNAMICS
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Determination of the dynamic critical maneuvering area in an encounter between two vessels: Operation with negligible environmental disruption
PublicationThis paper introduces the concept of Collision Avoidance Dynamic Critical Area (CADCA) for onboard Decision Support Systems (DSS). The indicator proposed is derived via identification of a minimum required maneuvering zone in an encounter between two vessels. The CADCA model accounts for ship maneuvering dynamics and associated hydrodynamic actions emerging from different rudder angles and forward speed effects. The method presented...
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Numerical evaluation of dynamic response of an experimentally tested base-isolated and fixed-base steel structure model
PublicationSeismic isolation is recognized as one of the most popular and effective methods of protecting structures during earthquake. The present paper is focused on the comparison be-tween the dynamic responses of buildings with fixed and isolated bases exposed to seismic exci-tations. The aim of the study is to investigate the effectiveness of a simplified base isolation numerical modelling technique using the linear springs. One-storey...
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Resistant to correlated noise and outliers discrete identification of continuous non-linear non-stationary dynamic objects
PublicationIn this article, specific methods of parameter estimation were used to identify the coefficients of continuous models represented by linear and nonlinear differential equations. The necessary discrete-time approximation of the base model is achieved by appropriately tuned FIR linear integral filters. The resulting discrete descriptions, which retain the original continuous parameterization, can then be identified using the classical...
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Resistant to correlated noise and outliers discrete identification of continuous non-linear non-stationary dynamic objects
PublicationIn this study, dedicated methods of parameter estimation were used to identify the coefficients of continuous models represented by linear and nonlinear differential equations. The necessary discrete-time approximation of the base model is achieved by appropriately tuned FIR linear integral filters. The resulting discrete descriptions, which retain the original continuous parameterization, can then be identified using the classical...
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Determination of the dynamic critical maneuvering area in an encounter between two vessels: Operation with negligible environmental disruption
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New devices to capture the temperature effect under dynamic compression and impact perforation of polymers, application to PMMA
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Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....
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Fatigue resistance investigation of the IC engine MB11 bearings, working under conditions of dynamic unidirectional loadings
PublicationThe slide bearing material MB11 fatigue resistance has been investigated with the application of SMOK - test stand in which dynamic unidirectional loadings to the test bearing is generated. Slide bearing layer consists of the bronze MB11 ( Cu Pb22 Sn 3 ) sintered to the steel shell. Each of the tested bearing has been subject to the standard 20-hour test, under conditions of the full fluid lubrication. Methodology of the experiments,...
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Appliance of High Speed Camera during Industrial Exploitation on the Example of Static and Dynamic Tests of Steel Probes
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Numerical analysis by FEM and analytical study of the dynamic thermal behavior of hollow bricks with different cavity concentration
PublicationThis paper presents the investigation results on the influence of the cavity concentration in hollow bricks on static and dynamic thermal parameters: a time lag, a decrement factor, an equivalent thermal diffusivity (ETD) and an equivalent thermal conductivity (ETC). The dynamic thermal behavior of hollow bricks is studied with an optimized cavity shape to reduce the intensity of radiation and convective heat exchange. The thermal...
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Numerical analysis by FEM and analytical study of the dynamic thermal behavior of hollow bricks with different cavity concentration
PublicationThis paper presents the investigation results on the influence of the cavity concentration in hollow bricks on static and dynamic thermal parameters: a time lag, a decrement factor, an equivalent thermal diffusivity (ETD) and an equivalent thermal conductivity (ETC). The dynamic thermal behavior of hollow bricks is studied with an optimized cavity shape to reduce the intensity of radiation and convective heat exchange. The thermal...
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Stability of softly switched multiregional dynamic output controllers with a static antiwindup filter: A discrete-time case
PublicationThis paper addresses the problem of model-based global stability analysis of discrete-time Takagi–Sugeno multiregional dynamic output controllers with static antiwindup filters. The presented analyses are reduced to the problem of a feasibility study of the Linear Matrix Inequalities (LMIs), derived based on Lyapunov stability theory. Two sets of LMIs are considered candidate derived from the classical common quadratic Lyapunov...
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Evaluation of cavitation erosion–corrosion degradation of mild steel by means of dynamic impedance spectroscopy in galvanostatic mode
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Initializing the EM Algorithm for Univariate Gaussian, Multi-Component, Heteroscedastic Mixture Models by Dynamic Programming Partitions
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