Filtry
wszystkich: 1207
-
Katalog
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: Classical MD
-
Dominika Wróblewska dr inż. arch.
OsobyDr inż. arch. Dominika Wróblewska, profesor uczelni uzyskała tytuł doktora nauk technicznych w 2000 roku. Od 2002 roku rozpoczęła pracę na wydziale Budownictwa Wodnego i Inżynierii Środowiska na Politechnice Gdańskiej (obecnie wydział Inżynierii Lądowej i Środowiska) na stanowisku adiunkta. Od 2019 roku pracuje na stanowisku profesora uczelni. Obszary zainteresowań to zmiany wprowadzanie edukacji opartej na interdyscyplinarnym...
-
Continuum contact model for friction between graphene sheets that accounts for surface anisotropy and curvature
PublikacjaUnderstanding the interaction mechanics between graphene layers and co-axial carbon nanotubes (CNTs) is essential for modeling graphene and CNT-based nanoelectromechanical systems. This work proposes a new continuum contact model to study interlayer interactions between curved graphene sheets. The continuum model is calibrated and validated using molecular dynamics (MD) simulations. These are carried out employing the reactive...
-
PTD4 Peptide Increases Neural Viability in an In Vitro Model of Acute Ischemic Stroke
PublikacjaIschemic stroke is a disturbance in cerebral blood flow caused by brain tissue ischemia and hypoxia. We optimized a multifactorial in vitro model of acute ischemic stroke using rat primary neural cultures. This model was exploited to investigate the pro-viable activity of cell-penetrating peptides: arginine-rich Tat(49–57)-NH2 (R49KKRRQRRR57-amide) and its less basic analogue, PTD4 (Y47ARAAARQARA57-amide). Our model included glucose...
-
Encapsulation of an anticancer drug Isatin inside a host nano-vehicle SWCNT: a molecular dynamics simulation
PublikacjaThe 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...
-
The structurally similar TRFH domain of TRF1 and TRF2 dimers shows distinct behaviour towards TIN2
PublikacjaThe telomere repeat binding-factor 1 and 2 (TRF1 and TRF2) proteins of the shelterin complex bind to duplex telomeric DNA as homodimers, and the homodimerization is mediated by their TRFH (TRF-homology) domains. We performed molecular dynamic (MD) simulations of the dimer forms of TRF1TRFH and TRF2TRFH in the presence/absence of the TIN2TBM (TIN2, TRF-interacting nuclear protein 2, TBM, TRF-binding motif) peptide. The MD results...
-
Rotor-Flux Vector based Observer of Interior Permanent Synchronous Machine
PublikacjaThe sensorless control system of the interior permanent magnet machine is considered in this paper. The control system is based on classical linear controllers. In the machine, there occurs non-sinusoidal distribution of rotor flux together with the slot harmonics, which are treated as the control system disturbances. In this case, the classical observer structure in the (d-q) is unstable for the low range of rotor speed resulting...
-
Krzysztof Olszewski dr
Osoby -
Regularized identification of fast time-varying systems - comparison of two regularization strategies
PublikacjaThe problem of identification of a time-varying FIR system is considered and solved using the local basis function approach. It is shown that the estimation (tracking) results can be improved by means of regularization. Two variants of regularization are proposed and compared: the classical L2 (ridge) regularization and a new, reweighted L2 one. It is shown that the new approach can outperform the classical one and is computationally...
-
Coupling transformation of carbon, nitrogen and sulfur in a long-term operated full-scale constructed wetland
PublikacjaThe coupling transformation of carbon, nitrogen and sulfur compounds has been studied in lab-scale and pilot-scale constructed wetlands (CWs), but few studies investigated full-scale CW. In this study, we used batch experiments to investigate the potentials of carbon, nitrogen and sulfur transformation in a long-term operated, full-scale horizontal subsurface flow wetland. The sediments collected from the HSFW were incubated for...
-
Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models
PublikacjaW artykule opisano wzrost klastrów krytycznych w ramach klasycznego podejścia fenomenologicznego oraz dynamiczno-molekularnego (MD). Została wyprowadzona nowa formuła opisujaca liczbę klastrów krytycznych. Sformułowano równania opisujace wczesne etapy wzrostu kropli o rozmiarach krytycznych. Opisano wyniki symulacji dynamiczno-molekularnych powstawania klastrów w jednorodnej parze przesyconej oraz podano czasowe zmiany rozkładu...
-
Dynamical objectivity in quantum Brownian motion
PublikacjaClassical objectivity as a property of quantum states —a view proposed to explain the observer-independent character of our world from quantum theory, is an important step in bridging the quantum-classical gap. It was recently derived in terms of spectrum broadcast structures for small objects embedded in noisy photon-like environments. However, two fundamental problems have arisen: a description of objective motion and applicability...
-
Towards Resource Theory of Coherence in Distributed Scenarios
PublikacjaThe search for a simple description of fundamental physical processes is an important part of quantum theory. One example for such an abstraction can be found in the distance lab paradigm: if two separated parties are connected via a classical channel, it is notoriously difficult to characterize all possible operations these parties can perform. This class of operations is widely known as local operations and classical communication....
-
Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?
PublikacjaFor the last several tens of years, computer simulations have become of undeniable importance. Molecular Dynamics (MD) simulation techniques are used to examine the phenomena which occur at the level that cannot be observed directly. Thus, they can be successfully exploited in many different scientific fields such as: materials science, applied mathematics and theoretical physics, biochemistry, biophysics or drug design. Despite...
-
Testing interaction models by using x-ray absorption spectroscopy: solid Pb
PublikacjaPraca prezentuje zastosowanie metody EXAFS jako narzędzia do testowania potencjałów oddziaływań międzyatomowych używanych w symulacjach dynamiczno-molekularnych na przykładzie czystego ołowiu w fazie stałej (od temperatury pokojowej do temperatury topnienia). Testowaniu poddano następujące potencjały: dwuciałowy empiryczny potencjał Dzugutova, Larssona i Ebbsjo (DLE), potencjał ciasnego wiązania (TB) i potencjał w modelu osadzonego...
-
No-local-broadcasting theorem for multipartite quantum correlations
PublikacjaWe prove that the correlations present in a multipartite quantum state have an operational quantum character even if the state is unentangled, as long as it does not simply encode a multipartite classical probability distribution. Said quantumness is revealed by the new task of local broadcasting, i.e., of locally sharing preestablished correlations, which is feasible if and only if correlations are stricly classical. Our operational...
-
The equivariant spectral flow and bifurcation of periodic solutions of Hamiltonian systems
PublikacjaWe define a spectral flow for paths of selfadjoint Fredholm operators that are equivariant under the orthogonal action of a compact Lie group as an element of the representation ring of the latter. This G-equivariant spectral flow shares all common properties of the integer valued classical spectral flow, and it can be non-trivial even if the classical spectral flow vanishes. Our main theorem uses the G-equivariant spectral flow...
-
Stanisław Łącki-Zynzeling
Osoby -
Molecular Recognition in Complexes of TRF Proteins with Telomeric DNA
PublikacjaTelomeres are specialized nucleoprotein assemblies that protect the ends of linear chromosomes. In humans and many other species, telomeres consist of tandem TTAGGG repeats bound by a protein complex known as shelterin that remodels telomeric DNA into a protective loop structure and regulates telomere homeostasis. Shelterin recognizes telomeric repeats through its two major components known as Telomere Repeat-Binding Factors, TRF1...
-
Quantum communication complexity advantage implies violation of a Bell inequality
PublikacjaWe obtain a general connection between a quantum advantage in communication complexity and non-locality. We show that given any protocol offering a (sufficiently large) quantum advantage in communication complexity, there exists a way of obtaining measurement statistics which violate some Bell inequality. Our main tool is port-based teleportation. If the gap between quantum and classical communication complexity can grow arbitrarily...
-
Elimination of impulsive disturbances from archive audio files – comparison of three noise pulse detection schemes
PublikacjaThe problem of elimination of impulsive disturbances (such as clicks, pops, ticks, crackles, and record scratches) from archive audio recordings is considered and solved using autoregressive modeling. Three classical noise pulse detection schemes are examined and compared: the approach based on open-loop multi-step-ahead signal prediction, the approach based on decision-feedback signal prediction, and the double threshold approach,...
-
Bistability in a One-Dimensional Model of a Two-Predators-One-Prey Population Dynamics System
PublikacjaIn this paper, we study a classical two-predators-one-prey model. The classical model described by a system of three ordinary differential equations can be reduced to a one-dimensional bimodalmap. We prove that this map has at most two stable periodic orbits. Besides, we describe the bifurcation structure of the map. Finally, we describe a mechanism that leads to bistable regimes. Taking this mechanism into account, one can easily...
-
Entangled rendezvous: a possible application of Bell non-locality for mobile agents on networks
PublikacjaRendezvous is an old problem of assuring that two or more parties, initially separated, not knowing the position of each other, and not allowed to communicate, are striving to meet without pre-agreement on the meeting point. This problem has been extensively studied in classical computer science and has vivid importance to modern and future applications. Quantum non-locality, like Bell inequality violation, has shown that in many...
-
A graph coloring approach to scheduling of multiprocessor tasks on dedicated machines with availability constraints
PublikacjaWe address a generalization of the classical 1- and 2-processor unit execution time scheduling problem on dedicated machines. In our chromatic model of scheduling machines have non-simultaneous availability times and tasks have arbitrary release times and due dates. Also, the versatility of our approach makes it possible to generalize all known classical criteria of optimality. Under these stipulations we show that the problem...
-
Comparison of nitrogen and VFA removal pathways in autotrophic and organotrophic anammox reactors
PublikacjaOrganotrophic anammox is a promising process for treating both nitrogen and organic containing wastewater than that of the traditional autotrophic anammox for sole nitrogen removal. However pathways of nitrogen removal particularly at metagenomic level in both processes are still unknown. Here we report, metabolic pathways of nitrogen removal in two lab-scale sequencing batch reactors (SBR), one autotrophic and another organotrophic...
-
Robust estimation of deformation from observation differences for free control networks
PublikacjaDeformation measurements have a repeatable nature. This means that deformation measurements are performed often with the same equipment, methods, geometric conditions and in a similar environment in epochs 1 and 2 (e.g., a fully automated, continuous control measurements). It is, therefore, reasonable to assume that the results of deformation measurements can be distorted by both random errors and by some non-random errors, which...
-
Thin-walled frames and grids - statics and dynamics
PublikacjaFrames and grids assembled with thin-walled beams of open cross-section are widely applied in various civil engineering and vehicle or machine structures. Static and dynamic analysis of theses structures may be carried out by means of different models, startingfrom the classical models made of beam elements undergoing the Kirchhoff assumptions to the FE discretization of whole frame into plane elements. The former model is very...
-
Mechanics I, W/C, MiBM, sem. 02, lato 22/23 (PG_00050273)
Kursy OnlineThe course provides students with basic knowledge of Classical Mechanics. Terms, assumptions, principles and methods of Statics, Kinematics and Kinetics are treated. General methods based on the principles of conservation of momentum and energy are considered for a particle, a body and a system of bodies. The main emphasis is on the development of skills to efficiently schematise, solve and analyse typical problems.
-
Mechanics II, W/C, MiBM, sem. 03, zima 22/23 (PG_00055119)
Kursy OnlineThe course provides students with basic knowledge of Classical Mechanics. Terms, assumptions, principles and methods of Statics, Kinematics and Kinetics are treated. General methods based on the principles of conservation of momentum and energy are considered for a particle, a body and a system of bodies. The main emphasis is on the development of skills to efficiently schematise, solve and analyse typical problems.
-
Mechanics II, W/C, ZiIP, sem. 03, zima 23/24 (PG_00055119)
Kursy OnlineThe course provides students with basic knowledge of Classical Mechanics. Terms, assumptions, principles and methods of Statics, Kinematics and Kinetics are treated. General methods based on the principles of conservation of momentum and energy are considered for a particle, a body and a system of bodies. The main emphasis is on the development of skills to efficiently schematise, solve and analyse typical problems.
-
Mechanics I, W/C, ZiIP, sem. 02, lato 23/24 (PG_00050273)
Kursy OnlineThe course provides students with basic knowledge of Classical Mechanics. Terms, assumptions, principles and methods of Statics, Kinematics and Kinetics are treated. General methods based on the principles of conservation of momentum and energy are considered for a particle, a body and a system of bodies. The main emphasis is on the development of skills to efficiently schematise, solve and analyse typical problems.
-
Free volume in physical absorption of carbon dioxide in ionic liquids: Molecular dynamics supported modeling
PublikacjaUnderstanding 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...
-
Assessment of organic coating degradation via local impedance imaging
PublikacjaThe paper presents a new approach to organic coating condition evaluation at micrometer scale using localized impedance measurements. It is based on atomic force microscopy (AFM) in contact mode. Impedance is measured between conductive AFM tip and metal substrate covered with organic coating. A single-frequency voltage perturbation signal is applied between the electrodes and current response signal is registered. As the tip is...
-
Equivalent Single Layer Models in Free Vibration Analysis of Laminated Multi-Layered Plates
PublikacjaThe performance of selected equivalent single-layer (ESL) models is evaluated within several classical benchmark tests for small amplitude free vibration analysis of multi-layered plates. The authors elaborated their own Finite Element software based on the first-order shear deformation (FOSD) theory with some modifications incorporated including a correction of the transverse shear stiffness and an application of zigzag type functions....
-
Equations with Separated Variables on Time Scales
PublikacjaWe show that the well-known theory for classical ordinary differential equations with separated variables is not valid in case of equations on time scales. Namely, the uniqueness of solutions does not depend on the convergence of appropriate integrals.
-
Analytical progress on symmetric geometric discord: Measurement-based upper bounds
PublikacjaQuantum correlations may be measured by means of the distance of the state to the subclass ofstates having well defined classical properties. In particular, a geometric measure of asymmetricdiscord [Daki´c et al., Phys. Rev. Lett. 105, 190502 (2010)] was recently defined as the Hilbert-Schmidt distance of a given two-qubit state to the closest classical-quantum (CQ) correlated state.We analyze a geometric measure of symmetric...
-
Fractional Order Dynamic Positioning Controller
PublikacjaImproving the performance of Dynamic Positioning System in such applications as station keeping, position mooring and slow speed references tracking requires improving the position and heading control precision. These goals can be achieved through the improvement of the ship control system. Fractional-order calculus is a very useful tool which extends classical, integer-order calculus and is used in contemporary modeling and control...
-
Superadditivity of two quantum information resources
PublikacjaEntanglement is one of the most puzzling features of quantum theory and a principal resource for quantum information processing. It is well known that in classical information theory, the addition of two classical information resources will not lead to any extra advantages. On the contrary, in quantum information, a spectacular phenomenon of the superadditivity of two quantum information resources emerges. It shows that quantum...
-
Thermal and solutal performance of Cu/CuO nanoparticles on a non-linear radially stretching surface with heat source/sink and varying chemical reaction effects
Publikacja -
Hybridized Space-Vector Pulsewidth Modulation for Multiphase Two-Level Voltage Source Inverter
PublikacjaIn space vector pulsewidth modulation (SVPWM) algorithms for multiphase two-level voltage source inverters (VSI), the components of active vectors in all orthogonal spaces have to be calculated within the processor and stored in its memory. These necessitate intensive computational efforts of the processor and large memory space. This article presents a hybridized SVPWM for multiphase two-level VSI. In this algorithm, elements...
-
Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublikacjaThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
-
Formulation of Time-Fractional Electrodynamics Based on Riemann-Silberstein Vector
PublikacjaIn this paper, the formulation of time-fractional (TF) electrodynamics is derived based on the Riemann-Silberstein (RS) vector. With the use of this vector and fractional-order derivatives, one can write TF Maxwell’s equations in a compact form, which allows for modelling of energy dissipation and dynamics of electromagnetic systems with memory. Therefore, we formulate TF Maxwell’s equations using the RS vector and analyse their...
-
Equivalent single-layer models in deformation analysis of laminated multilayered plates
PublikacjaThe performance of selected Equivalent Single-Layer (ESL) models is evaluated within several classical benchmark tests for linear static analysis of multi-layered plates. The authors elaborated their own Finite Element software based on the first-order shear deformation theory (FOSD) with some modifications incorporated including a correction of the transverse shear stiffness and an application of zig-zag type functions. Seven...
-
Dariusz Dobrowolski MD, PhD
Osoby -
Tomasz Szadejko MD Engineer
Osoby -
Regina Podlasin MD, PhD
Osoby -
Tomasz Szadejko MD Engineer
Osoby -
Analiza porównawcza procesów tłumienia i wygładzania fali ciśnienia w trakcie nieustalonego przepływu w rurociągach wykonanych z różnych materiałów.
PublikacjaUderzenie hydrauliczne jest uważane za jeden z najważniejszych problemów nieustalonego przepływu w przewodach, dlatego nadal stanowi obiekt badań wielu naukowców. To zagadnienie może być badane na dwóch poziomach: praktycznym i teoretycznym. W artykule zaprezentowane zostały wyniki badań doświadczalnych przeprowadzonych na stanowisku pomiarowym nieustalonego przepływu, funkcjonującym w Laboratorium Hydraulicznym Wydziału Inżynierii...
-
Biodegradable polymers for food packaging - factors influencing their degradation and certification types - a comprehensive review
PublikacjaIn the paper an overview of novel biodegradable polymers for food packaging can be found. The aim was to present factors influencing polymer degradation and biodegradation in various environments. It was noted that biodegradable polymers are imperfect alternative for classical polymers and its decomposition strongly depends on degradation environment.
-
Bioassays as one of the Green Chemistry tools for assessing environmental quality: A review
PublikacjaFor centuries, mankind has contributed to irreversible environmental changes, but due to the modern science of recent decades, scientists are able to assess the scale of this impact. The introduction of laws and standards to ensure environmental cleanliness requires comprehensive environmental monitoring, which should also meet the requirements of Green Chemistry. The broad spectrum of Green Chemistry principle applications should...
-
TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublikacjaWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...