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Wyniki wyszukiwania dla: stochastic dynamics
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Formation of carbon monoxide by radiative association: a quantum dynamical study
PublikacjaRate coefficients for the formation of carbon monoxide (CO) by radiative association of carbon and oxygen atoms are computed using quantum dynamical simulations. At temperatures above 10 K CO radiative association is dominated by C(3P) and O(3P) approaching on the A1Π potential energy curve. The rate coefficient is estimated as k=A(T/300 K)αexp−β/T with A= 1.39 × 10−18 cm3 s−1, α=−0.016 and β= 92.2 for temperatures between 6 and...
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Znaczenie i dynamika efektuacji w działaniach zespołów projektowych IT
PublikacjaCel: Celem opracowania jest sprawdzenie, na ile wdrażanie zasad efektuacji jest korzystne dla efektywności zespołów projektowych pracujących nad innowacyjnymi rozwiązaniami i czy wpływa na ich satysfakcję. Metodyka badań: Badania ilościowe zrealizowano w studenckich zespołach projektowych z branży IT, opracowujących rozwiązania na zlecenie interesariuszy zewnętrznych. Do pomiaru zmiennych wykorzystano autorskie kwestionariusze....
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Model dynamiki sprężarki wirnikowej z regulowanymi łopatkami kierownicy
PublikacjaPrzedstawiono model dynamiki sprężarki wirnikowej turbiny gazowej współpracującej z siecią elektroenergetyczną. Model symuluje charakterystyki statyczne i dynamiczne sprężarki wirnikowej z regulowanym kątem nastawienia łopatek kierowniczych wlotowych. Za pomocą przedstawionego modelu dynamiki bloku elektroenergetycznego turbiny gazowej symulowano charakterystyki statyczne układu oraz charakterystyki dynamiczne. Odpowiedzi skokowe...
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Wybrane uwagi o analizie dynamicznej ciała sztywnego i powłok sprężystych. Problemy dynamiki konstrukcji. Zbiór prac XI Międzynarodowego Sympozjum Dynamiki Konstrukcji.
PublikacjaPraca podejmuje tematykę ruchu kulistego bryły sztywnej i metod jej wyznaczania. Zastosowane procedury numeryczne testowane dla przypadku bryły sztywnej są stosowane do analizy dynamicznej powłok sprężystych na podstawie analogii równań dynamiki.
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Interval estimator for chlorine monitoring in drinking water distribution systems under uncertain system dynamics, inputs and state measurement errors
PublikacjaThe design of interval observer for estimation of unmeasured state variables for application to drinking water distribution systems is described in this paper. In particular, it considers the design of such observer for estimation of water quality described by free chlorine concentration. An interval observer is derived to produce robust interval bounds on the estimated water quality state variables. The stability and robustness...
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Tackling Air Pollution in Cities with Modelling and Simulation: Remote Group Model Building as an Educational Tool Supporting System Dynamics Modelling
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Phonon confinement and interface lattice dynamics of ultrathin high-k rare earth sesquioxide films: the case of Eu2O3 on YSZ(001)
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Dynamics of hepatitis B virus quasispecies heterogeneity in association with nucleos(t)ide analogue treatment determined by MALDI-TOF MS
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Arginine-, d-arginine-vasopressin, and their inverso analogues in micellar and liposomic models of cell membrane: CD, NMR, and molecular dynamics studies
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Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins
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Structural elucidation of transmembrane transporter protein bilitranslocase: Conformational analysis of the second transmembrane region TM2 by molecular dynamics and NMR spectroscopy
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Long range molecular dynamics study of interactions of the eukaryotic glucosamine-6-phosphate synthase with fructose-6-phosphate and UDP-GlcNAc
PublikacjaGlucosamine-6-phosphate synthase (EC 2.6.1.16) is responsible for catalysis of the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5 diphospho Nacetyl- d-glucosamine (UDP-GlcNAc), is an essential substrate for assembly of bacterial and fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which...
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Characteristics of hydration water around hen egg lysozyme as the protein model in aqueous solution. FTIR spectroscopy and molecular dynamics simulation
PublikacjaW niniejszej pracy przedstawiono wyniki badań dotyczące hydratacji białka modelowego - lizozymu z jaja kurzego w roztworze wodnym. Wiodącą techniką stosowaną w badaniach była spektroskopia oscylacyjna FTIR z zastosowaniem techniki rozcieńczenia izotopowego wody półciężkiej HDO w roztworze wody zwykłej. Analiza widma HDO przy pomocy "metody widm zaburzonych" pozwoliła na wyizolowanie widma wody zaburzonej przez lizozym, a tym samym...
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Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publikacjaw tej publikacji badano metodami kwantowo-chemicznymi różne strategie mechanosyntezy heksagonalnego krzemu iv. określono przybliżone warunki mechanosyntezy krzemu w formie lonsdaleitu za pomocą uhv-spm.
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Redundantly Actuated 3RRR Parallel Planar Manipulator - Numerical Analyses of its Dynamics Sensitivity on Modifications of its Platform’s Inertia Parameters
PublikacjaIn the paper, numerical analyses, as well as dynamics of a complex mechanism, are presented. Two objectives are crucial for the paper: inverse dynamic model is needed (dedicated to be use in the model predictive controller); an identification method is searched (some trajectory parameters are controlled, when specific trajectory is tracked under an open-loop model-based control), as selected parameters must be identified for the...
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Experimental and Computational Fluid Dynamics Studies on Straight and U-Bend Double Tube Heat Exchangers with Active and Passive Enhancement Methods
PublikacjaIn this work, the authors wanted to demonstrate the possibility to increase the heat transfer efficiency by using simple wire coil inserts to create turbulent flow in the boundary layer as well as air blowing into the annulus of the pipe. Experimental investigations were carried out for four heat exchanger constructions, i.e., plain double tube, turbulized double tube, plain U-bend double tube, U-tube with turbulator, plain double...
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Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad—a common structural unit of G-quadruplex DNA
PublikacjaG-quadruplexes (G4) are nucleic acid conformations of guanine-rich sequences, in which guanines are arranged in the square-planar G-tetrads, stacked on one another. G4 motifs form in vivo and are implicated in regulation of such processes as gene expression and chromosome maintenance. The structure and stability of various G4 topologies were determined experimentally; however, the driving forces for their formation are not fully...
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublikacjaThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publikacjaabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
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Model studies to identify input parameters of an algorithm controlling electric supply/consumption process by underground iron ore enterprises
PublikacjaPurpose is the development of the research format of a mathematical model to select and assess input parameters of an algorithm controlling distribution of electric energy flows in the monitoring structure of electricity supply/ consumption by using equipment of mining enterprises engaged in underground iron ore raw materials extraction. Methods. The analytical research involved a theory of random processes adapted to the real...
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Dynamic electrochemical impedance spectroscopy of the adsorption and relaxation of polianiline chains during potentiodynamic redox transformations
PublikacjaZaprezentowano nowe podejście do analizy widm impedancyjnych uzyskanych dla warstwy przewodzącej polianiliny (PAni). Właściwości powyższej warstwy są często modelowane przy użyciu elementu stałofazowego (CPE), który w sposób dokładniejszy odzwierciedla wyniki eksperymentalne niż klasyczny element pojemnościowy (kondensator). W pracy zaproponowano nowy elektryczny obwód zastępczy oparty na modelu adsorpcyjnym Frumkin-Melik-Gaikazyan,...
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Selected Aspects of Testing the Positioning Accuracy of GNSS Receivers Used in Sports and Recreation by Dynamic Measurements
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Dynamic Study of Dual High-Power Impulse Magnetron Sputtering Discharge by Optical Emission Imaging
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Set membership estimation of parameters and variables in dynamic networks by recursive algorithms with moving measurment window
PublikacjaW artykule rozważana jest łączna estymacja przedziałowa zmiennych i parametrów w złożonej sieci dynamicznej w oparciu niepewne modele parametryczne i ograniczoną liczbę pomiarów. Opracowany został rekursywny algorytm estymacji z przesuwnym oknem pomiarowym, odpowiedni dla monitorowania sieci on-line. Okno pomiarowe pozwala na stabilizowanie klasycznego algorytmu rekurencyjnego estymacji i znacznie poprawienie obcisłości estymat....
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Intensification of bacterial cellulose production process with sequential electromagnetic field exposure aided by dynamic modelling
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Grid-Forming Operation of Energy-Router Based on Model Predictive Control with Improved Dynamic Performance
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Nonlinear dynamic analysis of the pure “buckling” mechanism during blow-out trauma of the human orbit
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Prediction of the structures of proteins with the UNRES force field, including dynamic formation and breaking of disulfide bonds
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Spectroscopic, molecular docking and molecular dynamic simulation studies on the complexes of β-lactoglobulin, safranal and oleuropein
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Dynamic electrochemical impedance spectroscopy of the adsorption and relaxation of polyaniline chains during potentiodynamic redox transformations
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Dynamic electrochemical impedance spectroscopy measurements of passive layer cracking under static tensile stresses
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BatchI: Batch effect Identification in high-throughput screening data using a dynamic programming algorithm
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FE-simulations of dynamic shear localization in granular bodies using an Arbitrary Lagrangian-Eulerian formulation.
PublikacjaW artykule przedstawiono wyniki symulacji lokalizacji odkształceń w materiałach granulowanych. Obliczenia wykonano przy zastosowaniu nielokalnego modelu hipoplastycznego dla 2 różnych problemów: sciskania dwuosiowego i przepływu silosowego. W obliczeniach wykorzystano sformułowanie ALE.
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An elasto-plastic constitutive model with non-local softening and viscosity to describe dynamic concrete behaviour.
PublikacjaW 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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Application of inserts for suppression of coupled dynamic-acoustic effects during confined granular flow in silos
PublikacjaArtykuł omawia sposoby redukcji efektów dynamiczno-akustycznych w silosach. Do redukcji zastosowano różne wkładki. Zbadano wpływ kształtu i liczby wkładek w doświadczeniach. Na podstawie wyników doświadczalnych opracowano metodę redukcji efektów dynamiczno-akustycznych w dużych stalowych silosach.
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Assessment of the Positioning Accuracy of DGPS and EGNOS Systems in the Bay of Gdansk using Maritime Dynamic Measurements
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Comparative analysis of positioning accuracy of GNSS receivers of Samsung Galaxy smartphones in marine dynamic measurements
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CONSTRUCTION TECHNOLOGY OF TIMBER-FRAME HOUSES RESISTANT TO DYNAMIC LOADS – STUDY ON MODELS OF EXTERIOR WALLS
PublikacjaThe aim of this paper is to show the numeric representation of experimental studies concerning the behaviour of exterior wall models of a timber-frame house under harmonic loading. A single wall model according to traditional technology of timberframe house walls (filling with mineral wool) was tested. The analysis was conducted for the following frequencies: 0.5 Hz, 1.0 Hz, 2.0 Hz and 5.0 Hz for various values of the specified...
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Data fusion of GPS sensors using Particle Kalman Filter for ship dynamic positioning system
PublikacjaDepending on standards and class, dynamically positioned ships make use of different numbers of redundant sensors to determine current ship position. The paper presents a multi-sensor data fusion algorithm for the dynamic positioning system which allows it to record the proper signal from a number of sensors (GPS receivers). In the research, the Particle Kalman Filter with data fusion was used to estimate the position of the vessel....
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Forced vibrations in a dynamic system that is damped by a mechanism that trans-pass through its singular position
PublikacjaIn the paper, vibrations of a hybrid multibody-continuous system are investigated. For all the mechanical devices, effective damping methods are crucial in the design process. To obtain it, installation of viscous dampers or elasto-viscous elements is dominant. In the paper, an alternative method is investigated. It is based on modal disparity. To describe the method briefly, when structural damping is present in continuous systems,...
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Steady-state characteristics and dynamic response of the PEM fuel cell to unit step change of load
PublikacjaPodano opis układu zasilania opartego na dwóch ogniwach paliwowych typu PEM o łącznej mocy 2.4 kW. Zaprezentowano wybrane charakterystyki statyczne i dynamiczne układu.
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Methodology of determination of geotechnical parameters for non-cohesive soils based on dynamic and static penetration tests
PublikacjaPrzedstawiono zakres, metodykę i wyniki sondowań dynamicznych i statycznych podłoży niespoistych dla dwóch dużych obiektów hydrotechnicznych: terminalu przeładunku zboża w Porcie Północnym w Gdańsku i planowanego kanału żeglugowego przez Mierzeję Wiślaną. Na podstawie obu rodzajów sondowań określono parametry geotechniczne badanych gruntów, przeanalizowano je i porównano ze sobą.
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Comparison of perforator location in dynamic and static thermographic imaging with Doppler ultrasound in breast reconstruction surgery
PublikacjaThis paper co mpares the effectiveness of the dTnorm and t90_10 parametrizations in dynamic thermography for imaging location of perforators in TRAM flaps in the intraoperative period. The results were compared with the location detected in a Doppler ultrasound examination. Cold and heat stimulation was used in dynamic thermography. Additionally, these results were compared with static...
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Timber-frame house resistant to dynamic loads - analysis of wall panel filled with polyurethane foam
PublikacjaThe present study shows the experimentally and numerically determined response of a single timber-frame house wall panel filled with polyurethane (PU) foam under dynamic loads. The harmonic tests were conducted for the following frequencies: 0.5 Hz, 1.0 Hz, 2.0 Hz and 5.0 Hz for various values of the specified displacement. Based on the results of the comparison between the experimental tests and the numerical analyses, the numerical...
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THE IDENTIFICATION OF TOXIC COMPOUND EMISSION SENSITIVITY AS A DIAGNOSTIC PARAMETER DURING DYNAMIC PROCESSES OF THE MARINE ENGINE
PublikacjaChanging some parameters of the engine structure alters the emission of harmful components in the exhaust gas. This applies in particular to the damage of charge exchange system as well as fuel system and engine supercharger. These changes are much greater during the dynamic states and their accompanying transitional processes. The different sensitivity of diagnostic parameters to the same force, coming from the engine structure,...
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Dynamic Data Management Among Multiple Databases for Optimization of Parallel Computations in Heterogeneous HPC Systems
PublikacjaRapid development of diverse computer architectures and hardware accelerators caused that designing parallel systems faces new problems resulting from their heterogeneity. Our implementation of a parallel system called KernelHive allows to efficiently run applications in a heterogeneous environment consisting of multiple collections of nodes with different types of computing devices. The execution engine of the system is open for...
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Extraction and evaluation of gas-flow-dependent features from dynamic measurements of gas sensors array
PublikacjaGas analyzers based on gas sensors are the devices which enable recognition of various kinds of volatile compounds. They have continuously been developed and investigated for over three decades, however there are still limitations which slow down the implementation of those devices in many applications. For example, the main drawbacks are the lack of selectivity, sensitivity...
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Numerical investigation on dynamic performance of a multi-storey steel structure model and comparison with experimental results
PublikacjaShaking table testing is the most commonly adopted method to simulate earthquake forces. This approach allows us to analyze the dynamic performance and provides a valuable insight into the dynamics of building structures, which helps to improve their future safety and reliability. The present study aims to conduct a numerical evaluation of dynamic response of a multi-storey steel structure model, which was previously examined during...
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How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1
PublikacjaTarget search as performed by DNA-binding proteins is a complex process, in which multiple factors contribute to both thermodynamic discrimination of the target sequence from overwhelmingly abundant off-target sites and kinetic acceleration of dynamic sequence interrogation. TRF1, the protein that binds to telomeric tandem repeats, faces an intriguing variant of the search problem where target sites are clustered within short fragments...
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Are the short cationic lipopeptides bacterial membrane disruptors? Structure-Activity Relationship and molecular dynamic evaluation
PublikacjaShort cationic lipopeptides are amphiphilic molecules that exhibit antimicrobial activity mainly against Grampositives. These compounds bind to bacterial membranes and disrupt their integrity. Here we examine the structure-activity relation (SAR) of lysine-based lipopeptides, with a prospect to rationally design more active compounds. The presented study aims to explain how antimicrobial activity of lipopeptides is affected by...