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Search results for: modeling train dynamics
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Numerical modelling of moored floating structures using SPH. Preliminary results
PublicationThis article presents partial results of the works carried out under the research project "The development of the methodof modeling the dynamics of the floating (offshore) objects subjected to the environment influence", which aims at developing computational methods for modeling the dynamics of offshore structures.The article contains the description of the method of modeling the hydrodynamic impacts using SPH method and the description...
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EARTHQUAKE ENGINEERING & STRUCTURAL DYNAMICS
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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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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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Band structure, Born effective charges, and lattice dynamics of CuInS2 from ab initio calculations
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Orientational Order and Dynamics of Nematic Multipodes Based on Carbosilazane Cores Using Optical and Dielectric Spectroscopy
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Study of Direct Methanol Fuel Cell Process Dynamics Using Dynamic Electrochemical Impedance Spectroscopy
PublicationA new technique, which was developed to characterize the direct methanol fuel cell under work conditions, has been presented in this paper. The impedance measurements were made using dynamic electrochemical impedance spectroscopy research technique in the galvanostatic mode, using multiple sinusoidal excitation. Obtained results show, that together with an increase of the temperature and working load, the global impedance...
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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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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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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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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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Effects of FSW Tool Plunge Depth on Properties of an Al-Mg-Si Alloy T-Joint: Thermomechanical Modeling and Experimental Evaluation
PublicationOne of the main challenging issues in friction stir welding (FSW) of stiffened structures is maximizing skin and flange mixing. Among the various parameters in FSW that can affect the quality of mixing between skin and flange is tool plunge depth (TPD). In this research, the effects of TPD during FSW of an Al-Mg-Si alloy T-joint are investigated. The computational fluid dynamics (CFD) method can help understand TPD effects on FSW...
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New insights into modeling two-step nitrification in activated sludge systems – The effects of initial biomass concentrations, comammox and heterotrophic activities
PublicationIn this study, the conventional two-step nitrification model was extended with complete ammonia oxidation (comammox) and heterotrophic denitrification on soluble microbial products. The data for model calibration/validation were collected at four long-term washout experiments when the solid retention time (SRT) and hydraulic retention time (HRT) were progressively reduced from 4 d to 1 d, with mixed liquor suspended solids (MLSS)...
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Application of different building representation techniques in HEC-RAS 2-D for urban flood modeling using the Toce River experimental case
PublicationThis paper presents the impact of the choice of building representation techniques and hydrodynamic models on urban flood simulations using HEC-RAS 2-D for the Toce River physical model. To this end, eight numerical models based on previous laboratory experiments were prepared to simulate unsteady urban flooding on each side of building units. Two simplified building layouts (aligned and staggered) were examined, where models were...
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CLIMATE DYNAMICS
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Modeling of medium flow processes in transportation pipelines - the synthesis of their state-space models and the analysis of the mathematical properties of the models for leak detection purposes
PublicationThe dissertation concerns the issue of modeling the pipeline flow process under incompressible and isothermal conditions, with a target application to the leak detection and isolation systems. First, an introduction to the model-based process diagnostics is provided, where its basic terminology, tools, and methods are described. In the following chapter, a review of the state of the art in the field of leak detection and isolation...
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Transformation of Energy Markets: Description, Modeling of Functioning Mechanisms and Determining Development Trends
PublicationOne of the key contemporary economic and social issues today is the global energy transition. Energy transition processes are having a significant impact on the development of world economies, increasing their TFP and leading to an increase in their level of innovation through the transfer of myriad new technologies. These processes also contribute to an increase in foreign direct investment and, consequently, an increase in the...
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MONTE CARLO MODELING OF OPTICAL SENSOR FOR POST-OPERATIVE FREE FLAP MONITORING
PublicationAfter a preliminary study of the currently employed methods in vitality monitoring of the tissue flaps (TRAM, DIEP, SIEA), a usefulness of optical techniques is discussed. It seems that one of the most promising in monitoring tissue flaps blood flow is a near infrared spectrometry (NIRS). However, a special design of a measurement sensor has to be developed. First, basing on the literature study an optical “window” is characterized....
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On dynamic modeling of piezomagnetic/flexomagnetic microstructures based on Lord–Shulman thermoelastic model
PublicationWe study a time-dependent thermoelastic coupling within free vibrations of piezomagnetic (PM) microbeams considering the flexomagnetic (FM) phenomenon. The flexomagneticity relates to a magnetic field with a gradient of strains. Here, we use the generalized thermoelasticity theory of Lord–Shulman to analyze the interaction between elastic deformation and thermal conductivity. The uniform magnetic field is permeated in line with...
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Experimental Study and Finite Element Modeling of Reinforced Concrete Column Having an Opening
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<title>Cavity control system essential modeling for the TESLA linear accelerator</title>
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TESLA cavity modeling and digital implementation in FPGA technology for control system development
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Modeling the risk of ship grounding—a literature review from a risk management perspective
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Modeling saturation of main magnetic circuit of cage induction motors in presence of eccentricity
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Modeling of Composite Shells in 6-Parameter Nonlinear Theory with Drilling Degree of Freedom
PublicationWithin the framework of a 6-parameter nonlinear shell theory, with strain measures of Cosserat type, constitutive relations are proposed for thin elastic composite shells. The material law is expressed in terms of five engineering constants of classical anisotropic continuum plus an additional parameter accounting for drilling stiffness. The theory allows for unlimited displacements and rotations. A number of examples are presented...
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Modeling the effect of parasitic capacitances on the dead-time distortion in multilevel NPC inverters
PublicationA simple model is derived and verified for evaluating the effect of parasitic capacitances on the dead-time related voltage distortion in multilevel NPC voltage source inverters. The model permits well-defined and precise compensation of dead-time distortion, exhibiting meaningful improvement on compensation methods neglecting the effects of parasitic capacitances. A simple formula is given for evaluating the capacitances as serial/parallel...
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Time Domain Modeling of Propeller Forces due to Ventilation in Static and Dynamic Conditions
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Modeling of selected transducer designs for optical pressure sensors using polarization interferometry
PublicationW artykule przedstawiono wyniki modelowania metodą Elementów Skończonych wybranych konstrukcji membran do zastosowań w interferometrycznych czujnikach ciśnienia. Omówiono zależność prametrów membran od kształtu membrany, jej wymiarów i zastosowanego materiału. Zakres odkształcen badanych membran jest niezbyt duży, co może pogarszać dokładność pomiaru czujników ciśnienia, w których będą one stosowane Omówiono kierunki dalszych...
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3D Modeling of Discontinuity in the Spatial Distribution of Apartment Prices Using Voronoi Diagrams
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Identification and molecular modeling of a novel lipase from an Antarctic soil metagenomic library.
PublicationIn this work, we present the construction of a metagenomic library in Escherichia coli using pUC19 vector and environmental DNA directly isolated from Antarctic topsoil and screened for lipolytic enzymes. The screening on agar supplemented with olive oil and rhodamine B revealed one clone with lipolytic activity (Lip1) out of 11,000 E. coli clones. This clone harbored a plasmid, pLip1, which has an insert of 4722 bp that has been...
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Assessment of the Reliability of Wind Farm Device on the Basis of Modeling Its Operation Process
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<title>Modeling of noncontact temperature measurement system using multiwavelength pyrometry</title>
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Modeling of Imaging Mass Spectrometry Data and Testing by Permutation for Biomarkers Discovery in Tissues
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Signal Partitioning Algorithm for Highly Efficient Gaussian Mixture Modeling in Mass Spectrometry
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Modeling of subarachnoid space width change caused by blood circulation in brain vessels
PublicationThe subarachnoid space is an anatomic space, lying in the central nervous system, between the arachnoid membrane and the pia mater. It is filled with cerebrospinal fluid, which protects and nourishes the brain. The pathological disorder of the subarachnoid space (i.e. increase or decrease of its width) a ects the nervous system. Therefore, it is important to diagnose the width changes of the subarachnoid space. One way to support...
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Modeling of pharmaceuticals mixtures toxicity with deviation ratio and best-fit functions models
PublicationThe present study deals with assessment of ecotoxicological parameters of 9 drugs (diclofenac (sodium salt), oxytetracycline hydrochloride, fluoxetine hydrochloride, chloramphenicol, ketoprofen, progesterone, estrone, androstenedione and gemfibrozil), present in the environmental compartments at specific concentration levels, and theirmutual combinations by couples against Microtox® and XenoScreen YES/YAS® bioassays. As the quantitative...
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Category-Based Workload Modeling for Hardware Load Prediction in Heterogeneous IaaS Cloud
PublicationThe paper presents a method of hardware load prediction using workload models based on application categories and high-level characteristics. Application of the method to the problem of optimization of virtual machine scheduling in a heterogeneous Infrastructure as a Service (IaaS) computing cloud is described.
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Expedited Geometry Scaling of Compact Microwave Passives by Means of Inverse Surrogate Modeling
PublicationIn this paper, the problem of geometry scaling of compact microwave structures is investigated. As opposed to conventional structures (i.e., constructed using uniform transmission lines), re-design of miniaturized circuits (e.g., implemented with artificial transmission lines, ATSs) for different operating frequencies is far from being straightforward due to considerable cross-couplings between the circuit components. Here, we...
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New method of fractional order integrator analog modeling for orders 0.5 and 0.25
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Modeling of TiO2-Based Electron-Selective Contacts for Crystalline Silicon Solar Cells
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KOLMOGOROV EQUATION SOLUTION: MULTIPLE SCATTERING EXPANSION AND PHOTON STATISTICS EVOLUTION MODELING
PublicationWe consider a formulation of the Cauchy problem for the Kolmogorov equation which corresponds to a localized source of particles to be scattered by a medium with a given scattering amplitude density. The multiple scattering amplitudes are introduced and the corresponding series solution of the equation is constructed. We investigate the integral representation for the first series terms, its estimations and values of the photon...
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Attempt to modeling with FEM of the impact of initial oval shape of tube into creep process.
PublicationOpisano zasady modelowania metodą elementów skończonych zjawiska pełzania dla elementów typu rura oraz pokazano wynik próby modelowania za pomocą MES wpływu początkowej owalności rury na proces pełzania.
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Wybrane problemy modelowania obiektów technicznych : Chosen problems in the modeling of technical objects
PublicationBudowa modeli obiektów technicznych połączona z identyfikacją przyjętych wstępnie parametrów oraz diagnostyką weryfikacyjną porównującą obiekt z modelem w celu sprawdzenia rzeczywistych przedziałów wartości istotnych właściwości obiektu, jest cyklicznym procesem udoskonalającym zarówno model, jak również kolejne wersje obiektu rzeczywistego. Wirtualne programy w pamięciach komputerowych pozwalają projektantom na sprawdzenie swojego...
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Modeling of a rock fall using the discrete element method and study of the seismic signal
PublicationW artykule przedstawiono opis fal sejsmicznych, zastosowanie dyskretnej metody elementów do opisu obrywu skalnego, opis programów obliczeniowych oraz obliczenia numeryczne wg. podanych programów obliczeniowych.
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Interaction of amphotericin B and its selected derivatives with membranes: molecular modeling studies
PublicationJest to praca przeglądowa obejmująca krytyczną analizę danych dotyczących oddziaływania amfoterycyny B (AmB) i jej wybranych, mniej toksycznych pochodnych, z błonami lipidowymi. Amfoterycyna B jest antybiotykiem przeciwgrzybowym ale ze względu na jej toksyczność trwają prace nad modyfikacjami chemicznymi tego związku. Celem molekularnym dla tego antybiotyku jest błona lipidowa i dlatego różnicowe powinowactwo AmB i jej pochodnych...
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Modeling of a rock fall using the discrete element method and study of the seismic signal
PublicationMechanizm dużego spadającego bloku skalnego lub lawiny pozostaje nadal słabo rozpoznany zarówno w zakresie pęknięć jak i procesów propagacji. Jedynie ilościowe dane, które aktualnie są mierzone i uchwytne podczas spadania skały, zarejestrowane są jako sejsmiczne sygnały przez szereg sejsmografów. Właściwości sygnału (amplituda, trwanie, częstotliwość) są wyraźnie powiązane z cechami spadania (masa, wysokość spadania, odległość...
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Approaches to experiment based friction modeling: polynomial approximation versus ann approximation
PublicationBadano warunki (poziom wymuszeń), przy których następowało wzbudzenie drgań mechanicznych przy tarciu ślizgowym konforemnego skojarzenia próbek wykonanych z Al2O3 (płaskie czoło tulei obracającej się względem swojej osi - powierzchnia płaska). Uzyskane dane eksperymentalne wykorzystano następnie do zbudowania modeli - stosując aproksymację wielomianami albo sztuczną siecią neuronową (ANN).
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Modeling of hazards, consequences and risk for safety assessment of ships in damaged conditions in operation
PublicationPraca dotyczy problematyki związanej z modelowaniem zagrożeń, konsekwencji i ryzyka, w metodzie oceny bezpieczeństwa statków w stanie uszkodzonym. Metoda oparta jest na podejściu zorientowanym na ocenę zachowania się statku i ocenę ryzyka wypadku. Kolejne moduły metody dotyczą identyfikacji zagrożeń i scenariuszy wypadków oraz oceny i kontroli ryzyka. Ocenę ryzyka można przeprowadzić przy zastosowaniu elementów metodyki Przypadku...