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Wyniki wyszukiwania dla: APPROXIMATION
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Two-particle entropy and structural ordering in liquid water
PublikacjaEntropies of simple point charge (SPC) water were calculated over the temperature range 278-363 K using the two-particle correlation function approximation. Then, the total two-particle contribution to the entropy of the system was divided into three parts, which we call translational, configurational, and orientational. The configurational term describes the contribution to entropy, which originates from spatial distribution of...
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Multi-Fidelity Local Surrogate Model for Computationally Efficient Microwave Component Design Optimization
PublikacjaIn order to minimize the number of evaluations of high-fidelity (“fine”) model in the optimization process, to increase the optimization speed, and to improve optimal solution accuracy, a robust and computational-efficient multi-fidelity local surrogate-model optimization method is proposed. Based on the principle of response surface approximation, the proposed method exploits the multi-fidelity coarse models and polynomial interpolation...
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Dissociative ionization dynamics of dielectric gas C3F7CN
PublikacjaFluoronitrile C3F7CN is a promising candidate for the replacement of SF6 dielectric gas in high-voltage insulation. We present a combined experimental and theoretical study on its ionization dynamics probed in the 0-100 eV energy range. We exploited the total ion collection technique to determine the absolute ionization cross section, mass spectrometry to determine the fragment branching ratios and ab initio nonadiabatic molecular...
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Model-based testing for execution algorithms in the simulation of cyber-physical systems
PublikacjaThe understanding of simulation semantics of a hybrid system is a challenge for computational engineers as it requires expertise in computer science, engineering, numerical methods, and mathematics at once. The testing methods for the execution of a simulation are being researched but not yet applied on the industrial level. Consequently, the semantics of the simulation becomes a critical artifact in the system development process....
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Low-Cost Multi-Objective Optimization Yagi-Uda Antenna in Multi-Dimensional Parameter Space
PublikacjaA surrogate-based technique for fast multi-objective optimization of a multi-parameter planar Yagi-Uda antenna structure is presented. The proposed method utilizes response surface approximation (RSA) models constructed using training samples obtained from evaluation of the low-fidelity antenna model. Utilization of the RSA models allowsfor fast determination of the best possible trade-offs between conflicting objectives in multi-objective...
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Efficient Multi-Fidelity Design Optimization of Microwave Filters Using Adjoint Sensitivity
PublikacjaA simple and robust algorithm for computationally efficient design optimiza-tion of microwave filters is presented. Our approach exploits a trust-region (TR)-based algorithm that utilizes linear approximation of the filter response obtained using adjoint sensitivity. The algorithm is sequentially executed on a family of electromagnetic (EM)-simulated models of different fidelities, starting from a coarse-discretization one, and...
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Video Semantic Analysis Framework based on Run-time Production Rules - Towards Cognitive Vision
PublikacjaThis paper proposes a service-oriented architecture for video analysis which separates object detection from event recognition. Our aim is to introduce new tools to be considered in the pathway towards Cognitive Vision as a support for classical Computer Vision techniques that have been broadly used by the scientific community. In the article, we particularly focus in solving some of the reported scalability issues found in current...
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A Review: Applications of the Spectral Finite Element Method
PublikacjaThe Spectral Finite Element Technique (SFEM) has Several Applications in the Sciences, Engineering, and Mathematics, which will be Covered in this Review Article. The Spectral Finite Element Method (SFEM) is a Variant of the Traditional Finite Element Method FEM that Makes use of Higher Order Basis Functions (FEM). One of the most Fundamental Numerical Techniques Employed in the Numerical Simulation is the SFEM, which Outperforms...
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Truss imperfections in the design of bar and diaphragm bracing systems
PublikacjaIn the article three variants of roof bracing were considered: bar bracing, diaphragm bracing and the combination of bar and diaphragm bracing. Different analytical and numerical ways of taking into account the imperfections of the truss girder were compared. The entire 3D model of the roof (shell and beam elements with the eccentricities taken into account) was analysed numerically. Selected stressed-skin aspects were considered....
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A highly-efficient technique for evaluating bond-orientational order parameters
PublikacjaWe propose a novel, highly-efficient approach for the evaluation of bond-orientational order parameters (BOPs). Our approach exploits the properties of spherical harmonics and Wigner 3jj-symbols to reduce the number of terms in the expressions for BOPs, and employs simultaneous interpolation of normalised associated Legendre polynomials and trigonometric functions to dramatically reduce the total number of arithmetic operations....
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Noise sources in Raman spectroscopy of biological objects
PublikacjaWe present an overview of noise sources deteriorating the quality of the recorded biological Raman spectra and the ability to determine the specimen composition. The acquired Raman spectra exhibit intense additive noise components or drifts because of low intensity of the scattered light. Therefore we have to apply expensive or bulky measurement setups to limit their inherent noise or to apply additional signal processing to reduce...
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Comparison of simplified sum-over-state expressions to calculate resonance Raman intensities including Franck-Condon and Herzberg-Teller effects
PublikacjaSum-over-state (SOS) expressions to simulate absorption spectroscopy and resonance Raman (RR) scattering including Franck-Condon (FC) and Herzberg-Teller (HT) effects are described. Starting from the general SOS method, several simplified SOS formulae are derived. In particular, within the so-called independent mode displaced harmonic oscillator model, it is shown that including the vibronic structure in the absorption and RR spectra...
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Application of the Monte Carlo algorithm for solving volume integral equation in light scattering simulations
PublikacjaVarious numerical methods were proposed for analysis of the light scattering phenomenon. Important group of these methods is based on solving the volume integral equation describing the light scattering process. The popular method from this group is the discrete dipole approximation (DDA). DDA uses various numerical algorithms to solve the discretized integral equation. In the recent years, the application of the Monte Carlo (MC)...
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Numerical Solution of the Two-Dimensional Richards Equation Using Alternate Splitting Methods for Dimensional Decomposition
PublikacjaResearch on seepage flow in the vadose zone has largely been driven by engineering and environmental problems affecting many fields of geotechnics, hydrology, and agricultural science. Mathematical modeling of the subsurface flow under unsaturated conditions is an essential part of water resource management and planning. In order to determine such subsurface flow, the two-dimensional (2D) Richards equation can be used. However,...
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Neural Network-Based Sequential Global Sensitivity Analysis Algorithm
PublikacjaPerforming global sensitivity analysis (GSA) can be challenging due to the combined effect of the high computational cost, but it is also essential for engineering decision making. To reduce this cost, surrogate modeling such as neural networks (NNs) are used to replace the expensive simulation model in the GSA process, which introduces the additional challenge of finding the minimum number of training data samples required to...
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Thermal visualization of Ostwald-de Waele liquid in wavy trapezoidal cavity: Effect of undulation and amplitude
PublikacjaThe present study is concerned with the numerical simulations of Ostwald-de Waele fluid flow in a wavy trapezoidal cavity in the presence of a heated cylinder situated at the center of the cavity. The work consists in characterizing the mixed convection as a function of the intensity of heat flow. The flow behaviour and temperature distribution in a cavity are the main focus of this study. The lower wall of the cavity is fixed...
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Zero-Pole Approach in Microwave Passive Circuit Design
PublikacjaIn this thesis, optimization strategies for design of microwave passive structures including filters, couplers, antenna and impedance transformer and construction of various surroogate models utilized to fasten the design proces have been discussed. Direct and hybrid optimization methodologies including space mapping and multilevel algorithms combined with various surrogate models at different levels of fidelity have been utilized...
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Electronic structure of TbBa2Cu3O7
PublikacjaW pracy wykonano obliczenia kwantowomechaniczne struktury elektronowej hipotetycznego materiału TbBa2Cu3O7 (Dy123) metodą FP-LAPW (full potential - linearized augmented plane wave) w ramach formalizmu DFT (density functional theory) stosując przybliżenie GGA (generalized gradient approximation). Ze względu na silne oddziaływania korelacyjne elektronów 4f w atomie Tb zastosowano dodatkowo poprawkę kulombowską U w ramach modelu...
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Micelle formation of Tween 20 nonionic surfactant in imidazolium ionic liquids
PublikacjaAggregation behavior of polyoxyethylene (POE)-type nonionic surfactant Tween 20 in imidazolium ionic liquids with varying chain length and different anions, such as tetrafluoroborate, hexafluorophosphate, bis(trifluoromethanesulfonyl)imide, and trifluoromethanesulfonate, was investigated by means of surface tension, conductivity and dynamic light scattering measurements. The role of the chain length, anion size as well as interactions...
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Numerical and quantitative analysis of HIV/AIDS model with modified Atangana-Baleanu in Caputo sense derivative
PublikacjaFractional calculus plays an important role in the development of control strategies, the study of the dynamical transmission of diseases, and some other real-life problems nowadays. The time-fractional HIV/AIDS model is examined using a novel method in this paper. Based on the Atangana-concept Baleanu’s of a derivative in the Caputo sense, the current modified fractional derivative operator uses singular and non-local kernels....
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Analytical Steady-State Model of the Pipeline Flow Process
PublikacjaThe paper addresses the issue of modeling the flow process in transmission pipelines. A base model used for numerical simulation is introduced. Under certain assumptions concerning steady state analysis, the differential equations describing the process are solved analytically for two cases: zero and nonzero inclination angle α. These equations describe a constant flow rate and a corresponding distribution of the pressure along...
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Multi-fidelity EM simulations and constrained surrogate modelling for low-cost multi-objective design optimisation of antennas
PublikacjaIn this study, a technique for low-cost multi-objective design optimisation of antenna structures has been proposed. The proposed approach is an enhancement of a recently reported surrogate-assisted technique exploiting variable-fidelity electromagnetic (EM) simulations and auxiliary kriging interpolation surrogate, the latter utilised to produce the initial approximation of the Pareto set. A bottleneck of the procedure for higher-dimensional...
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Evaluation of Body Surface Area Formulae Based on 3D Body Scans
PublikacjaHuman body surface area (BSA) is an established parameter for the calculation of chemotherapy drugs dosage, treatment of chronic hepatitis B, treatment of burns or for establishing a dosing regimen for antimicrobials. Although being a critical parameter, usage of modern 3D scanners, which would measure the exact BSA value, is often impossible in time-sensitive operations or for patients unable to withstand the scanning process....
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Enhanced photocatalytic properties of lanthanide-TiO2 nanotubes: An experimental and theoretical study
PublikacjaA series of Er-, Yb-, Ho-, Tb-, Gd-, Pr-TiO2 nanotubes (RE-NTs) was prepared via an electrochemical method. The as-prepared photocatalysts were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), UV–vis absorption, scanning electron microscopy (SEM) and luminescent spectroscopy. The experiments demonstrated that toluene in the gas phase was successfully degraded under visible light (LEDs λmax = 465...
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Water-mediated influence of a crowded environment on internal vibrations of a protein molecule
PublikacjaThe influence of crowding on the protein inner dynamics is examined by putting a single protein molecule close to one or two neighboring protein molecules. The presence of additional molecules influences the amplitudes of protein fluctuations. Also, a weak dynamical coupling of collective velocities of surface atoms of proteins separated by a layer of water is detected. The possible mechanisms of these phenomena are described....
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Fast tolerance-aware design optimization of miniaturized microstrip couplers using variable-fidelity EM simulations and re-sponse features
PublikacjaManufacturing tolerances and other types of uncertainties may considerably affect operation and performance of microwave components and systems. Quantification of these effects is therefore an important part of the design process. It is even more important to obtain designs whose sensitivity to parameter deviations is reduced as much as possible. All of these require statistical analysis carried out at the level of electromagnetic...
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Uncertainty quantification of modal parameter estimates obtained from subspace identification: An experimental validation on a laboratory test of a large-scale wind turbine blade
PublikacjaThe uncertainty afflicting modal parameter estimates stems from e.g., the finite data length, unknown, or partly measured inputs and the choice of the identification algorithm. Quantification of the related errors with the statistical Delta method is a recent tool, useful in many modern modal analysis applications e.g., damage diagnosis, reliability analysis, model calibration. In this paper, the Delta method-based uncertainty...
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Joint experimental and theoretical study on low-energy elastic electron scattering by gaseous alkynes: Differential cross sections, shape resonances, and methylation effects
PublikacjaA detailed comparison of experimental and theoretical elastic cross sections for low-energy electron scattering by ethyne, taken earlier in our group by Gauf et al. [Phys. Rev. A 87, 012710 (2013)], and some of its methylated derivatives, propyne, and the isomers 1-butyne and 2-butyne, taken here, are presented. The present differential cross sections were measured at incident electron energies ranging from 1 eV to 30 eV and...
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Study of Slip Effects in Reverse Roll Coating Process Using Non-Isothermal Couple Stress Fluid
PublikacjaThe non-isothermal couple stress fluid inside a reverse roll coating geometry is considered. The slip condition is considered at the surfaces of the rolls. To develop the flow equations, the mathematical modelling is performed using conservation of momentum, mass, and energy. The LAT (lubrication approximation theory) is employed to simplify the equations. The closed form solution for velocity, temperature, and pressure gradient...
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Detection and Model of Thermal Traces Left after Aggressive Behavior of Laboratory Rodents
PublikacjaAutomation of complex social behavior analysis of experimental animals would allow for faster, more accurate and reliable research results in many biological, pharmacological, and medical fields. However, there are behaviors that are not only difficult to detect for the computer, but also for the human observer. Here, we present an analysis of the method for identifying aggressive behavior in thermal images by detecting traces...
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Spectrum Sensing Based on Hybrid Spectrum Handoff in Cognitive Radio Networks
PublikacjaThe rapid advancement of wireless communication combined with insufficient spectrum exploitation opens the door for the expansion of novel wireless services. Cognitive radio network (CRN) technology makes it possible to periodically access the open spectrum bands, which in turn improves the effectiveness of CRNs. Spectrum sensing (SS), which allows unauthorized users to locate open spectrum bands, plays a fundamental part in CRNs....
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Domain segmentation for low-cost surrogate-assisted multi-objective design optimisation of antennas
PublikacjaAbstract: Information regarding the best possible design trade-offs of an antenna structure can be obtained through multiobjective optimisation (MO). Unfortunately, MO is extremely challenging if full-wave electromagnetic (EM) simulation models are used for performance evaluation. Yet, for the majority of contemporary antennas, EM analysis is the only tool that ensures reliability. This study introduces a procedure for accelerated...
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Recent advances in rapid multiobjective optimization of expensive simulation models in microwave and antenna engineering by Pareto front exploration
PublikacjaPractical engineering design problems are inherently multiobjective, that is, require simultaneous control of several (and often conflicting) criteria. In many situations, genuine multiobjective optimization is required to acquire comprehensive information about the system of interest. The most popular solution techniques are populationbased metaheuristics, however, they are not practical for handling expensive electromagnetic...
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Accelerated multi-objective design optimization of antennas by surrogate modeling and domain segmentation
PublikacjaMulti-objective optimization yields indispensable information about the best possible design trade-offs of an antenna structure, yet it is challenging if full-wave electromagnetic (EM) analysis is utilized for performance evaluation. The latter is a necessity for majority of contemporary antennas as it is the only way of achieving acceptable modeling accuracy. In this paper, a procedure for accelerated multi-objective design of...
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Coherent-wave Monte Carlo method for simulating light propagation in tissue
PublikacjaSimulating propagation and scattering of coherent light in turbid media, such as biological tissues, is a complex problem. Numerical methods for solving Helmholtz or wave equation (e.g. finite-difference or finite-element methods) require large amount of computer memory and long computation time. This makes them impractical for simulating laser beam propagation into deep layers of tissue. Other group of methods, based on radiative...
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Expedited Simulation-Driven Multi-Objective Design Optimization of Quasi-Isotropic Dielectric Resonator Antenna
PublikacjaMajority of practical engineering design problems require simultaneous handling of several criteria. Although many of design tasks can be turned into single-objective problems using sufficient formulations, in some situations, acquiring comprehensive knowledge about possible trade-offs between conflicting objectives may be necessary. This calls for multi-objective optimization that aims at identifying a set of alternative, Pareto-optimal...
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Bandwidth-size design trade-offs for compact spline-parameterised patch couplers by means of electromagnetic-driven multi-objective optimisation
PublikacjaBroad bandwidth and small size are the key performance figures for contemporary microwave couplers. These requirements are conflicting, i.e. improvement of one generally leads to degradation of the other assuming fixed topology of the circuit at hand. From a designer's perspective, the knowledge about available design trade-offs is indispensable as it permits for tailoring the circuit for particular applications as well as comparing...
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Analysis of circular polarization antenna design trade‐offs using low‐cost EM‐driven multiobjective optimization
PublikacjaCircular polarization (CP) antennas are vital components of modern communication systems. Their design involves handling several requirements such as low reflection and axial ratio (AR) within the frequency range of interest. Small size is an important criterion for antenna mobility which is normally achieved as a by‐product of performance‐oriented modifications of the structure topology. In this work, multiobjective optimization...
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Artificial Thermal Ageing of Polyester Reinforced and Polyvinyl Chloride Coated Technical Fabric
PublikacjaArchitectural fabric AF9032 has been subjected to artificial thermal ageing to determine changes of the material parameters of the fabric. The proposed method is based on the accelerated ageing approach proposed by Arrhenius. 300 mm x 50 mm samples were cut in the warp and fill directions and placed in a thermal chamber at 80 °C for up to 12 weeks or at 90 °C for up to 6 weeks. Then after one week of conditioning at ambient temperature,...
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublikacjaThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
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Some Aspects of Shear Behavior of Soft Soil–Concrete Interfaces and Its Consequences in Pile Shaft Friction Modeling
PublikacjaThis paper examines the stiffness degradation and interface failure load on soft soil–concrete interface. The friction behavior and its variability is investigated. The direct shear tests under constant normal load were used to establish parameters to hyperbolic interface model which provided a good approximation of the data from instrumented piles. Four instrumented piles were used to obtain reference soil–concrete interface behavior....
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Scheduling with Complete Multipartite Incompatibility Graph on Parallel Machines
PublikacjaIn this paper we consider a problem of job scheduling on parallel machines with a presence of incompatibilities between jobs. The incompatibility relation can be modeled as a complete multipartite graph in which each edge denotes a pair of jobs that cannot be scheduled on the same machine. Our research stems from the works of Bodlaender, Jansen, and Woeginger (1994) and Bodlaender and Jansen (1993). In particular, we pursue the...
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Analysis of Floodplain Inundation Using 2D Nonlinear Diffusive Wave Equation Solved with Splitting Technique
PublikacjaIn the paper a solution of two-dimensional (2D) nonlinear diffusive wave equation in a partially dry and wet domain is considered. The splitting technique which allows to reduce 2D problem into the sequence of one-dimensional (1D) problems is applied. The obtained 1D equations with regard to x and y are spatially discretized using the modified finite element method with the linear shape functions. The applied modification referring...
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Electronic structure and charge distribution in DyBa2Cu3O7: The ab initio approach
PublikacjaW pracy wykonano obliczenia kwantowomechaniczne struktury elektronowej nadprzewodzącego materiału DyBa2Cu3O7 (Dy123) metodą FP-LAPW (full potential - linearized augmented plane wave) w ramach formalizmu DFT (density functional theory) stosując przybliżenie GGA (generalized gradient approximation). Ze względu na silne oddziaływania korelacyjne elektronów 4f w atomie Dy zastosowano dodatkowo poprawkę kulombowską U w ramach modelu...
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Computationally Efficient Multi-Objective Optimization of and Experimental Validation of Yagi-Uda Antenna
PublikacjaIn this paper, computationally efficient multi-objective optimization of antenna structures is discussed. As a design case, we consider a multi-parameter planar Yagi-Uda antenna structure, featuring a driven element, three directors, and a feeding structure. Direct optimization of the high-fidelity electromagnetic (EM) antenna model is prohibitive in computational terms. Instead, our design methodology exploits response surface...
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Wpływ wybranych właściwości maszyny badawczej na wynik eksperymentu tribologicznego z tarciem ślizgowym
PublikacjaNiniejsza monografia stanowi podsumowanie przekrojowych badań związanych z wpływem właściwości stanowiska badawczego (tribometru) na przebieg i rejestrowane wyniki eksperymentu tribologicznego z tarciem ślizgowym ciał stałych smarowanych cieczą w warunkach tarcia bez efektów smarowania hydrodynamicznego. Autor przedstawia wyniki kompleksowych analiz właściwości dynamicznych stanowiska badawczego w kontekście efektów obserwowanych...
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The Experimental Determination of Bearings Dynamic Coefficients in a Wide Range of Rotational Speeds, Taking into Account the Resonance and Hydrodynamic Instability
PublikacjaMethods for the experimental determination of dynamic coefficients are commonly used for the analysis of various types of bearings, including hydrodynamic, aerodynamic and foil bearings. There are currently several algorithms that allow estimating bearing dynamic coefficients. Such algorithms usually use various excitation techniques applied to rotor–bearings systems. So far only a small number of scientific publications show how...
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Cross-sections for electron-scattering from 2-methyl-1-buten-3-yne, C 5 H 6 , molecules
PublikacjatCross-sections for electron collisions with the 2-methyl-1-buten-3-yne [H2C C(CH3)C CH] moleculewere measured and calculated. Absolute grand-total electron-scattering cross-section (TCS) was takenat impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The TCS energydependence for the electron–C5H6collision has two prominent enhancements separated with a deepminimum located near 1.8 eV. In addition,...
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The experimental identification of the dynamic coefficients of two hydrodynamic journal bearings operating at constant rotational speed and under nonlinear conditions.
PublikacjaHydrodynamic bearings are commonly used in ship propulsion systems. Typically, they are calculated using numerical or experimental methods. This paper presents an experimental study through which it has been possible to estimate 24 dynamic coefficients of two hydrodynamic slide bearings operating under nonlinear conditions. During the investigation, bearing mass coefficients are identified by means of a newly developed algorithm....
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Accelerated multi-objective design of miniaturized microwave components by means of nested kriging surrogates
PublikacjaDesign of microwave components is an inherently multiobjective task. Often, the objectives are at least partially conflicting and the designer has to work out a suitable compromise. In practice, generating the best possible trade‐off designs requires multiobjective optimization, which is a computationally demanding task. If the structure of interest is evaluated through full‐wave electromagnetic (EM) analysis, the employment of...