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Search results for: VARIABLE-RESOLUTION SIMULATIONS
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Experimental tests and numerical simulations of full scale composite sandwich segment of a foot- and cycle- bridge
PublicationIn the paper experimental tests and numerical simulations of a full cross-section segment of ultimately designed foot-and cycle-bridge are presented. The experimental tests were conducted on element with length reduced to 3 m and unchanged (target) cross-section dimensions. The external skin of structure is GFRP laminate while internal core is PET foam. Several quasi-static tests were performed using hydraulic cylinder to generate...
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublicationN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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Interpretation and modeling of emotions in the management of autonomous robots using a control paradigm based on a scheduling variable
PublicationThe paper presents a technical introduction to psychological theories of emotions. It highlights a usable ideaimplemented in a number of recently developed computational systems of emotions, and the hypothesis thatemotion can play the role of a scheduling variable in controlling autonomous robots. In the main part ofthis study, we outline our own computational system of emotion – xEmotion – designed as a key structuralelement in...
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Simulations CAE of wood pellet machine
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Measurements and Simulations of Engineered Ultrasound Loudspeakers
PublicationSimulation and measurement results of the sound emitted from an ultrasound custom-made system with high spatial directivity are presented. The proposed system is using modulated ultrasound waves which demodulate in nonlinear medium resulting in audible sound. The system is aimed at enhancing the users’ personal audio space, therefore the measurements are performed using the Head and Torso Simulator which provides realistic reproduction...
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FE simulations of a soil structure interface.
PublicationPrzedstawiono warunki brzegowe do opisu szorstkości ściany konstrukcji w kontakcie z gruntem. Wykonano doświadczenia i symulacje MES na bazie mikropolarnego prawa hipoplastycznego.
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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublicationWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
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FDTD Simulations on Disjoint Domains with the Use of Discrete Green's Function Diakoptics
PublicationA discrete Green's function (DGF) approach to couple disjoint domains in the finite-difference time-domain (FDTD) grid is developed. In this method, total-field/scattered-field (TFSF) FDTD domains are associated with simulated objects whereas the interaction between them is modeled with the use of the DGF propagator. Hence, source and scatterer are simulated in separate domains and updating of vacuum cells, being of little interest,...
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The Smith-Watson-Topper parameter and fracture surface topography relationship for additively manufactured 18Ni300 steel subjected to uniaxial variable-amplitude loading
PublicationIn this paper, the association between Smith-Watson-Topper (SWT) parameter and fracture surface topography is studied in additively manufactured maraging steel exposed to variable-amplitude fatigue loading. The post-failure fracture surfaces were examined using a non-contact 3D surface topography measuring system and the entire fracture surface method. The focal point is on the correspondence between fatigue characteristics, articulate...
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Speed estimation of a car at impact with a W-beam guardrail using numerical simulations and machine learning
PublicationThis paper aimed at developing a new method of estimating the impact speed of a passenger car at the moment of a crash into a W-beam road safety barrier. The determination of such a speed based on the accident outcomes is demanding, because often there is no access to full accident data. However, accurate determination of the impact speed is one of the key elements in the reconstruction of road accidents. A machine learning algorithm...
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SIMULATIONS OF FRACTURE IN CONCRETE BEAMS UNDER BENDING USING A CONTINUUM AND DISCRETE APPROACH
PublicationThe paper describes two-dimensional meso-scale results of fracture in notched concrete beams under bending. Concrete was modelled as a random heterogeneous 4-phase material composed of aggregate particles, cement matrix, interfacial transitional zones and air voids. Within continuum mechanics, the simulations were carried out with the finite element method based on a isotropic damage constitutive model enhanced by a characteristic...
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Machine Learning Algorithm-Based Tool and Digital Framework for Substituting Daylight Simulations In Early- Stage Architectural Design Evaluation
PublicationThe aim of this paper is to examine the new method of obtaining the simulation-based results using backpropagation of errors artificial neural networks. The primary motivation to conduct the research was to determine an alternative, more efficient and less timeconsuming method which would serve to achieve the results of daylight simulations. Three daylight metrics: Daylight Factor, Daylight Autonomy and Daylight Glare Probability have...
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublicationIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which leads to one equation similar to the Euler beam theory and also is free of any shear correction factor. The equilibrium equation has been...
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Static Load Test on Instrumented Pile – Field Data and Numerical Simulations
PublicationFor some time (since 8-10 years in Poland) a special static load tests on instrumented piles are carried out. Such studies are usually of a scientific nature and provide detailed quantitative data on the load transfer into the ground and characteristics of particular soil layers interaction with a pile shaft and pile base. Deep knowledge about the pile-subsoil interaction can be applied for a various design purposes, e.g. numerical...
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Schemes of transmission of classical information via quantum channels with many senders: Discrete- and continuous-variable cases
PublicationSuperadditivity effects in the classical capacity of discrete multiaccess channels and continuous variable (CV) Gaussian MACs are analyzed. Several examples of the manifestation of superadditivity in the discrete case are provided, including, in particular, a channel which is fully symmetric with respect to all senders. Furthermore, we consider a class of channels for which input entanglement across more than two copies of the...
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Arterial hypertension as a factor in the choice of conflict resolution strategies by the older persons
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Ultrahigh-resolution detection techniques for biomedical applications of optical coherent tomography.
PublicationOptyczne metody pomiarowe odgrywają w ostatnich latach coraz większą rolę w badaniach i diagnostyce medycznej. Mają one szereg zalet, do których zaliczyć można odporność na promieniowanie elektromagnetyczne, bezinwazyjność, bezpieczeństwo pomiaru oraz wysoką rozdzielczość. Jedną z najważniejszych technik stosowanych w diagnostyce medycznej jest koherentna tomografia optyczna (OCT). Jest to wysokorozdzielcza metoda obrazowania wewnętrznych...
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High-resolution microscopy assisted mechanical modeling of ultrafine electrospun network
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Deep learning super-resolution for the reconstruction of full wavefield of Lamb waves
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Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations
PublicationIn this work, we shall estimate via computer simulations the homogeneous nucleation rate for the methane hydrate at 400 bars for a supercooling of about 35 K. The TIP4P/ICE model and a Lennard-Jones center were used for water and methane, respectively. To estimate the nucleation rate, the seeding technique was employed. Clusters of the methane hydrate of different sizes were inserted into the aqueous phase of a two-phase gas–liquid...
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Convergence of Monte Carlo algorithm for solving integral equations in light scattering simulations
PublicationThe light scattering process can be modeled mathematically using the Fredholm integral equation. This equation is usually solved after its discretization and transformation into the system of algebraic equations. Volume integral equations can be also solved without discretization using the Monte Carlo (MC) algorithm, but its application to the light scattering simulations has not been sufficiently studied. Here we present implementation...
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Elimination of Impulsive Disturbances From Stereo Audio Recordings Using Vector Autoregressive Modeling and Variable-order Kalman Filtering
PublicationThis paper presents a new approach to elimination of impulsive disturbances from stereo audio recordings. The proposed solution is based on vector autoregressive modeling of audio signals. Online tracking of signal model parameters is performed using the exponential ly weighted least squares algo- rithm. Detection of noise pulses an d model-based interpolation of the irrevocably distorted sampl es is realized using an adaptive, variable-order...
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Database of the illustrative simulations of the nonstandard approximation of the generalized Burgers–Huxley equation
Open Research DataThe presented dataset is a result of numerical analysis of a generalized Burgers–Huxley partial differential equation. An analyzed diffusive partial differential equation consist with nonlinear advection and reaction. The reaction term is a generalized form of the reaction law of the Hodgkin–Huxley model, while the advection is a generalized form of...
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Finite element method simulations of various cases of crash tests with N2/W4/A steel road barrier
PublicationThe subject of this study is performance of N2/W4/A steel road safety barrier investigated in numerical simulations. System was checked under several types of initial conditions, which were assumed basing on the TB11 and TB32 normative crash tests. The main goal of present study is to investigate the relationship between initial conditions (angle and velocity) of the impact and the severity indices (associated to the vehicle occupant) during...
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Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3–10.8 eV (290–115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured...
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Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections...
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Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems
PublicationGraphical Processor Units (GPUs) are nowadays widely used in all-atom molecular simulations because of the advantage of efficient partitioning of atom pairs between the kernels to compute the contributions to energy and forces, thus enabling the treatment of very large systems. Extension of time- and size-scale of computations is also sought through the development of coarse-grained (CG) models, in which atoms are merged into extended...
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Broadening the scope of measurement and analysis of vibrations of an organ pipe employing intensity probe, simulations, and highspeed camera
PublicationThis paper shows an integrated approach to measure, analyze, and model phenomena occurring in an organ pipe driven by pressurized air. The aim of this paper is two-fold, i.e., to measure the pressure signal and the intensity field around the mouth by means of an intensity probe and to visualize and observe the motion of the air jet, which represents the excitation mechanism of the system. This is realized through two techniques,...
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Very low resolution depth images of 200,000 poses
Open Research DataA dataset represents simulated images of depth sensor seeing a single human pose, performing 200,000 random gestures. The depth images as vectors of pixels are stored with ground truth positions of every relevant joint.
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Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
PublicationHydrated zinc(II) cations, due to their importance in biological systems, are the subject of ongoing research concerning their hydration shell structure and dynamics. Here, ab initio molecular dynamics (AIMD) simulations are used to study solvent exchange events around aqueous Zn2+, for which observation in detail is possible owing to the considerable length of the generated trajectory. While the hexacoordinated Zn(H2O)62+ is the...
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Monte Carlo simulations of the fracture resistance degradation of asphalt concrete subjected to environmental factors
PublicationThe paper presents the results of laboratory tests of SCB (semi-circular beam) samples of asphalt concrete, subjected to the destructive effect of water and frost as well as the aging processes. The determined values of material parameters show significant dispersions, which makes the design of mixtures difficult. Statistical analysis of the test results supplemented by computer simulations made with the use of the proprietary...
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Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime
PublicationThe four most popular water models in molecular dynamics were studied in large-scale simulations of Brownian motion of colloidal particles in optical tweezers and then compared with experimental measurements in the same time scale. We present the most direct comparison of colloidal polystyrene particle diffusion in molecular dynamics simulations and experimental data on the same time scales in the ballistic regime. The four most...
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Thermal and Strength Properties of Lightweight Concretes with Variable Porosity Structures
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Attempt to operationalization of the category “involvement of employess”: model, type, variable
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Dynamic response of the PEM fuel cell to variable load conditions
PublicationOpisano układ zasilania oparty na 2 ogniwach paliwowych typu PEM o mocy 1.2 kW każde. Omówiono problem ograniczenie ogniwa paliwowego przez drugą zasadę termodynamiki. Przedstawiono charakterystyki układu w zależności od sygnału obciążenia typu: skok jednostkowy, półsinusoidalny, trójkątny, prostokątny i trapezowy.
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A Family of Pb-based Superconductors with Variable Cubic to Hexagonal Packing
PublicationWe describe three previously unreported superconductors, BaPb3, Ba0.89Sr0.11Pb3, and Ba0.5Sr0.5Pb3. These three materials, together with SrPb3, form a distinctive isoelectronic family of intermetallic superconductors based on the stacking of Pb planes, with crystal structures that display a hexagonal to cubic perovskite-like progression, as rarely seen in metals. The superconducting transition temperatures (Tc) are similar for...
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PROBABILISTIC ANALYSIS OF A SPACE TRUSS BY MEANS OF A MULTIDIMENSIONAL VARIABLE DESCRIPTION
PublicationThe objective of this paper is to present a variant of the point estimate method (PEM) to determine mean values and standard deviations of limit loads of engineering structures. This approach is illustrated by limit state analysis of a space truss, considering geometric and material imperfections. The calculations were performed for different random models, so the influence of random parameters on the limit load of the truss can...
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Full-scale CFD simulations for the determination of ship resistance as a rational, alternative method to towing tank experiments
PublicationResults of ship resistance predictions obtained from towing tank experiments are affected by the method used to extrapolate from a model scale to a ship scale. Selection of method to determine a form factor is subjective and the extrapolation method is accurate for typical hull forms. For innovative hull forms the proper method for calculating the form factor is questionable. Moreover, the influence of the extrapolation method...
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublicationIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which lead to one equation similar to Euler beam theory and also is free of any shear correction factor. The...
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Simulations of the Derecho Event in Poland of 11th August 2017 Using WRF Model
PublicationThis series contains datasets related to the forecasting of a severe weather event, a derecho, in Poland on 11 August 2017. The simulations were conducted using the Weather Research and Forecasting (WRF) model version 4.2.1 with different initial and boundary conditions of the pressure and model levels derived from 5 global models: Global Forecast System (GFS), Global Data Assimilation System (GDAS), European Centre for Medium-Range...
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Improved-Efficacy EM-Based Antenna Miniaturization by Multi-Fidelity Simulations and Objective Function Adaptation
PublicationThe growing demands for integration of surface mount design (SMD) antennas into miniatur-ized electronic devices have been continuously imposing limitations on the structure dimen-sions. Examples include embedded antennas in applications such as on-board devices, picosatel-lites, 5G communications, or implantable and wearable devices. The demands for size reduction while ensuring a satisfactory level of the electrical and field...
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Numerical Simulations of Seepage in Dikes Using unsaturated and Two-Phase Flow Models
PublicationModeling of water flow in variably saturated porous media, including flood dikes, is often based on the Richards equation, which neglects the flow of pore air, assuming that it remains at constant atmospheric pressure. However, there is also evidence that the air flow can be important, especially when the connectivity between the pore air and atmospheric air is lost. In such cases a full two-phase air-water flow model should be...
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Morse decompositions for a two-dimensional discrete neuron model (low resolution)
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper “Topological-numerical analysis of a two-dimensional discrete neuron model” by Paweł Pilarczyk, Justyna Signerska-Rynkowska and Grzegorz Graff. A preprint of this paper is available at https://doi.org/10.48550/arXiv.2209.03443.
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Identification of novel halogenated naturally occurring compounds in marine biota by high-resolution mass spectrometry and combined screening approaches
PublicationMarine animals, plants or bacteria are a source of bioactive naturally-occurring halogenated compounds (NHCs) such as bromophenols (BPs), bromoanisoles (BAs) and hydroxylated or methoxylated analogues of polybrominated diphenyl ethers (HO-PBDEs, MeO-PBDEs) and bromobiphenyls (HO-BBs, MeO-BBs). This study applied a comprehensive screening approach using liquid chromatography high-resolution mass spectrometry and combining target,...
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Comparison of the powers of energy losses in a variable capacity displacement pump determined without or with taking into account the power of hydraulic oil compression
PublicationPowers of energy losses in a variable capacity displacement pump are compared with or without taking into account the power of hydraulic oil compression. Evaluation of power of liquid compression in the pump was made possible by the use of method, proposed by the Author, of determining the degree of liquid aeration in the pump. In the method of determining the liquid aeration in the pump and of powers of volumetric losses of liquid...
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Comparison of Algorithms for Profile-Based Alignment of Low Resolution MALDI-ToF Spectra
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Adjusted subpixel method enables optimisation of bronchial measurements in high-resolution CT
PublicationArtykuł przedstawia metodę korekcji pomiaru rozmiaru oskrzeli w techice HRCT. W celu walidacji metody zastosowano fantom. W efekcie opracowano metodę nieliniowej predykcji rzeczywistych rozmiarów ścianek małych oskrzeli w obrazach HRCT.
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A novel methodology for the enantiomeric resolution of methamphetamine, its precursors and intermediates by GC-MS
PublicationImpurity profiling and classification of abused drugs using chiral analytical techniques is of particular interest and importance because of the additional information obtained from this approach. When these methods are applied to the synthesis of illicitly used substances, they can supply valuable information about the conditions/chemicals used in the synthesis. In this study, simultaneous chiral separation of methylamphetamine,...
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High resolution liquid chromatography and time of flight mass spectrometry in perfume analysis
PublicationPerfumes consist of a wide range of natural and synthetic compounds that belongs to different chemical classes. Most of these compounds are generally determined by GC. However, in this study RP-HPLC-Q-TOF-MS and HILIC-Q-TOF-MS technique was applied for the determination of ingredients of original perfumes and their imitations. Antioxidants and compounds specific to fragrances of animal \origin were found in original...
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A method for the three-dimensional and synchronous resolution of functional and spatial matters in architectural design
PublicationThe article discusses the issue of applied methods of teaching architectural design at Polish universities. The authors review the common methods based on conceptual drawings solving design problems in only two dimensions. After completing the floor plans' sketching process carried out in 2D way the 3D virtual models are made - seldom cardboard mock-ups - to illustrate the final spatial form of the designed object. At the Faculty...