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Search results for: VALIDATION OF NUMERICAL CALCULATIONS
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Numerical Modelling of Forced Convection of Nanofluids in Smooth, Round Tubes: A Review
PublicationA comprehensive review of published works dealing with numerical modelling of forced convection heat transfer and hydrodynamics of nanofluids is presented. Due to the extensive literature, the review is limited to straight, smooth, circular tubes, as this is the basic geometry in shell-and-tube exchangers. Works on numerical modelling of forced convection in tubes are presented chronologically in the first part of the article....
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Characterization of Bioactivity of Selective Molecules in Fruit Wines by FTIR and NMR Spectroscopies, Fluorescence and Docking Calculations
PublicationFourier transform infrared (FTIR) and proton nuclear magnetic resonance (1H NMR) spectroscopies were applied to characterize and compare the chemical shifts in the polyphenols’ regions of some fruit wines. The obtained results showed that FTIR spectra (1800–900 cm−1) and 1H NMR (δ 6.5–9.3 ppm) of different fruit wines can be used as main indices of the year of vintage and quality of fruit wines. In addition to the classical determination...
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Modeling and Strength Calculations of Parts Made Using 3D Printing Technology and Mounted in a Custom-Made Lower Limb Exoskeleton
PublicationThis study is focused on the application of 3D-printed elements and conventional elements to create a prototype of a custom-made exoskeleton for lower limb rehabilitation. The 3D-printed elements were produced by using Fused Deposition Modeling technology and acrylonitrile butadiene styrene (ABS) material. The scope of this work involved the design and construction of an exoskeleton, experimental testing of the ABS material and...
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Numerical investigations on early indicators of fracture in concrete at meso-scale.
PublicationFracture is a major reason of the global failure of concretes. The understanding of fracture is important to ensure the safety of structures and to optimize the material behaviour. In particular an early prediction possibility of fracture in concretes is of major importance. In this paper, concrete fracture under bending was numerically analysed using the Discrete Element Method (DEM). The real mesoscopic structure of a concrete...
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Numerical analysis of mechanical properties of an infill structure used in 3D printings
PublicationThe paper presents results of a numerical analysis focused on an identification of mechanical properties of an element created by using Fused Deposition Modelling additive manufacturing technique (FDM). There is presented a description of technology of the 3D printing, numerical model created by using the finite element method (FEM), as well as some problems referred to estimation of the mechanical properties of the printout. The...
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Image-based numerical modeling of the tensile deformation behavior and mechanical properties of additive manufactured Ti–6Al–4V diamond lattice structures
PublicationThis work concerns the numerical modeling of the deformation process and mechanical properties of structures obtained by the additive method laser power bed fusion (LPBF). The investigation uses diamond structures of Ti–6Al–4V titanium implantation alloy with various relative densities. To model the process of tensile deformation of the materials, geometric models were used, mapping the realistic shape of the examined structures....
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Footbridges, numerical aproach
PublicationW artykule zamieszczono przegląd symulacji numerycznych kładek dla pieszych. Został on podzielony na trzy części(modele MES, obciążenie tłumem, odpowiedź mostu).
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A numerical analysis of the thermal effects in the jet impingement stagnation zone
PublicationMost of the flows occurring in the engineering systems are turbulent and their accurate numerical analysis is still challenging, especially when combined with the heat transfer. One of the methods of heat transfer enhancement is utilization of the turbulent impinging jets, which were recently applied also in the heat exchangers. Their positive impact on the heat transfer performance was proven, but many questions related to its...
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Experimental study and numerical optimization of tensegrity domes – A case study
PublicationThe paper deals with the design, experimental analysis and numerical optimization of tensegrity dome models. Two structures are analyzed – a Geiger system dome (preliminary dome), with PVC-U bars and PA6/PP/PET tendons and a Fuller system dome (target dome), with wooden bars and steel cables as tendons. All used materials are experimentally tested in terms of Young's modulus and yield stress values, the compressed bars are also...
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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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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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Numerical Test for Stability Evaluation of Discrete-Time Systems
PublicationIn this paper, a new numerical test for stability evaluation of discrete-time systems is presented. It is based on modern root-finding techniques at the complex plane employing the Delaunay triangulation and Cauchy's Argument Principle. The method evaluates if a system is stable and returns possible values and multiplicities of unstable zeros of the characteristic equation. For state-space discrete-time models, the developed test...
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Application of GC-MS/MS technique for the determination of benzodiazepines in blood samples
PublicationAbstract Benzodiazepines (BZD) are widely used as pharmaceuticals in medicine. However, due to psychostimulatory effect of BZD, in the last decade, they are more and more often used as drugs of abuse. These compounds produce similar effects to classical illicit drugs and are sold as “legal” alternatives to them as new psychoactive substances (NPS). Currently new BZD, named designer benzodiazepines (DBZD), are synthesized each year...
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Domain segmentation for low-cost surrogate-assisted multi-objective design optimisation of antennas
PublicationAbstract: 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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Smartphones as tools for equitable food quality assessment
PublicationBackground: The ubiquity of smartphones equipped with an array of sophisticated sensors, ample processing power, network connectivity and a convenient interface makes them a promising tool for non-invasive, portable food quality assessment. Combined with the recent developments in the areas of IoT, deep learning algorithms and cloud computing, they present an opportunity for advancing wide-spread, equitable and sustainable food...
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A Data Driven Model for Predicting RNA-Protein Interactions based on Gradient Boosting Machine
PublicationRNA protein interactions (RPI) play a pivotal role in the regulation of various biological processes. Experimental validation of RPI has been time-consuming, paving the way for computational prediction methods. The major limiting factor of these methods has been the accuracy and confidence of the predictions, and our in-house experiments show that they fail to accurately predict RPI involving short RNA sequences such as TERRA RNA....
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Application of Open-Hardware-Based Solutions for Rapid Transition From Stationary to the Remote Teaching Model During Pandemic
PublicationWhile research indicates usefulness of remote laboratories in teaching of digital hardware systems, their main application is to complement stationary classes. This work presents a low-cost, scalable architecture that supports rapid transformation of teaching to a model based solely on remote access mechanisms. Background: Adaptation of online laboratory solutions from the literature to en-masse teaching of digital circuits is...
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Lagrangian model of an isolated dc-dc converter with a 3-phase medium frequency transformer accounting magnetic cross saturation
PublicationThis article presents a nonlinear equivalent circuit model of an isolated dc-dc converter with a 3-phase medium frequency transformer. The model takes into account the magnetic cross saturation of the 3-phase core-type magnetic circuit. The model is suitable in detailed electromagnetic transient simulations of power systems involving isolated dc-dc converters. The model is developed using the Lagrange energy method. It involves...
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Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublicationDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
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Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
PublicationThe quantitative structure–activity relationship (QSPR) model was formulated to quantify values of the binding constant (lnK) of a series of ligands to beta–cyclodextrin (β-CD). For this purpose, the multivariate adaptive regression splines (MARSplines) methodology was adopted with molecular descriptors derived from the simplified molecular input line entry specification (SMILES) strings. This approach allows discovery of regression...
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Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
PublicationThe possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first...
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Ontology-Aided Software Engineering
PublicationThis thesis is located between the fields of research on Artificial Intelligence (AI), Knowledge Representation and Reasoning (KRR), Computer-Aided Software Engineering (CASE) and Model Driven Engineering (MDE). The modern offspring of KRR - Description Logic (DL) [Baad03] is considered here as a formalization of the software engineering Methods & Tools. The bridge between the world of formal specification (governed by the mathematics)...
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Machine-aided detection of SARS-CoV-2 from complete blood count
PublicationThe current gold standard for SARS-CoV-2 detection methods lacks the functionality to perform population screening. Complete blood count (CBC) tests are a cost-effective way to reach a wide range of people – e.g. according to the data of the Central Statistical Office of Poland from 2016, there are 3,000 blood diagnostic laboratories in Poland, and 46% of Polish people have at least one CBC test per year. In our work, we show...
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Optimization of vortex-assisted hydrophobic magnetic deep eutectic solvent-based dispersive liquid phase microextraction for quantification of niclosamide in real samples
PublicationIn this manuscript, a green and fast vortex-assisted hydrophobic magnetic deep eutectic solvent-based dispersive liquid phase microextraction (VA-HMDES-DLPME) method was developed for the selective extraction and determination of niclosamide in read samples, including rice, medicine tablets, and water samples. Here, hydrophobic magnetic deep eutectic solvents were used as the extracting solvent without requiring any centrifugation...
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Magnetic hydrophobic deep eutectic solvents for orbital shaker-assisted dispersive liquid-liquid microextraction (MAGDES-OS-DLLME) - determination of nickel and copper in food and water samples by FAAS
PublicationIn this work, a cheap and widely applicable dispersive liquid-liquid microextraction (DLLME) method was developed for the extraction of Ni(II) and Cu(II) from water and food samples and analysis using flame atomic absorption spectrometry. DLLME was assisted by orbital shaker, while ferrofluid as an extractant was based on deep eutectic solvent (DES). This ferrofluid was made of hydrophobic DES (hDES), composed of lauric acid and...
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Xanthone synthetic derivatives with high anticandidal activity and positive mycostatic selectivity index values
PublicationWith the current massive increases in drug-resistant microbial infection as well as the significant role of fungal infections in the death toll of COVID-19, discovering new antifungals is extremely important. Natural and synthetic xanthones are promising derivatives, although only few reports have demonstrated their antifungal mechanism of action in detail. Newly synthetized by us xanthone derivative 44 exhibited strong antifungal...
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Searching for the primary metabolic alterations of polycystic ovary syndrome by application of the untargeted metabolomics approach
PublicationDespite a large number of studies, the pathogenesis of polycystic ovary syndrome (PCOS) still remains unexplained. In light of ambiguous observations reported in metabolomics, there is a need to carry out studies focusing on confirming the discriminating power of the proposed metabolomics biomarkers. Our research aimed to perform a validation study of metabolites detected in our previous study from serum samples, on the new set...
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Hybridized Space-Vector Pulsewidth Modulation for Multiphase Two-Level Voltage Source Inverter
PublicationIn space vector pulsewidth modulation (SVPWM) algorithms for multiphase two-level voltage source inverters (VSI), the components of active vectors in all orthogonal spaces have to be calculated within the processor and stored in its memory. These necessitate intensive computational efforts of the processor and large memory space. This article presents a hybridized SVPWM for multiphase two-level VSI. In this algorithm, elements...
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Detection of propofol concentrations in blood by Raman spectroscopy
PublicationIn this paper we present a proof-of-concept of a Raman spectroscopy-based approach for measuring the content of propofol, a common anesthesia drug, in whole human blood, and plasma, which is intended for use during clinical procedures. This method utilizes the Raman spectroscopy as a chemically–sensitive method for qualitative detection of the presence of a drug and a quantitative determination of its concentration. A number of...
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Investigation of Air Quality beside a Municipal Landfill: The Fate of Malodour Compounds as a Model VOC
PublicationThis paper presents the results of an investigation on ambient air odour quality in the vicinity of a municipal landfill. The investigations were carried out during the spring–winter and the spring seasons using two types of the electronic nose instrument. The field olfactometers were employed to determine the mean odour concentration, which was from 2.1 to 32.2 ou/m3 depending on the measurement site and season of the year. In...
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Novel liquid chromatography method based on linear weighted regression for the fast determination of isoprostane isomers in plasma samples using sensitive tandem mass spectrometry detection
PublicationA simple, fast, sensitive and accurate methodology based on a LLE followed by liquid chromatography–tandem mass spectrometry for simultaneous determination of four regioisomers (8-iso prostaglandin F2α, 8-iso-15(R)-prostaglandin F2α, 11β-prostaglandin F2α, 15(R)-prostaglandin F2α) in routine analysis of human plasma samples was developed. Isoprostanes are stable products of arachidonic acid peroxidation and are regarded as the...
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Minimizing Distribution and Data Loading Overheads in Parallel Training of DNN Acoustic Models with Frequent Parameter Averaging
PublicationIn the paper we investigate the performance of parallel deep neural network training with parameter averaging for acoustic modeling in Kaldi, a popular automatic speech recognition toolkit. We describe experiments based on training a recurrent neural network with 4 layers of 800 LSTM hidden states on a 100-hour corpora of annotated Polish speech data. We propose a MPI-based modification of the training program which minimizes the...
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Evaluation of Asphalt Mixture Low-Temperature Performance in Bending Beam Creep Test
PublicationLow-temperature cracking is one of the most common road pavement distress types in Poland. While bitumen performance can be evaluated in detail using bending beam rheometer (BBR) or dynamic shear rheometer (DSR) tests, none of the normalized test methods gives a comprehensive representation of low-temperature performance of the asphalt mixtures. This article presents the Bending Beam Creep test performed at temperatures from −20...
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Prototype of electrochemical sensor for measurements of volatile organic compounds in gases
PublicationThe paper presents a laboratory prototype of an electrochemical sensor for measurements of volatile organic compounds (VOCs) in gases, utilizing ionic liquids and commercial screen printed electrodes by DropSens. The following ionic liquids have been tested as the electrolyte and redox reaction environment: 1-butyl, 3-methylimidazolium dicyanoamide ([BMIM][N(CN)2]), 1-octyl, 3-methylimidazolium tetrafluoroborate ([OMIM][BF4]),...
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Experimental and Numerical Investigations of the Effect of Curing Conditions on the Temperature Rise of Concrete
PublicationThis paper presents experimental and numerical studies investigating the impact of three curing conditions on temperature evolution in concrete cubes. The tests were performed on samples of the same volume (3.375 dm3) under different curing conditions: room temperature, insulation boxes, and adiabatic calorimeter. Various cements (Portland cement, Portland composite cement, and blast furnace slag cement) and aggregates (gravel...
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Comparative Analysis of Numerical and Experimental Studies of the Airflow Around the Sample of Urban Development
PublicationIn this paper, on the background of a short overview of the recent advances in the field of Environmental Wind Engineering (EWE), a comparison of wind tunnel experiment and numerical simulation for some cases of airflow around an urban layout have been reported. The purpose of the study is quantitative and qualitative comparison of measurements in the wind tunnel as well as numerical simulation using Ansys Fluent software. The...
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Numerical modeling of exciton impact in two crystalographic phases of the organo-lead halide perovskite (CH3NH3PbI3) solar cell
PublicationTo improve the power conversion efficiency of solar cells based on organo–lead halide perovskites, a detailed understanding of the device physics is fundamental. Here, a computational analysis of excitons impact is reported for these types of photocell. Numerical calculations based on the model, which take into account electronic charge carriers (electrons and holes), excitons and ions, have been carried out. The role of excitons...
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Validation of Hydraulic Mechanism during Blowout Trauma of Human Orbit Depending on the Method of Load Application
PublicationThe more we know about mechanisms of the human orbital blowout type of trauma, the better we will be able to prevent them in the future. As long as the buckling mechanism’s veracity is not in doubt, the hydraulic mechanism is not based on equally strong premises. To investigate the correctness of the hydraulic mechanism’s theory, two different methods of implementation of the hydraulic load to the finite element method (FEM) model...
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FEM-based wave propagation modelling for SHM: Certain numerical issues in 1D structures
PublicationThe numerical modelling of structural elements is an important aspect of modern diagnostic systems. However, the process of numerical implementation requires advanced levels of consideration of multiple aspects. Important issues of that process are the positive and negative aspects of solution applied methods. Therefore the aim of this article is to familiarise the reader with the most important aspects related to the process of...
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Numerical Issues and Approximated Models for the Diagnosis of Transmission Pipelines
PublicationThe chapter concerns numerical issues encountered when the pipeline flow process is modeled as a discrete-time state-space model. In particular, issues related to computational complexity and computability are discussed, i.e., simulation feasibility which is connected to the notions of singularity and stability of the model. These properties are critical if a diagnostic system is based on a discrete mathematical model of the flow...
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A novel heterogeneous model of concrete for numerical modelling of ground penetrating radar
PublicationThe ground penetrating radar (GPR) method has increasingly been applied in the non-destructive testing of reinforced concrete structures. The most common approach to the modelling of radar waves is to consider concrete as a homogeneous material. This paper proposes a novel, heterogeneous, numerical model of concrete for exhaustive interpretation of GPR data. An algorithm for determining the substitute values of the material constants...
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Numerical investigation of the core eccentricity effect on wave propagation in embedded waveguide
PublicationThe paper presents results of theoretical and numerical investigation of guided wave propagation in two-layer bars with geometric imperfections in the form of eccentric location of steel core. Steel rod of diameter equal to 1 cm embedded in composite mortar-type cover with external diameter equal to 5 cm has been taken into consideration. Several different rods with variable size of eccentricity are analysed. Results for rods with...
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The statistical impact of experimental result scatter of asphalt mixtures on their numerical modelling
PublicationThe paper presents selected test results of asphalt mixture conducted in low temperatures. The obtained parameters are highly diverse. It concerns ultimate breaking loads, stiffness parameters related to Young's modulus but also the fracture course. Statistical analysis upon the results makes it possible to relevantly estimate the material-defining parameter values. Such a random approach leads to the mean values of breaking and...
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Numerical analysis of high temperature minichannel heat exchanger for recuperative microturbine system
PublicationConsidering the development of energy sector, distributed small-scale power generation, e.g., gas micro-CHP, is attracting considerable interest. In such installations, the heat exchanger is one of the key components possessing a significant influence on overall performance. Most studies concentrate on units operating below 900C, which do not fulfil the requirements of gas micro-CHP. Therefore, there remains a challenge to design...
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Space-Time Conservation Method applied to numerical solution of water hammer equations
PublicationArtykuł poświęcony jest metodzie czasoprzestrzennych objętości skończonych (STC) zastosowanej do przypadku uderzenia hydraulicznego w stalowym przewodzie pracującym pod ciśnieniem. Metoda STC ze względu na swoje własności numeryczne - m.in. wysoką dokładność - może być interesującą alternatywą dla tradycyjnych metod numerycznych, szczególnie w przypadku, gdy efekty numeryczne mają bardzo silny wpływ na rozwiązanie, tym samym utrudniając...
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Numerical analysis of the carpentry joints applied in the traditional wooden structures
PublicationThe paper concerns the numerical analysis of the carpentry joints made from spruce wood. The material parameters of the wood have been calculated on the basis of nine independent material constants (an orthotropic material). The contact zone between the individual elements of the connection has been determined using Contact Tables in the MSC.Marc software. Five types of carpentry joints have been analyzed. The main aim of the research...
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Experimental and numerical investigations for GPR evaluation of reinforced concrete footbridge
PublicationThe GPR method has increasingly found application in non-destructive testing of reinforced concrete structures. This paper presents the new approach of modelling of the electromagnetic wave propagation for reinforced concrete structures with a complex system of the reinforcement. Simulations of the GPR field were performed on a three-dimensional model of a footbridge using the FDTD method. Numerical maps were compared with results...
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Experimental and Numerical Study on Dynamics of Two Footbridges with Different Shapes of Girders
PublicationThe paper presents the experimental and numerical results of the dynamic system identification and verification of the behavior of two footbridges in Poland. The experimental part of the study involved vibration testing under different scenarios of human-induced load, impulse load, and excitations induced by vibration exciter. Based on the results obtained, the identification of dynamic parameters of the footbridges was performed...
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ENERGY EFFICIENT SMALL INLAND PASSENGER SHUTTLE FERRY WITH HYBRID PROPULSION - CONCEPT DESIGN, CALCULATIONS AND MODEL TESTS
PublicationIn recent years, there has been a significant development in “green” and energy efficient propulsion systems, which fits into the general trend of environmentally friendly “green shipping”. The pursued goal is to construct a safe passenger ship that is low in energy demand and equipped with a highly energy efficient, emission-free propulsion system. The paper presents main problems encountered by designers of a small, hybrid-powered...
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Density functional LCAO calculations of vibrational modes and phonon density of states in the strained single-layer phosphorene
PublicationThe paper presents an investigation of phosphorene under axial strain on the phonon density of states and vibrational modes. The studies were performed by means of density functional theory (DFT) within the linear combination of atomic orbitals (LCAO). The strained models were constructed using optimised supercell techniques. The vibrational mode spectra were estimated for strains applied for both the zigzag and armchair directions...