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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublicationOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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Cooperative mobile guards in grids
PublicationPraca dotyczy problemu strzeżenia dwuwymiarowych krat ortogonalnych, przy założeniu, że obszar widoczności strażnika obejmuje jedną ulicę oraz wszystkie ulice ją przecinające. Rozważano wariant straży słabo współpracujących, w którym dodatkowo każdy strażnik musi widzieć przynajmniej jednego innego strażnika. Podano dowód NP-trudności problemu optymalizacyjnego w przypadku ogólnym, algorytm dokładny o złożoności O(n log n) dla...
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Toward a universal Embedded-Atom Method: II. A set of transferable denisty and dimmer referenced embedding energy functions for all elements of the periodic table as tool for removing two gauge degrees of freedom in EAM potentials
PublicationZestaw kluczowych właściwości homodwuatomowych cząsteczek o Z ≤ 103 (równowagowa odległość między atomami re, energia dysocjacji DO, Liczba falowa drgań ωe) zostały zestawione na bazie dostępnych danych eksperymantalnych oraz obliczeń za pomocą teorii funkcjonałów gęstości elektronowej B3LYP/SBKJC.
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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Local Mesh Deformation for accelerated parametric studies based on the Finite Element Method
PublicationThis paper presents an approach for enhancing the efficiency of two-dimensional Finite Element Method analysis in parametric studies or optimisation process of microwave components. The new approach involves local mesh deformation applied near the elements that are modified during computations. Since in the proposed approach the topology of the mesh remains unchanged, a new mesh does not have to be generated from scratch when the...
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Rapid Surrogate-Aided Multi-Criterial Optimization of Compact Microwave Passives Employing Machine Learning and ANNs
PublicationThis article introduces an innovative method for achieving low-cost and reliable multi-objective optimization (MO) of microwave passive circuits. The technique capitalizes on the attributes of surrogate models, specifically artificial neural networks (ANNs), and multi-resolution electromagnetic (EM) analysis. We integrate the search process into a machine learning (ML) framework, where each iteration produces multiple infill points...
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Heterogeneity of national accounting systems, world-class universities and financial resources: What are the links?
PublicationThis study investigates the relationship between university financial resources, applied accounting systems, and the place of a university in the Shanghai Ranking. We find a strong relationship between the financial resources under the control of a world-class university and the position of that university in the highest tier of the global ranking. We propose a model (available online) to predict a university’s tier in the ranking...
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A general isogeometric finite element formulation for rotation‐free shells with in‐plane bending of embedded fibers
PublicationThis article presents a general, nonlinear isogeometric finite element formulation for rotation-free shells with embedded fibers that captures anisotropy in stretching, shearing, twisting, and bending - both in-plane and out-of-plane. These capabilities allow for the simulation of large sheets of heterogeneous and fibrous materials either with or without matrix, such as textiles, composites, and pantographic structures. The work...
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Local Nusselt number evaluation in the case of jet impingement
PublicationJet impingement still is one of demanding cases regarding computational fluid dynamics, due to its highly turbulent behaviour, with occurrence of turbulent-laminar transition. Even recently developed methods exhibit some drawbacks – RANS based simulations lack accuracy, LES and DNS based ones require too much computational time. Hybrid methods also exist, but their development and validation is in progress. Nevertheless, CFD application...
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High frequency dynamics of an isotropic Timoshenko periodic beam by the use of the Time-domain Spectral Finite Element Method
PublicationIn this work results of numerical simulations and experimental measurements related to the high frequency dynamics of an aluminium Timoshenko periodic beam are presented. It was assumed by the authors that the source of beam structural periodicity comes from periodical alterations to its geometry due to the presence of appropriately arranged drill-holes. As a consequence of these alterations dynamic characteristics of the beam...
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Predicting bankruptcy with the use of macroeconomic variables
PublicationRegarding the current global financial crisis, the firms can expect the increased uncertainty of their existence. The relevant literature includes extensive studies on bankruptcy prediction. Studies show that the most popular method used for prediction of firms' failures are discriminant analyses (30,3% of all models), then logit and probit models (21,3%), which all three are parametric models. The nature, the structure of the...
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Efficiency of gas detection algorithms using fluctuation enhanced sensing
PublicationEfficiency of various gas detection algorithms by applying fluctuation enhanced sensing method was discussed. We have analyzed resistance noise observed in resistive WO3- nanowires gas sensing layers. Power spectral densities of the recorded noise were used as the input data vectors for two algorithms: the principal component analysis (PCA) and the support vector machine (SVM). The data were used to determine gas concentration...
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Fast Full-Wave Multilevel Zero-Pole Optimization of Microwave Filters
PublicationA new concept is proposed for the full-wave computer-aided design of microwave filters. The method consists of two stages and operates on the zeros and poles of the transfer function and their derivatives. These quantities are evaluated from the response computed by a full-wave electromagnetic solver with two levels of accuracy. The two stages make use of different models that are optimized using a low-accuracy electromagnetic...
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Accuracy of Differential Phase Delay Estimation for GPS Spoofing Detection
PublicationGPS spoofing is an attack based on transmission of false signals to target receivers, in order to force the computation of incorrect time, position or velocity information. It is a threat which is recently considered with continuously growing awareness. There is a need for effective way of GPS spoofing detection. Many groups of methods are proposed in the literature. Spatial processing methods are considered to be robust in a wide...
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Construction of phylogenetic trees with topological constraints
PublicationThis paper proposes a method of reconstruction of phylogenetic trees based on heuristic search with topological constraints. Using topological constraints it is possible to reduce the set of solutions as well as to enforce that the result is consistent with a given hypothesis about the evolution process within some group of species. Along with this work a number of algorithms used for phylogenetic analysis were implemented. Those...
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Test loadings of arch bridges
PublicationIn Poland an appreciable developement of bridge building can be seen in recent years. Arch structures are more and more common, because of the original geometrical and aesthetical form, aside with explicit structural system. Paper concerns the applied computational conceptions and researches on an example of two arch bridges. The goal of the studies is to check the correctness of the real construction work and design assumptions,...
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Modelowanie przepływu oleju pomiędzy klockami wzdłużnego łożyska ślizgowego
PublicationW pracy przedstawiono model MES wzdłużnego łożyska ślizgowego, wykonany przy pomocy programu ANSYS. Prezentowany model umożliwia badanie przypadków smarowania zanurzeniowego oraz smarowania wymuszonego. Przedstawiono korzyści stosowania technik CFD (Computational Fluid Dynamic) pozwalających na obserwację ruchu oleju pomiędzy klockami łożyska ślizgowego w przypadku nietypowych konstrukcji systemów smarowania.
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Continuous learning as a method of raising qualifications – the perspective of workers, employers and training organizations
PublicationContinuous learning is discussed in strategic documents of Poland and the European Union. In Poland, the idea of continuous learning is not very popular. However, in the context of strong competition in the labour market and the progressive globalization processes, the skills issue takes on new meaning — both for employees and employers. In order to adapt skills to labour market needs it is necessary to conduct adequate studies...
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Patch size setup and performance/cost trade-offs in multi-objective antenna optimization using domain patching technique
PublicationA numerical study concerning multi-objective optimization of antenna structures using sequential domain patching (SDP) technique has been presented. We investigate the effect of various setups of the patch size on the operation of the SDP algorithm and possible trade-offs concerning the quality of the Pareto set found by SDP and the computational cost of the optimization process. Our considerations are illustrated using a UWB monopole...
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Iterative‐recursive estimation of parameters of regression models with resistance to outliers on practical examples
PublicationHere, identification of processes and systems in the sense of the least sum of absolute values is taken into consideration. The respective absolute value estimators are recognised as exceptionally insensitive to large measurement faults or other defects in the processed data, whereas the classical least squares procedure appears to be completely impractical for processing the data contaminated with such parasitic distortions. Since...
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Comparison of classical Winter's bracing requirements of compressedtruss chord with stability analysis of 3D truss-model
PublicationMost code requirements concerning bracing are based on principles developed by Winter. The present research is devoted tostudy a lateral buckling of truss with linear elastic side supports. The classical Winter's model of truss chord in the case ofout of the truss plane buckling is compared with nonlinear analysis of 3D truss model. Full bracing condition, that permitsthe truss chord to support load level corresponding to an unbraced...
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Fast bubble dynamics and sizing
PublicationSingle bubble sizing is usually performed by measuring the resonant bubble response using the Dual Frequency Ultrasound Method. However, in practice, the use of millisecond-duration chirp-like waves yields nonlinear distortions of the bubble oscillations. In comparison with the resonant curve obtained under harmonic excitation, it was observed that the bubble dynamic response shifted by up to 20 percent of the resonant frequency...
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Low-Cost EM-Simulation-Driven Multi-Objective Optimization of Antennas
PublicationA surrogate-based method for efficient multi-objective antenna optimization is presented. Our technique exploits response surface approximation (RSA) model constructed from sampled low-fidelity antenna model (here, obtained through coarse-discretization EM simulation). The RSA model enables fast determination of the best available trade-offs between conflicting design goals. A low-cost RSA model construction is possible through...
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Submerged objects modeling and storing in a global reference context using multiresolution spline technique,
PublicationContemporary records from multibeam sonars or even elevations from 3D shuttle radar topography missions feature high resolution. On the other hand, bathymetric models of a different resolution from different sensors are available as well, beginning from very high resolution MBS records and low resolution records coming from regular scattered measurements. Approximating and eventually visualizing the high volume scattered 3D raster...
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Correlation between Fractal Dimension and Areal Surface Parameters for Fracture Analysis after Bending-Torsion Fatigue
PublicationThis paper investigates the fracture surface topography of two steel and aluminum alloys subject to bending-torsion fatigue loadings, as well as their susceptibility to fatigue performance and failure mechanisms. Using fracture surface topography data analysis, elements with different geometries were elaborated. A correlation between the fractal dimension, other selected parameters of surface topography such as areal Sx, and...
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The symmetric extendibility of quantum states
PublicationStudies on the symmetric extendibility of quantum states have become particularly important in the context of the analysis of one-way quantum measures of entanglement, and the distillability and security of quantum protocols. In this paper we analyze composite systems containing a symmetric extendible part, with particular attention devoted to the one-way security of such systems. Further, we introduce a new one-way entanglement...
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Electron scattering from tin tetrachloride (SnCl4) molecules
PublicationAbsolute grand-total cross section (TCS) for electron scattering from a tin tetrachloride, SnCl4, molecule was measured at electron-impact energies ranging from 0.6 to 300 eV, in the linear electron-transmission experiment. The measured TCS energy dependence shows two very pronounced enhancements peaking near 1.2 eV and around 9.5 eV, separated with a deep minimum centered close to 3 eV. The low energy structure is attributed to...
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Photogrammetric and total station's measurement of compressed column's model
PublicationModelling studies continue to play an important role. One of such study is stress determination in the reinforcement bars of reinforced columns and determine column's axis deformation. The article presents measurements results of control points located on the model of reinforced concrete column. The column was compressed in few series till it's destruction. In this studies, photogrammetric method and total station measurements...
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Improved model of isothermal and incompressible fluid flow in pipelines versus the Darcy–Weisbach equation and the issue of friction factor
PublicationIn this article, we consider the modelling of stationary incompressible and isothermal one-dimensional fluid flow through a long pipeline. The approximation of the average pressure in the developed model by the arithmetic mean of inlet and outlet pressures leads to the known empirical Darcy–Weisbach equation. Most importantly, we also present another improved approach that is more accurate because the average pressure is estimated...
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Solving highly-dimensional multi-objective optimization problems by means of genetic gender
PublicationPaper presents a computational optimization study using a genetic gender approach for solving multi-objective optimization problems of detection observers. In this methodology the information about an individual gender of all the considered solutions is applied for the purpose of making distinction between different groups of objectives. This information is drawn out of the fitness of individuals and applied during a current parental...
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The complexity of zero-visibility cops and robber
PublicationWe consider the zero-visibility cops & robber game restricted to trees. We produce a characterisation of trees of copnumber k and We consider the computational complexity of the zero-visibility Cops and Robber game. We present a heavily modified version of an already-existing algorithm that computes the zero-visibility copnumber of a tree in linear time and we show that the corresponding decision problem is NP-complete on a nontrivial...
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Solving highly-dimensional multi-objective optimization problems by means of genetic gender
PublicationPaper presents a computational optimization study using a genetic gender approach for solving multi-objective optimization problems of detection observers. In this methodology the information about an individual gender of all the considered solutions is applied for the purpose of making distinction between different groups of objectives. This information is drawn out of the fitness of individuals and applied during a current parental...
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An absorbing set for the Chialvo map
PublicationThe classical Chialvo model, introduced in 1995, is one of the most important models that describe single neuron dynamics. In order to conduct effective numerical analysis of this model, it is necessary to obtain a rigorous estimate for the maximal bounded invariant set. We discuss this problem, and we correct and improve the results obtained by Courbage and Nekorkin (2010). In particular, we provide an explicit formula for an...
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Displacement control in PWK-type pumps
PublicationThe most important, strategic goal however is creation of the variable displacement version of the new pump PWK. Thanks to full discharge of it's commutation mechanism from hydrostatic forces the variable pump can be directly controlled by low-energy actuator like proportional electromagnet or stepping motor. It means that costly and complicated hydraulic servomechanism (applied in all present variable displacement pumps) is no...
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Simplified probabilistic analysis of settlement of cyclically loaded soil stratum using point estimate method
PublicationThe paper deals with the probabilistic analysis of settlement of a non-cohesive soil layer subjected to cyclic loading. Originally, the settlement assessment is based on deterministic compaction model which requires integration of a set of differential equations. However, making use of the Bessel functions the settlement of the soil stratum can be calculated by means of simplified algorithm. The compaction model parameters were...
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Optymalizacja treningu i wnioskowania sieci neuronowych
PublicationSieci neuronowe są jedną z najpopularniejszych i najszybciej rozwijających się dziedzin sztucznej inteligencji. Ich praktyczne wykorzystanie umożliwiło szersze użycie komputerów w wielu obszarach komunikacji, przemysłu i transportu. Dowody tego są widoczne w elektronice użytkowej, medycynie, a nawet w zastosowaniach militarnych. Wykorzystanie sztucznej inteligencji w wielu przypadkach wymaga jednak znacznej mocy obliczeniowej,...
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A subdomain model for armature reaction field and open‐circuit field prediction in consequent pole permanent magnet machines
PublicationIn this paper, the machine quantity, such as electromagnetic torque, self and mutual inductances, and electromotive force, is analytically calculated for non-overlapping winding consequent pole slotted machine for open-circuit field and armature reaction. The sub-domain approach of (2-D) analytical model is developed using Maxwell's equations and divide the problem into slots, slot-openings, airgap and magnets region, the magnet...
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Accuracy Analysis of Determination the Vertical Displacements in Unstable Reference System
PublicationMeasurements of horizontal and vertical displacements are carried out mostly based on reference points identified as fixed. In surveying practice there may be some situations in which there is not possible to perform the measurements with reference to stable points or the difficulties in identification of points’ stability may arise. Accuracy analysis based on the covariance matrices have a special role in this process. In presented...
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Automated Reduced Model Order Selection
PublicationThis letter proposes to automate generation of reduced-order models used for accelerated -parameter computation by applying a posteriori model error estimators. So far,a posteriori error estimators were used in Reduced Basis Method (RBM) and Proper Orthogonal Decomposition (POD) to select frequency points at which basis vectors are generated. This letter shows how a posteriori error estimators can be applied to automatically select...
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Performance Models of a Multidomain IMS/NGN Service Stratum
PublicationThis paper quantifies call processing performance (CPP) of a multidomain IMS/NGN architecture, which was proposed to deliver current and future telecommunication services with strict quality requirements, independently of the transport network technologies. A realistic simulation model is used as a reference for evaluation of the analytical results, in which vari-ous types of queuing systems are applied to model the opera-tion...
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OPTIMIZATION OF THE LAST STAGE OF GAS-STEAM TURBINE USING A HYBRID METHOD
PublicationThis paper relates to the CFD calculation of a new turbine type which is in the phase of theoretical analysis, because the working fluid is a mixture of steam and gas generated in wet combustion chamber. At first, this article concentrates on a possibility of streamlining the flow efficiency of a last stage of axial turbine working on gas-steam mixture using a hybrid of the particle swarm optimization algorithm with the Nelder-Mead...
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Self-Adaptive Mesh Generator for Global Complex Roots and Poles Finding Algorithm
PublicationIn any global method of searching for roots and poles, increasing the number of samples increases the chances of finding them precisely in a given area. However, the global complex roots and poles finding algorithm (GRPF) (as one of the few) has direct control over the accuracy of the results. In addition, this algorithm has a simple condition for finding all roots and poles in a given area: it only requires a sufficiently dense...
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Galerkin formulations of isogeometric shell analysis: Alleviating locking with Greville quadratures and higher-order elements
PublicationWe propose new quadrature schemes that asymptotically require only four in-plane points for Reissner–Mindlin shell elements and nine in-plane points for Kirchhoff–Love shell elements in B-spline and NURBS-based isogeometric shell analysis, independent of the polynomial degree p of the elements. The quadrature points are Greville abscissae associated with pth-order B-spline basis functions whose continuities depend on the specific...
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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublicationPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
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Fast geometry scaling of miniaturized microwave couplers with power split correction
PublicationRedesigning a microwave circuit for various operating conditions is a practically important yet challenging problem. The purpose of this article is development and presentation of a technique for fast geometry scaling of miniaturized microwave couplers with respect to operating frequency. Our approach exploits an inverse surrogate model constructed using several reference designs that are optimized for a set of operating frequencies...
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Numerically efficient algorithm for compact microwave device optimization with flexible sensitivity updating scheme
PublicationAn efficient trust-region algorithm with flexible sensitivity updating management scheme for electromagnetic (EM)-driven design optimization of compact microwave components is proposed. During the optimization process, updating of selected columns of the circuit response Jacobian is performed using a rank-one Broyden formula (BF) replacing finite differentiation (FD). The FD update is omitted for directions sufficiently well aligned...
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A Novel Trust-Region-Based Algorithm with Flexible Jacobian Updates for Expedited Optimization of High-Frequency Structures
PublicationSimulation-driven design closure is mandatory in the design of contemporary high-frequency components. It aims at improving the selected performance figures through adjustment of the structure’s geometry (and/or material) parameters. The computational cost of this process when employing numerical optimization is often prohibitively high, which is a strong motivation for the development of more efficient methods. This is especially...
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Parametric Study on a Performance of a Small Counter-Rotating Wind Turbine
PublicationA small Counter-Rotating Wind Turbine (CRWT) has been proposed and its performancehas been investigated numerically. Results of a parametric study have been presented in this paper.As parameters, the axial distance between rotors and a tip speed ratio of each rotor have been selected.Performance parameters have been compared with reference to a Single Rotor Wind Turbine (SRWT).Simulations were carried out with Computational Fluids...
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FEM simulations applied to the failure analysis of RC structure under the influence of municipal sewage pressure
PublicationThe paper discusses a failure mechanism of reinforced concrete (RC) structure with steel cover that failed under the influence of municipal sewage pressure. To explain the reasons of failure, in-situ measurements, laboratory experiments and comprehensive Finite Element Method (FEM) computations were performed. Non-destructive in-situ scanning tests were carried out to determine quantity and cover thickness of embedded reinforcement...