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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublikacjaDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Determination of Odour Interactions in Gaseous Mixtures Using Electronic Nose Methods with Artificial Neural Networks
PublikacjaThis paper presents application of an electronic nose prototype comprised of eight sensors, five TGS-type sensors, two electrochemical sensors and one PID-type sensor, to identify odour interaction phenomenon in two-, three-, four- and five-component odorous mixtures. Typical chemical compounds, such as toluene, acetone, triethylamine, α-pinene and n-butanol, present near municipal landfills and sewage treatment plants were subjected...
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Simplified, multiregional fuzzy model of a nuclear power plant steam turbine
PublikacjaPower systems, including steam turbines and synchronous generators, are complex nonlinear systems with parameters varying over time. The paper presents the developed simplified, multiregional fuzzy model of the steam turbine of a nuclear power plant turbine generator set and compares the results with a full nonlinear model and commonly used linear input-output model of a steam turbine. The proposed model consist of series of linear...
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Effect of TiO2 Concentration on Microstructure and Properties of Composite Cu–Sn–TiO2 Coatings Obtained by Electrodeposition
PublikacjaIn this work, Cu–Sn–TiO2 composite coatings were electrochemically obtained from a sulfate bath containing 0–10 g/L of TiO2 nanoparticles. The effect of TiO2 particles on kinetics of cathodic electrodeposition has been studied by linear sweep voltammetry and chronopotentiometry. As compared to the Cu–Sn alloy, the Cu–Sn–TiO2 composite coatings show rougher surfaces with TiO2 agglomerates embedded in the metal matrix. The highest...
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Precise Point Positioning Method Based on Wide-lane and Narrow-lane Phase Observations and Between Satellites Single Differencing
PublikacjaThe issue of using PPP method in position determination was formed in 1997. In most developed methods, ionospheric-free linear combination is used in order to eliminate the impact of the ionospheric delay. However, this approach does not provide the directly determination of the total value of the ambiguities, and the ambiguities for the individual signals. Therefore, in many publications methods of avoiding these deficiencies...
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Calix[4]arenes appended with thioamide moieties as powerful tool for heavy metals recognition
PublikacjaSelectivity of new thioamide derivatives was assessed using those ligands as sensor materials in ion-selective membrane electrodes and tested towards Pb2+ - selectivity. The influence of the nature of the thioamide function (linear, branched or cyclic substituents) on their ionophoric properties was investigated. Electrodes based on cyclic thioamide moieties are promising analytical tools for monitoring Pb2+ concentration in natural...
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Multiple-channel frequency-adaptive active vibration control using SONIC
PublikacjaSONIC (self-optimizing narrowband interference canceller) is an acronym of a new approach to rejection of sinusoidal disturbances acting at the output of a discretetime stable linear plant with unknown and possibly timevarying dynamics. The paper presents two frequency-adaptive extensions of the multivariate SONIC algorithm. The efficacy of the proposed solutions is tested using our laboratory-scale active vibration control plant.
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Membrane model of human abdominal wall. Simulations vs. in vivo measurements
PublikacjaThe study presents a methodology of defining a numerical model of human abdominal wall based on the experimentally registered data of the abdomen geometry due to variations of the intraabdominal pressure. The abdominal wall is modelled here as a simple homogeneous membrane structure made of linear orthotropic material The displacements registered during the increase of pressure are compared with the re-sults of the model static...
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublikacjaLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
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Role of methylation in electron scattering on X(CH3)4 (X = C, Si, Ge) molecules
PublikacjaTotal cross sections (TCS) for low-energy electron scattering from X(CH3)4 (where X = C, Si, Ge) molecules have been measured using linear transmission method. Present results and those obtained previously for XH4 molecules were used to determine how methylation of the target is reflected in TCS energy dependence.
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Different types of solvability conditions for differential operators
PublikacjaSolvability conditions for linear differential equations are usually formulated in terms of orthogonality of the right-hand side to solutions of the homogeneous adjoint equation. However, if the corresponding operator does not satisfy the Fredholm property such solvability conditions may be not applicable. For this case, we obtain another type of solvability conditions, for ordinary differential equations on the real axis, and...
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On Solvability of Boundary Value Problems for Elastic Micropolar Shells with Rigid Inclusions
PublikacjaIn the framework of the linear theory of micropolar shells, existence and uniqueness theorems for weak solutions of boundary value problems describing small deformations of elastic micropolar shells connected to a system of absolutely rigid bodies are proved. The definition of a weak solution is based on the principle of virial movements. A feature of this problem is non-standard boundary conditions at the interface between the...
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The Housing Pattern and Entrepreneurship in Polish Suburban Landscape
PublikacjaAbstract. Housing stimulates the development of SMEs (small and medium enterprises) in the suburbs. The multidisciplinary research in fields of urban planning and economics, carried out by the Authors, confirms this trend. The purpose of this paper is to present the multidisciplinary results of the research on the determinants of SME localization in the suburban areas of Gdansk, Gdynia and Sopot (the Metropolitan Area Gdansk–Gdynia-Sopot...
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Green chromatography
PublikacjaAnalysis of organic compounds in samples characterized by different composition of the matrix is very important in many areas. A vast majority of organic compound determinations are performed using gas or liquid chromatographic methods. It is thus very important that these methods have negligible environmental impact. Chromatographic techniques have the potential to be greener at all steps of the analysis, from sample collection...
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Parallelization of large vector similarity computations in a hybrid CPU+GPU environment
PublikacjaThe paper presents design, implementation and tuning of a hybrid parallel OpenMP+CUDA code for computation of similarity between pairs of a large number of multidimensional vectors. The problem has a wide range of applications, and consequently its optimization is of high importance, especially on currently widespread hybrid CPU+GPU systems targeted in the paper. The following are presented and tested for computation of all vector...
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Torsional elasticity and energetics of F1-ATPase
PublikacjaFoF1-ATPase is a rotary motor protein synthesizing ATP from ADP driven by a cross-membrane proton gradient. The proton flow through the membrane-embedded Fo generates the rotary torque that drives the rotation of the asymmetric shaft of F1. Mechanical energy of the rotating shaft is used by the F1 catalytic subunit to synthesize ATP. It was suggested that elastic power transmission with transient storage of energy in some compliant...
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MERPSYS: An environment for simulation of parallel application execution on large scale HPC systems
PublikacjaIn this paper we present a new environment called MERPSYS that allows simulation of parallel application execution time on cluster-based systems. The environment offers a modeling application using the Java language extended with methods representing message passing type communication routines. It also offers a graphical interface for building a system model that incorporates various hardware components such as CPUs, GPUs, interconnects...
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Soft Real-Time Communication with WebSocket and WebRTC Protocols Performance Analysis for Web-based Control Loops
PublikacjaThe web browser has become an access window for content and services. The browser is available on almost any device connected to the network, regardless of its intended use: desktop, mobile device, computing server, e-book reader etc. Browsers are used by people to read news, contact the world, to check a bank account, register a visit at the doctor, watching video content, electronic purchases, using web versions of the office...
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Sustainability of Cluster Organizations as Open Innovation Intermediaries
PublikacjaThe purpose of the paper is to identify the most important open innovation practices used by cluster organizations (COs). To reflect these practices, the paper uses the concept of the trajectory of relationship development in COs, applied in the Interizon cluster organization. Additionally, this paper introduces the potential sustainability-related implications of open innovation adoption in cluster organizations. An in-depth direct...
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Problemy modelowania liczby podróży generowanych i absorbowanych na przykładzie Gdańska
PublikacjaJedną z podstawowych danych niezbędnych do planowania elementów systemu transportowego jest informacja o liczbie podróży odbywanych na analizowanym obszarze. Dane te uzyskiwane są najczęściej za pomocą symulacyjnych modeli transportowych. Jednym z istotnych elementów i pierwszym etapem najczęściej stosowanego, klasycznego modelu czterostopniowego jest modelowanie liczby podróży generowanych i absorbowanych, podczas którego to...
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An improved frequency estimator for an adaptive active noise control scheme
PublikacjaAn improved frequency tracker is proposed for the recently introduced self optimizing narrowband interference canceller (SONIC). The scheme is designed for disturbances with quasi-linear frequency modulation and, under second-order Gaussian random-walk assumption, can be shown to be statistically efficient. One real-world experiment and several simulations show that a considerable improvement in disturbance rejection may be achieved...
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Dual polarization antennas for UHF RFID readers
PublikacjaThis paper presents various concepts of switching polarization in patch antenna dedicated for UHF RFID readers. Proposed designs allow for switching between linear and circular polarization. The first design does not require electronic switching as the polarization can be changed by choosing one of two available feeding terminals. Two remaining designs use PIN diode or FET SPDT switch.
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Modelling of Geared Multi-Rotor System
PublikacjaIn the paper the method of modelling a speed-varying geared rotor system is presented. The proposed approach enables us to obtain an accurate low-order lumped parameter representation of the investigated system. The final model consists of reduced modal models of an undamped beam/torsional shaft system as well as a spatially lumped model of other linear and nonlinear phenomena including gear mesh interaction.
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The Syntheses and Crystal Structures of the First Disiloxane-1,3-dithiol and Its Cadmium Complex.
PublikacjaThe new silicon–sulfur compound: disiloxane-1,3-dithiol was obtained from silicon disulfide and 2,6-diisopropylphenol in a reaction catalyzed by imidazole or 4-(dimethylamino)pyridine (DMAP). Crystal structure of disiloxane–1,3-dithiol reveals a close-to-linear Si–O–Si angle and a mutual trans position of the two hydrosulfido groups. The compound forms a chelating mononuclear complex with cadmium ions.
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Stability of an Innovative Cold-Formed GEB Section
PublikacjaThis paper is focused on the numerical analysis and experimental test of stability of the cold-formed profile with an innovative GEB cross-section. For the shell model of the axially compressed member, the linear buckling analysis and the nonlinear static analysis were carried out. In the numerical research, the buckling load and the limit load for variable section heights were obtained. Some of the results were compared with the...
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Investigating Fuel Injection Strategies to Enhance Ship Energy Efficiency in Wave Conditions
PublikacjaThe prediction of fuel consumption and resulting transportation costs is a crucial stage in ship design, particularly for conditions involving motion in waves. This study investigates the real-time fuel consumption of a container ship when sailing in waves. The overall ship performance is evaluated using a novel non-linear coupled hull-engine-propeller interaction model. A series of towing tank experiments for hull resistance in...
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Acoustic heating produced in resonators filled by a newtonian fluid
PublikacjaAcoustic heating in resonators is studied. The governing equation of acoustic heating is derived by means of the special linear combination of conservation equations in differential form, allowing the reduction of all acoustic terms in the linear part of the final equation, but preserving terms belonging to the thermal mode responsible for heating. This equation is instantaneous and includes nonlinear acoustic terms that form a...
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Time-Domain Description of Point-Source Acoustic Wavefields as a Useful Approach in Ultrasonic Techniques
PublikacjaIn traditional acoustics, field problems are usually treated in the frequency domain, broadband fields being reduced to superposition of harmonic spectrum components. However, this approach is inherently acausal and it is known that in case of arbitrary signals, the distribution-based, time-domain description can be more effective. The present paper is an attempt to expand the time-domain linear systems formalism onto space problems...
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Time-domain description of point-source acoustic wavefields as a useful approach in ultrasonic techniques
PublikacjaIn traditional acoustics, field problems are usually treated in the frequency domain, broadband fields being reduced to superposition of harmonic spectrum components. However, this approach is inherently acausal and it is known that in case of arbitrary signals, the distribution-based, time-domain description can be more effective. The present paper is an attempt to expand the time-domain linear systems formalism onto space problems...
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Numerical study on pounding between two adjacent buildings under earthquake excitation
PublikacjaSeismic excitation, which results in large horizontal relative displacements, may cause collisions between two adjacent structures due to insufficient separation distance between them. Such collisions, known as earthquake-induced structural pounding, may induce severe damages. In this paper, the case of pounding between two adjacent buildings is studied by the application of single degree-of-freedom structural models. Impact is...
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The impact of methods the stochastic analysis on swimming safety of multihull floating units (Part1)
PublikacjaThe presented article concerns the application of the methods of the stochastic analysis to solve differential equations for multihull catamaran-type floating unit. There was described the continuous process of Markov and the method of equations of Focker-Planck-Kolmogorov. The analysis of dynamics of the multihull unit was carried out with the assumption that the system model is the linear model with six degrees of freedom, on...
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Stability analysis of nanobeams in hygrothermal environment based on a nonlocal strain gradient Timoshenko beam model under nonlinear thermal field
PublikacjaThis article is dedicated to analyzing the buckling behavior of nanobeam subjected to hygrothermal environments based on the principle of the Timoshenko beam theory. The hygroscopic environment has been considered as a linear stress field model, while the thermal environment is assumed to be a nonlinear stress field based on the Murnaghan model. The size-dependent effect of the nanobeam is captured by the nonlocal strain gradient...
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RF Multi-Functional Input-Reflectionless Dispersive-Delay Structure With Sharp-Rejection Filtering Using Channelization Techniques
PublikacjaA class of RF multi-functional input-reflectionless dispersive-delay structure (DDS) with linear-type in-band groupdelay variation and sharp-rejection bandpass-filtering capability is reported. It exploits a two-branch-channelized/balanced-type circuit with similar low-order reflective DDS units inside its channels, which are connected through input/output 3-dB quadrature wideband couplers. The adopted DDS unit is based on a coupledresonator...
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Multi-objective optimization of tool wear, surface roughness, and material removal rate in finishing honing processes using adaptive neural fuzzy inference systems
PublikacjaHoning processes are usually employed to manufacture combustion engine cylinders and hydraulic cylinders. A crosshatch pattern is obtained that favors the oil flow. In this paper, Adaptive Neural Fuzzy Inference System (ANFIS) models were obtained for tool wear, average roughness Ra, cylindricity and material removal rate in finish honing processes. In addition, multi-objective optimization with the desirability function method...
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Planning optimised multi-tasking operations under the capability for parallel machining
PublikacjaThe advent of advanced multi-tasking machines (MTMs) in the metalworking industry has provided the opportunity for more efficient parallel machining as compared to traditional sequential processing. It entailed the need for developing appropriate reasoning schemes for efficient process planning to take advantage of machining capabilities inherent in these machines. This paper addresses an adequate methodical approach for a non-linear...
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Numerical evaluation of dynamic response of an experimentally tested base-isolated and fixed-base steel structure model
PublikacjaSeismic isolation is recognized as one of the most popular and effective methods of protecting structures during earthquake. The present paper is focused on the comparison be-tween the dynamic responses of buildings with fixed and isolated bases exposed to seismic exci-tations. The aim of the study is to investigate the effectiveness of a simplified base isolation numerical modelling technique using the linear springs. One-storey...
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublikacjaAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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Prediction of Processor Utilization for Real-Time Multimedia Stream Processing Tasks
PublikacjaUtilization of MPUs in a computing cluster node for multimedia stream processing is considered. Non-linear increase of processor utilization is described and a related class of algorithms for multimedia real-time processing tasks is defined. For such conditions, experiments measuring the processor utilization and output data loss were proposed and their results presented. A new formula for prediction of utilization was proposed...
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The Point Estimate Method in a Reticulated Shell Reliability Analysis
PublikacjaThe objective of this paper is to present an application of the point estimate method (PEM) to determine the probabilistic moments for engineering structures. Reliability analysis is illustrated by two examples: an estimation of the critical force in linear elastic buckling analysis and a reticulated shell limit load determinations. Calculations were also made using Monte Carlo method. It has been shown the practical usefulness...
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GPU-accelerated finite element method
PublikacjaIn this paper the results of the acceleration of computations involved in analysing electromagnetic problems by means of the finite element method (FEM), obtained with graphics processors (GPU), are presented. A 4.7-fold acceleration was achieved thanks to the massive parallelization of the most time-consuming steps of FEM, namely finite-element matrix-generation and the solution of a sparse system of linear equations with the...
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Towards increasing F-measure of approximate string matching in O(1) complexity
PublikacjaThe paper analyzes existing approaches for approximate string matching based on linear search with Levenshtein distance, AllScan and CPMerge algorithms using cosine, Jaccard and Dice distance measures. The methods are presented and compared to our approach that improves indexing time using Locally Sensitive Hashing. Advantages and drawbacks of the methods are identified based on theoretical considerations as well as empirical evaluations...
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A Meta-Analysis of Pulse Arrival Time Based Blood Pressure Estimation
PublikacjaThe paper presents a preliminary meta-analysis of the sample correlation between pulse arrival time (PAT) and blood pressure (BP). The aim of the study was to verify sample correlation coefficient between PAT and BP using an affine model BP = a · P AT + b for systolic and diastolic blood pressure. The databases included in the search were the IEEE Xplore Digital Library, Springer Link and Google Scholar. Only papers from 2005 to...
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Modeling and MANOVA studies on toxicity and endocrine potential of packaging materials exposed to different extraction schemes
PublikacjaThe stability of the linings of packaging that is in contact with the goods stored has been of major concern during decades of the development of packaging materials. In this work, an attempt was undertaken to assess the applicability of using two bioassays (Microtox® and XenoScreen YES/YAS) in estimating the stability of packaging (cans, caps, multilayer material) and the impact of their degradation on the toxicity of some simulated media....
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Investor confidence and high financial literacy jointly shape investments in risky assets
PublikacjaHouseholds consistently invest less in equities and bonds than predicted by economic theory. We explain this from a behavioral economics perspective and distributional analysis using rich US survey microdata. We find that higher investor self-confidence in her financial abilities and financial literacy jointly increase the probability of investing in equities. Conditional on participation, confidence in the macroeconomy additionally...
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Transformational Leadership and Acceptance of Mistakes as a Source of Learning: Poland-USA Cross-Country Study
PublikacjaThis study explores the influence of transformational leadership on internal innovativeness mediated by mistakes acceptance, including country and industry as factors to be considered and gender and risk-taking attitude as moderators. General findings, primarily based on the US samples (healthcare, construction, and IT industry), confirmed that transformational leadership and internal innovativeness are mediated by mistakes acceptance...
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Efficiency of European public higher education institutions: a two-stage multicountry approach
PublikacjaThe purpose of this study is to examine efficiency and its determinants in a set of higher education institutions (HEIs) from several European countries by means of non-parametric frontier techniques. Our analysis is based on a sample of 259 public HEIs from 7 European countries across the time period of 2001-2005. We conduct a two-stage DEA analysis (Simar and Wilson in J Economet 136:31-64, 2007), first evaluating DEA scores...
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ESTIMATION OF THE WILLINGNESS-TO-PAY FOR PRESERVING THE FOOTBALL ARENA IN GDANSK
PublikacjaThe European Football Championship (Euro 2012) organized in Poland became the pretext for a number of infrastructural changes. A high level of expenditure makes the Polish event the most expensive among events of this magnitude. The fact that these changes were 100% financed by public funds raises the question of whether these funds were used in a substantiated way. Therefore, the aim of this study is...
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Roughness evaluation of turned composite surfaces by analysis of the shape of Autocorrelation Function
PublikacjaIn this paper, the application of an Autocorrelation Function for the characterisation of surface topography was validated. The roughness evaluation of turned composite surfaces was supported by sophisticated studies of the Autocorrelation Function properties, considering especially the shape of the function. Details were measured with the optical method. The selection of the surface roughness evaluation procedures was carried...
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Geometrically nonlinear analysis of shells - Benchmark problems for Autocad Robot Analysis Professional
PublikacjaThe aim of this work is to verify the suitability of commercial engineering software for geometrically nonlinear analysis of shells. This paper deals with the static, geometrically nonlinear analysis of shells made of an isotropic material. The Finite Element Method (FEM) is chosen to solve the problem. The results of the commercial software Autocad Robot Structural Analysis Professional (ARSAP) are compared with the litera-ture...
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A method of nonlinearities of transformer no-load characteristic modelling
PublikacjaA way in which changes of the no-load characteristic are taken into account in the mathematical model of the transformer is presented. Changes of saturation within core of transformer are presented as a combined non-linear flux curve. Analysis of magnetization of the transformer core and simulation of no-load state for distribution transformer of 30 kVA power rating and 15.75/0.4 kV/kV (especially supplying VLV) transformation...