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Nuclear Power Plant Steam Turbine - Modeling for Model Based Control Purposes
PublicationThe nature of the processes taking place in a nuclear power plant (NPP) steam turbine is the reason why their modeling is very difficult, especially when the model is intended to be used for on-line optimal model based process control over a wide range of operating conditions, caused by changing electrical power demand e.g. when combined heat and power mode of work is utilized. The paper presents three nonlinear models of NPP steam...
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The calculation long-term physical field created by water flow around the ship
PublicationThe paper presents a description of the problems with fluid flow around a ship. Using the described solution of the problem were performed numerical calculations using the boundary element method. Were also presented preliminary results of the calculation of pressure fields at the bottom of the ship, taking into account the impact of the bottom.
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Positron-electron correlation-polarization potentials for the calculation of positron collisions with atoms and molecules
PublicationWe present correlation-polarization potentials for the calculation of scattering cross sections of positrons with atoms and molecules. The potentials are constructed from a short-range correlation term and a long-range polarization term. For the short-range correlation term we present four different potentials that are derived from multi-component density functionals. For the long-range polarization term we employ a multi-term...
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Numerical calculation wall pressure and stresses in cylindrical silos withconical hopper
PublicationOmówiono wyniki numerycznego obliczania naporu materiału sypkiego na ściany silosu. Obliczenia wykonano stosując metodę elementów skończonych i sprężysto idealnie plastyczne prawo konstytutywne według Druckera-Pragera. W analizie uwzględniono wpływ osiowy i mimośrodowy.
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Errors of Surface Topography Parameter Calculation in Grinded or Turned Details Analysis
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Network Graph Transformation Providing Fast Calculation of Paths for Resilient Routing
PublicationProtection of transmission against failures can be appropriately dealt with by alternative paths. However, common schemes (e.g., Bhandaris scheme) are characterized by a remarkable delay while determining the transmission paths. This in turn may have a serious impact on serving dynamic demands (characterized by relatively short duration time). As a remedy to this problem, we introduce an approach to pre-compute the sets of disjoint...
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Calculation of an ultimate load value of a silo with geometric imperfections in the shape of eigenforms
PublicationThe ultimate load value of a silo with initial geometric imperfections was measured. The structure was loaded with wind. Imperfections were assumed as translations of the shell nodes from perfect geometry taken from eigenforms and their combinations. Two variants of the maximum deflection placement with respect to the direction of wind pressure were proposed. The first consists in applying the maximum wind pressure to the element...
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Calculation of Resonance in Planar and Cylindrical Microstrip Structures Using a Hybrid Technique
PublicationA hybrid technique was employed for the analysis of the resonance frequency of thin planar and cylindrical microstrip structures with the patches of arbitrary geometry. The proposed technique utilizes a combination of Galerkin’s moment method and a finite-element method (FEM). In this approach, an FEM is adopted to calculate the patch surface current densities, and a method of moments is utilized to calculate the resonance frequencies...
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Performance comparison of new modified gradient algorithm and Foy algorithm for iterative position calculation
PublicationIn the paper a new position calculation algorithm is presented. It is proposed for indoor environments and is called modified gradient algorithm. This algorithm is compared with well-known Foy algorithm. The comparative analysis is based on real distance measurements conducted in indoor environment.
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Nonlinear secondary arc model use for evaluation of single pole auto-reclosing effectiveness
PublicationPurpose – The purpose of this paper is to discuss two evaluation methods of single pole autoreclosing process effectiveness in HV transmission lines. Secondary arc current and recovery voltage results obtained by load flow calculation are compared to the results obtained by the time domain simulations. Moreover, a nonlinear secondary arc implementation is presented. Design/methodology/approach – A computer simulation studies were...
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Numerical calculation of three-phase transformer's residual flux in ATP and PSpice programs.
PublicationW artykule przedstawiono analizę przebiegów prądu i strumienia magnetycznego podczas wyłączania transformatora energetycznego, wykonaną w celu określenia strumieni szczątkowych. Wykorzystano do tego celu modele obwodowe zbudowane w oparciu o programy symulacyjne ATP (Alternative Transients Program) i PSpice. Wyniki obliczeń okazały się bardzo zbliżone dla obu modeli. Przy ich wykorzystaniu obliczono strumienie szczątkowe w kolumnach...
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B-podand complexes with sodium ions: the reaction heats and PM5 semiempirical calculation
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublicationThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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Synthesis and Spectroscopic Characterization of Selected Phenothiazines and Phenazines Rationalized Based on DFT Calculation
PublicationTwo unique structures were isolated from the phosphorylation reaction of 10H-phenothiazine.The 5,5-dimethyl-2-(10H-phenothiazin-10-yl)-1,3,2-dioxaphosphinane 2-oxide (2a) illustrates theproduct of N-phosphorylation of phenothiazine. Moreover, a potential product of 2a instability,a thiophosphoric acid 2b, was successfully isolated and structurally characterized. Molecule 2a,similarly to sulfoxide derivative...
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The results of analyses of deep excavation walls using two different methods of calculation
PublicationPrzedstawiono wyniki obliczeń obudowy głębokiego wykopu dwukrotnie rozpieranej i dwukrotnie kotwionej w gruncie jednorodnym niespoistym. Obliczenia numeryczne wykonano metodą podpór sprężysto-plastycznych i metodą elementów skończonych. Zwrócono uwagę na istotne różnice w wynikach obliczeń. Zaproponowano wyjaśnienie przyczyn zaobserwowanych różnic w wynikach obliczeń otrzymanych z obu metod.
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Efficient calculation of the resonant frequencies of a SIW resonator with FDFD-based macromodel algorithm
PublicationW pracy przedstawiono efektywną metodę do analizy struktur ze integrowanym podłożem (SIW). W celu szybkiego obliczenia częstotliwości rezonansowych używany jest algorytm FDFD z zaimplementowanymi makromodelami.
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THE PROBLEM OF THE CALCULATION OF THE FREQUENCY OF DIAGNOSTIC EXAMINATIONS BASED ON DEVICE’S PROPER OPERATION TIME
PublicationThe paper presents the proposal to apply the normal distribution to solve the problem of the frequency of diagnostic tests. Particular emphasis is placed on simplicity of the method. This method may be useful for the average user technical system. The method reduces the number of assumptions to a minimum. The results do not raise of serious doubts but they require verification of course.
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A calculation proposal of labour time input when concreting in difficult atmospheric conditions
PublicationThe paper presents a selected proposal of establishing labour input in concreting jobs carried out in difficult atmospheric conditions.
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Calculation of lead settlement curve based on CPT test results and Auger Piles.
PublicationPrzedstawiono wykorzystanie wyników statycznego sondowania CPT do określenia pełnej krzywej osiadania, aż do obciążenia granicznego. Wykorzystano wyniki badań statycznych dla 23 wierconych pali wielkośrednicowych. Przedstawiono zależności korelacyjne bazujące na analizie statystycznej.
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Efficient model order reduction for FEM analysis of waveguide structures and resonators
PublicationAn efficient model order reduction method for three-dimensional Finite Element Method (FEM) analysis of waveguide structures is proposed. The method is based on the Efficient Modal Order Reduction (ENOR) algorithm for creating macro-elements in cascaded subdomains. The resulting macro-elements are represented by very compact submatrices, leading to significant reduction of the overall number of unknowns. The efficiency of the model...
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Non-linear circuit model of a single doubly-fed induction machine formulated in natural axes for drive systems simulation purposes
PublicationMathematical modelling and a circuit model formulated in natural axes of a single doubly-fed induction machine, with the account of magnetic circuit nonlinearity are presented in the paper. Derivation of the model differential equations was based on Lagrange's energy method. State functions of magnetic elements in the model are non-linear and depend on all currents flowing in the machine windings and on the angle of rotor position....
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublicationIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Modelling tunnelling-induced deformation in stiff soils with a hyperelastic–plastic anisotropic model
PublicationIn this paper, the tunnelling-induced deformation in anisotropic stiff soils is analysed using FE modelling. The influence of material description is investigated rather than an advanced simulation of the tunnelling method. A new hyperelastic– plastic model is proposed to describe the anisotropic mechanical behaviour of stiff highly overconsolidated soil. This model can reproduce the superposition of variable stress-induced anisotropy...
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Analytical method for calculation of heat source temperature drop for the Organic Rankine Cycle application
PublicationIn the paper presented are considerations on the cooperation of the limited capacity heat source with the Organic Rankine Cycle unit. Usually the heat source providing thermal energy to the Organic Rankine Cycle (ORC) may have twofold characteristics. It can be in the form of a single phase fluid, i.e. as hot exhaust gas or hot liquid, or in some cases it may be available as a phase changing fluid, as for example, technological...
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Proposal of frequency‐based decomposition approach for minimization of errors in surface texture parameter calculation
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Influence of effective width of flange on calculation and reinforcement dimensioning of beam of reinforced concrete frame
PublicationThe paper analyses the influence of modelling the cross-section of a beam in two-storey reinforced concrete frame of industrial warehouse with dimensions: 18.0 m × 32.0 m using bar elements on the results of bending moments, the value of elastic deflection and the dimensioning of reinforcement due to bending. Six options were considered: a beam as a rectangular section and five T-beam variants with different definitions of effective...
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Improved calculation of damage due creep by more accurate time to rupture data representation
PublicationReguła Robinsona (Linear Life Fraction Damage Rule) jest stosunkowo łatwa w użyciu dla różnorodnych warunków obciążenia. Z tego powodu jest ona powszechnie akceptowana i używana. Potencjalne możliwości poprawy dokładności obliczeń tą metodą daje zastosowanie specjalnych funkcji do aproksymacji wyników badań wytrzymałości czasowej. W pracy zaproponowano zastosowanie funkcji typu Spline oraz bardzo elastycznej funkcji Spline3D do...
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Theoretical calculation of pKas of phosphoric (V) acidin the polarisable continuum and cluster-continuum models
PublicationW pracy oceniono dokładność modelu polaryzowalnego kontinuum (PCM) i mieszanego modelu klaster-kontinuum do przewidywania wartości trzech kolejnych stałych dysocjacji kwasu fosforowego (V). Obliczenia PCM na poziomie MP2/6-31+G(d,p) odtwarzają wartość pierwszego pKa z rozsądną niepewnością, jednak wartości kolejnych pKa obarczone są bardzo dużym błędem, nawet po podniesieniu poziomu teorii do metody zespolonej G3B3. Dopiero obliczenia...
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Simplified method of applying loads to flat slab floor structural model
PublicationThe article analyses the impact of the live load position on the surface of a reinforced concrete flat slab floor of 32.0 m × 28.8 m. Four variants of a live load position are investigated: located on the entire concrete slab, set in a chessboard pattern, applied by bands and imposed separately in each of the slab panels. Conclusions are drawn upon differences in bending moments, the time of calculation and the size of output files....
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Calculation of Induced Sheath Voltages in Power Cables – Single Circuit System versus Double Circuit System
PublicationThis paper presents comparison of values of induced sheath voltages in power cable metallic sheaths when one or two cables per phase are used. Calculation of voltages is performed for various phase sequences of the power cables. Three types of the sheaths bonding and earthing are considered. Shock hazard and voltage stress of non-metallic outer sheath of cables are evaluated. The proposed, optimal configuration of the power cable...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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A method to assess transverse vibration energy of ship propeller shaft for diagnostic purposes
PublicationThe article discusses a key problem of ship propulsion system vibration diagnostics, which concerns assessing this part of mechanical energy transmitted from the main engine to the ship propeller which is dissipated due to propeller shaft vibration. A simplified calculation model is proposed which allows the total energy of the generated torsional vibration to be assessed from the shaft deflection amplitude measured at the mind-span...
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Risk of incorrect pass-fail decisions associated with assessment uncertainty
PublicationA mathematical framework for calculation teacher's and student's risks of incorrect pass-fail decisions under uncertainty of assessment, is presented. The probabilistic model of assessment process is adapted from interdisciplinary probabilistic theory of measurement.
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Application of an extended DLVO theory for the calculation of the interactions between emulsified oil droplets in alcohol solutions
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Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublicationACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
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Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones
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Absolute Configuration Determination by Quantum Mechanical Calculation of Chiroptical Spectra: Basics and Applications to Fungal Metabolites
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A semi-empirical method for calculation of heat transfer coefficient in flow boiling for conventional tubes and minichannels
PublicationW pracy przedstawiono zagadnienia które należy uwzględnić podczas modelowania wymiany ciepła z wrzeniem w przepływie w kanałach o małej średnicy. Uzyskano dobrą zgodność z wynikami badań eksperymentalnych.
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A semi-empirical method for calculation of heat transfer coefficient in flow boiling for conventional tubes and minichannels
PublicationW pracy przedstawiono zagadnienia któe należy uwzględnić podczas modelowania wymiany ciepła z wrzeniem w przepływie w kanałach o małej średnicy. Uzyskano dobrą zgodność z wynikami badań eksperymentalnych.
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A new duty cycles calculation method in pulse width modulation for direct matrix converters based on the shape function concept
PublicationPaper presents a new approach to duty cycle calculation in pulse width modulation for direct matrix converters. The essence of the proposed method is the use of elementary shape function of finite element. The algorithm for calculating the duty cycles was reduced to simple operations on the coordinates of input and output voltage vectors without trigonometric functions.
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Characteristics of Propagation Conditions in the Container Terminal Environment
PublicationIn the paper a characteristics of propagation conditions in the container terminal environment is presented. The investigated environment is characterized on the example of Gdansk Deepwater Container Terminal in Poland. An empirical propagation model for path loss calculation in mobile radio links in a container terminal environment is presented.
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Comparative Analysis of MicroRNA-Target Gene Interaction Prediction Algorithms Based on Integrated P-Value Calculation
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The impact of surface slope and calculation resolution on the fractal dimension for fractures of steels after bending-torsion fatigue
PublicationThe article presents the results of the fractal dimension measurements on the fatigue fracture surfaces of 10HNAP and S355J2 steels specimens after combined bending-torsion fatigue. For smooth and ring-notched specimens, three loading conditions were analyzed: (1) bending; (2) bending-torsion; and (3) torsion fatigue. Post-failure surface topography measurements were carried out on the entire fracture surfaces using an optical...
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Implementation of magnitude calculation of complex numbers using improved alpha max plus beta min algorithm
PublicationThe paper presents the hardware implementation of the improved alpha max plus beta min algorithm for calculating the magnitude of complex numbers. This version of the algorithm requires the general division which is performed using a noniterative multiplicative division algorithm. We analyze in detail the division algorithm, its error and the impact of finite word-length signal representations on the assumed total computation error....
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Bearing capacity of piles based on static load tests and calculation principles provided by EN 1997-1
PublicationW artykule scharakteryzowano i przeanalizowano ogólne zalecenia Eurokodu 7 dotyczące wyznaczania nośności pali na podstawie próbnych obciążeń statycznych. Porównano je z zaleceniami dotychczasowej polskiej normy PN-83/B-02482. Przedstawiono kilka przykładów interpretacji rzeczywistych wyników próbnych obciążeń pali według zaleceń wyżej wymienionych dwóch norm wraz z analizą porównawczą.
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Calculation of the standard potentials of the dithiocarbamate/thiuram disulfide redox system via thermochemical cycles and computational electrochemistry .
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Logistical Aspects of Energy Conversion Efficiency in Marine Steam Power Plants in Off-Design Conditions
PublicationThe paper presents logistical aspects of energy conversion efficiency in off-design conditions. The main part of the article is based on results of thermodynamic calculation for large propulsion steam turbine under partial loads. Calculations are made on extended mathematical model of two proposed steam turbine thermodynamic cycles using Stodola’s cone law. The conclusion based on calculation re-sults contains importance of off-design...
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Selected problems of experimental investigation of dynamically loaded journal bearings
PublicationIn the paper some problems concerning relations between external bearing loadings and critical lining stresses are described for test stand with rotating load vector. According to the standard ISO 7905/1 this type of test stand, for dynamically loaded slide bearing, is recommended as a basic research unit for material testing in a complete bearing unit. The lining stress calculation results occurred being dependent on applied calculation...
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Cutting model parameters from frame sawing of natural and impregnated Scots pine (Pinus sylvestris L.)
PublicationIn this paper, absolute and density normalized cutting model parameters of natural and impregnated Scots pine (Pinus sylvestris L.) are shown and a method for the calculation of their corresponding material properties in the principal material directions of wood is presented. The parameters were determined from measurements of cutting power on a sash gang saw, and are in detail the fracture toughness and the shear yield strength...