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Search results for: basis set optimisation
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublicationIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which leads to one equation similar to the Euler beam theory and also is free of any shear correction factor. The equilibrium equation has been...
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublicationIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which lead to one equation similar to Euler beam theory and also is free of any shear correction factor. The...
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Application of Particle Image Velocimetry method for monitoring the volume changes during silo flow on the basis of X-radiographs
PublicationW artykule przedstawiono wyniki badań nad zastosowaniem techniki pomiarowej PIV (Particle Image Velocimetry) do analizy zmian objętościowych zachodzących w materiale sypkim w czasie opróżniania silosu prostokątnego. Jako mateirły do analizy wykorzystano cyfrowe radiografy uzyskane z kontynualnej rejestracji z użyciem systemu tomografii promieni X. Szcególny nacisk położono na analizę zmian objętościowych zachodzącyh w kanale przepływu.
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Method of reconstructing two-dimensional velocity fields on the basis of temperature field values measured with a thermal imaging camera
PublicationThis paper describes a novel numerical reconstruction procedure (NRP) of the velocity field during natural convective heat transfer from a two-sided, isothermal, heated vertical plate based only on the known temperature field obtained, e.g. with a thermal imaging camera. It has been demonstrated that with a knowledge of temperature distributions, the NRP enables the reconstruction of velocity fields by solving the Navier-Stokes...
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Quest for the Molecular Basis of Improved Selective Toxicity of All-Trans Isomers of Aromatic Heptaene Macrolide Antifungal Antibiotics
PublicationThree aromatic heptaene macrolide antifungal antibiotics, Candicidin D, Partricin A (Gedamycin) and Partricin B (Vacidin) were subjected to controlled cis-trans to all trans photochemical isomerization. The obtained all-trans isomers demonstrated substantially improved in vitro selective toxicity in the Candida albicans cells: human erythrocytes model. This effect was mainly due to the diminished hemotoxicity. The molecular modeling...
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Optimisation of conditions for precipitation of collagen from solution using kappa-carrageenan. Studies on collagen from the skin of Baltic cod (Gadus morhua)
PublicationZbadano wpływ stężenia kolagenu (0,012-3%) wyekstrahowanego ze skór dorsza bałtyckiego (Gadus morhua) i stężenia kappa-karagenu w obecności NaCl (0-5%) na wydajność strącania włókien kolagenowych z roztworu przy pH 2,2-8. Stwierdzono, że wydajność strącania włókien jest wprost proporcjonalna do masowego stosunku kappa-karagen : kolagen w zakresie niższym od 0,4. Kolagen rozpuszczony w kwasie cytrynowym jest całkowicie strącony,...
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Application of MARKAL model to optimisation of electricity generation structure in Poland in the long-term time horizon. Part II. Model and forecasts assumptions
PublicationIn this paper, the next in a series of publications on the subject, assumptions are presented of a power system development model in terms of electricity generation technology infrastructure in Poland, in the long term perspective until 2060. The model is based on the mathematical structure of the MARKAL optimization package. Among other things developed are a forecast of the final demand for electricity and heat, the current...
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Towards a universal embedded-atom method: empirically adjusted and consistent set of atomic densities for all elements of the periodic table
PublicationModel atomu HFS został zmodyfikowany poprzez wyznaczenie indywidualnych parametrów αex dla atomów. Parametry αex wyznaczono w oparciu o energię jonizacji atomów. W oparciu o tak zmodyfikowaną metodę HFS wyznaczono rozkłady gęstości elektronów w atomach.
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Automatic music set organizatio based on mood of music / Automatyczna organizacja bazy muzycznej na podstawie nastroju muzyki
PublicationThis work is focused on an approach based on the emotional content of music and its automatic recognition. A vector of features describing emotional content of music was proposed. Additionally, a graphical model dedicated to the subjective evaluation of mood of music was created. A series of listening tests was carried out, and results were compared with automatic mood recognition employing SOM (Self Organizing Maps) and ANN (Artificial...
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Vibration surveillance during ball end milling of curved flexible details on a basis of assessment of assurance of the model of real object
PublicationW pracy przedstawiono nową metodę nadzorowania drgań podczas frezowania zakrzywionych przedmiotów podatnych. Wykorzystano model modalny przedmiotu obrabianego, którego parametry zidentyfikowano na bazie badań doświadczalnych oraz analizy komputerowej. Zastosowanie modelu metody elementów skończonych, którego zachowanie jest zgodne z przedmiotem uformowanym w postaci cienkościennej powierzchni półwalcowej, a następnie - utworzenie...
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Impact of pollution derived from ship wrecks on the marine environment on the basis of s/s ''Stuttgart'' (Polish coast, Europe)
PublicationW 1943 roku niemiecki statek szpitalny, s/s Stuttgart (Lazaretschiff ''C'') został zatopiony w pobliżu portu w Gdyni. Doprowadziło to do zanieczyszczenia dna morskiego paliwem. Podczas badań przeprowadzonych w 2009 r. pobranych zostało 11 próbek osadów powierzchniowych i wody morskiej oraz 4 rdzenie. Próbki poddano analizie na zawartość zanieczyszczeń priorytetowych należących do grupy wielopierścieniowych węglowodorów aromatycznych...
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Structural, thermal and energetic characteristics of synthetic active carbons prepared on the basis of ion-exchange resin Amberlite IRC 84
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IDENTIFICATION OF THE MOST ALIKE INTERGLACIAL PERIODS FROM THE LAST 600000 YEARS ON THE BASIS OF THE OXYGEN ISOTOPE CURVE (LR04 Δ18O)
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Softly switched robustly feasible mpc for constrained linear systems under set bounded uncertainty- LQ-MPC with IC action
PublicationNie jest możliwe efektywne sterowanie procesem w szerokim zakresie zmian warunków operacyjnych przy użyciu jednego uniwersalnego regulatora. W pracy zaproponowano koncepcję sposobu regulacji polegającego na przełączaniu wielu regulatorów uzależnionego od stanu operacyjnego systemu. Często twarde przełączanie regulatorów nie jest pożądane lub wręcz możliwe, alternatywą jest ich miękkie przełączanie. W pracy rozważany jest problem...
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Financial impact analysis of going public at the Warsaw Stock Exchange: Using Fuzzy Set Theory to understand behaviours of mature companies
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GRAPHICAL REPRESENTATION OF MUSIC SET BASED ON MOOD OF MUSIC. GRAFICZNA PREZENTACJA ZBIORU MUZYCZNEGO OPARTA NA ANOTACJI NASTROJU MUZYKI
PublicationOne of the features for music recommendation, which is useful and intuitive for music listen-ers, is “mood”. The paper presents an approach to graphical representation of mood of music pieces. Subjective evaluation based on listening tests is performed for assigning mood labels of 150 pieces of music and placing them on the 2D mood plane. As a result, a map of songs is created, where music excerpts with similar mood are organized...
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Analysis of the biological stability of tap water on the basis of risk analysis and parameters limiting the secondary growth of microorganisms in water distribution systems
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Assessment of cross compatibility of pear (Pyrus communis L.) cultivars on the basis of pollen tube observations and analysis of the S-RNase gene
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Molecular typing of Staphylococcus aureus isolated from cows with mastitis in the east of Poland on the basis of polymorphism of genes coding protein A and coagulase
PublicationPolimorfizm genów kodujących białko A i koagulazę wykorzystano do badania zmienności genetycznej bakterii Staphylococcus aureus wyizolowanych z gruczołów mlekowych krów u których stwierdzono stan zapalny. W badanej grupie 82 szczepów wyróżniono 24 genotypy.
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CHROMATOGRAPHIC TECHNIQUES IN PHARMACEUTICAL ANALYSIS IN POLAND: HISTORY AND THE PRESENCE ON THE BASIS OF PAPERS PUBLISHED IN SELECTED POLISH PHARMACEUTICAL JOURNALS IN XX CENTURY
PublicationFor a long time, chromatographic techniques and techniques related to them have stimulated the development of new procedures in the field of pharmaceutical analysis. The newly developed methods, characterized by improved metrological parameters, allow for more accurate testing of, among others, the composition of raw materials, intermediates and final products. The chromatographic techniques also enable studies on waste generated...
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Genetic diversity in natural populations of noble crayfish (Astacus astacusL.) in north-western Poland on the basis of combined SSR and AFLP data
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Verification of the method of reconstructing convective velocity fields on the basis of temperature fields in vertical, differential and equally heated, open and closed channels
PublicationThis paper describes a method of reconstructing velocity fields, i.e. a numerical reconstruction procedure (NRP) that involves the numerical processing of experimentally measured temperature distributions in free convection heat transfer. The NRP consists in solving only the continuity and Navier–Stokes equations with an additional source term. This term is proportional to a known temperature (e.g. from a thermal imaging camera)...
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Electric transport in organic system with planar DBP/F16ZnPc junction on the basis of direct current and small signal admittance spectra analysis
PublicationThe objective of this work was to determine electric transport in the organic device based on a planar junction of electron donor and electron acceptor materials, namely ITO/MoO3/DBP/F16ZnPc/BCP/Ag. The analysis reported herein was based on direct current-voltage measurements and small-signal admittance spectra in the dark and under illumination. Such analysis may provide information on potential barriers, parasitic resistances...
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Optimisation of pressurised liquid extraction for elimination of sulphur interferences during determination of organotin compounds in sulphur-rich sediments by gas chromatography with flame photometric detection
PublicationOpracowano metodę analizy osadów dennych na zawartość związków cynoorganicznych (MBT, DBT, TBT, MPhT, DPhT, TPhT) przy użyciu przyspieszonej ekstrakcji rozpuszczalnikiem i chromatografii gazowej z detektorem płomieniowo-fotometrycznym. Detektor ten pozwala selektywnie wykrywać niewielkie ilości pochodnych cynoorganicznych. Niestety, bardzo często spotykana w osadach siarka oraz jej pochodne zakłócają sygnał detektora. Z tego względu...
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Design and optimisation of combinational digital circuits using modified evolutionary algorithm.Projektowanie i optymalizacja kombinacyjnych układów cyfrowych przy użyciu zmodyfikowanego algorytmu ewolucyjnego.
PublicationW pracy przedstawiono możliwości projektowania i optymalizacji układów kombinacyjnych przy użyciu zmodyfikowanych algorytmów ewolucyjnych. Modyfikacja algorytmów polega na wprowadzeniu chromosomów wielowarstwowych i operatorów działających na nich. Wyniki projektowania czterech układów kombinacyjnych uzyskanych uzyskane tą metodą porównano z następującymi metodami opisanymi w literaturze jak: Mapy Karnaugh, metoda Quine-McCluskey...
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Effects of Acute Caffeine Intake on Power Output and Movement Velocity During a Multiple-Set Bench Press Exercise Among Mild Caffeine Users
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Simultaneous determination of hydrophobicity and dissociation constant for a large set of compounds by gradient reverse phase high performance liquid chromatography–mass spectrometry technique
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Effectiveness of either short-duration ischemic pre-conditioning, single-set high-resistance exercise, or their combination in potentiating bench press exercise performance
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Zagospodarowanie ciepła odpadowego z biogazowych agregatów kogeneracyjnych w oczyszczalni ścieków = Waste heat utilisation from cogeneration set in sewage plant
PublicationW pracy opisano koncepcję współpracy biogazowych modułów kogeneracyjnych z niskotemperaturowym obiegiem parowym. Proponowana modernizacja pozwoliłaby na wykorzystanie entalpii fizycznej spalin, tym samym zwiększając sprawność urządzeń wytwarzających ciepło i energię elektryczną. Tego typu rozwiązanie umożliwiłoby częściowe pokrycie zapotrzebowania własnego na energię elektryczną, generując oszczędności w przedsiębiorstwie. W artykule...
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Molecular basis of essentiality of early critical steps in the lipopolysaccharide biogenesis in Escherichia coli K-12: requirement of MsbA, cardiolipin, LpxL, LpxM and GcvB
PublicationTo identify the physiological factors that limit the growth of Escherichia coli K-12 strains synthesizing minimal lipopolysaccharide (LPS), we describe the first construction of strains devoid of the entire waa locus and concomitantly lacking all three acyltransferases (LpxL/LpxM/LpxP), synthesizing minimal lipid IVA derivatives with a restricted ability to grow at around 21 °C. Suppressors restoring growth up to 37 °C of Δ(gmhD-waaA)...
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Molecular basis of the low activity of antitumor anthracenediones, mitoxantrone and ametantrone, in oxygen radical generation catalyzed by NADH dehydrogenase. Enzymatic and molecular modelling studies
PublicationSyntetyczne antracenodionowe leki przeciwnowotworowe, w przeciwieństwie do antybiotyków antracyklinowych, charakteryzują się słabym wytwarzaniem wolnych rodników w układach z dehydrogenazą NADH. Wyniki prezentowane w artykule wskazują, że ani potencjał redukcyjny, ani konformacja łańcuchów bocznych, ani energie orbitali granicznych (LUMO i HOMO) nie determinują zdolności antracenedionów do stymulacji wytwarzania reaktywnych form...
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Anthrapyridones, a novel group of antitumour non-cross resistant anthraqui-none analogues. Synthesis and molecular basis of the cytotoxic activity towards K562/DOX cells
PublicationOpracowano syntezę nowej grupy związków z grupy antrapirydonów z odpowiednimi hydrofobowymi lub hydrofilowymi podstawnikami. Badano działanie tych związków na komórkach K562/S i K562/DOX (nadekspresja P-glikoproteiny). Stwierdzono, że zwiększenie lipofilowości zwiększa szybkość P-gp zależnego efluksu z komórki.
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Mutual Interaction between Temperature and DO Set Point on AOB and NOB Activity during Shortcut Nitrification in a Sequencing Batch Reactor in Terms of Energy Consumption Optimization
PublicationRecently, many wastewater treatment plants (WWTPs) have had to deal with serious problems related to the restrictive requirements regarding the euent quality, as well as significant energy consumption associated with it. In this situation, mainstream deammonification and/or shortened nitrification-denitrification via nitrite (so-called “nitrite shunt”) is a new promising strategy. This study shows the mechanisms and operating conditions...
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Identyfikacja parametrów zastępczego schematu elektrycznego krwiobiegu nerki na podstawie niepełnych danych pomiarowych : The parameters identification of the equivalent electric circuit of the kidney blood circulation basis on incomplete measuring date
PublicationW referacie przedstawiono metodę identyfikacji parametrów elektrycznego schematu zastępczego odwzorowującego przepływ krwi przez nerkę. Napięcie potraktowano jako sygnał wejściowy, któremu w hemodynamice odpowiada ciśnienie, natomiast prąd jako sygnał wyjściowy, któremu odpowiada przepływ krwi. Przebieg napięcia aproksymowano funkcją sklejaną w celu uproszczenia procedury pomiarowej i ograniczenia fluktuacji związanych z przebiegiem...
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Molecular basis of lipopolysaccharide heterogeneity in Escherichia coli: envelope stress-responsive regulators control the incorporation of glycoforms with a third 3-deoxy-α-D-manno-oct-2-ulosonic acid and rhamnose.
PublicationMass spectrometric analyses of lipopolysaccharide (LPS) from isogenic Escherichia coli strains with nonpolar mutations in the waa locus or overexpression of their cognate genes revealed that waaZ and waaS are the structural genes required for the incorporation of the third 3-deoxy-α-D-manno-oct-2-ulosonic acid (Kdo) linked to Kdo disaccharide and rhamnose, respectively. The incorporation of rhamnose requires prior sequential incorporation...
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Convenient identification of desulfoglucosinolates on the basis of mass spectra obtained during liquid chromatography-diode array-electrospray ionisation mass spectrometry analysis: Method verification for sprouts of different Brassicaceae species extracts
PublicationOver the past decade, glucosinolates (GLs) present in different tissues of Brassicaceae and their breakdown products, especially isothiocyanates formed after myrosinase catalyzed hydrolysis, have been regarded as not only environment friendly biopesticides for controlling soilborne pathogens, but most importantly as promising anticarcinogenic compounds. For these reasons, the identification and quantitative determination of the...
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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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Rozpoznawanie uszkodzeń w części przepływowej okrętowego turbinowego silnika spalinowego na podstawie wyników badania endoskopowego = Failures' recognising within the passages of a marine gas turbine engine on the basis of results of endoscopic investigation
PublicationThe paper deals with diagnostic issues concerning endoscopic examinations of marine gas turbine engines. There will be presented selected information about failures within the passages and accessible endoscopic methods and means enabling their detection. The author focuses on the endoscopic techniques and widely presents the possibilities of this quickly developed diagnostic method. There will be also presented representative results...
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Proton affinity and proton transfer energy for selected organic molecules
PublicationThe Hartree-Fock method in 6-311G** molecular orbitals basis set has been applied to calculations of proton affinities and proton transfer reaction energies for water, methanol, acetaldehyde, ethanol, acetone, acetic acid, methyl acetate and ethyl acetate.
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Influence of datasets decreased by applying reduction and generation methods on Digital Terrain Models
PublicationThe number of point clouds provided by LiDAR technology can be sometimes seen as a problem in development and further processing for given purposes (e.g. Digital Terrain Model (DTM) generation). Therefore, there is still a need to reduce the obtained big datasets. Reducing can be done, inter alia, by reducing the size of the set or by generating the set. This paper presents two variants of the reduction of point clouds in order...
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Optical method for verification of homogeneity of phantoms for calibration of magnetic resonance
PublicationThe primary purpose of this study was to develop a laboratory photonic set-up for characterisation of homogeneity of gel phantoms for calibration of magnetic resonance. In this system, optical coherence tomography allows the detection of micro- and macroscopic heterogeneities of a structure. The set-up was used to perform measurements of agar and agar-carrageenan gels, which are the basis for more complex phantoms for magnetic...
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A Subspace-Splitting Moment-Matching Model-Order Reduction Technique for Fast Wideband FEM Simulations of Microwave Structures
PublicationThis article describes a novel model-order reduction (MOR) approach for efficient wide frequency band finite-element method (FEM) simulations of microwave components. It relies on the splitting of the system transfer function into two components: a singular one that accounts for the in-band system poles and a regular part that has no in-band poles. In order to perform this splitting during the reduction process, the projection...
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Dynamic state assessment of the water turbine with the power of 600 kW
PublicationThe article discusses the results of experimental studies to assess the dynamic state of the turbine set with the Kaplan turbine. The dynamic assessment was made on the basis of appropriate standards, based on the measurement results of selected parameters of vibration, which have been measured for several states of the machine load. In addition, we attempted to identify the causes of the increased vibration levels based on the...
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Interaction of low energy electrons with formic acid monomer, dimer and trimer
PublicationConfigurations of the formic acid monomer, dimer and trimer are presented. We have calculated the total energies for these structures. We have considered also the negatively charged clusters and discussed the possible pathways of interaction of low energy electrons with monomers and clusters. Calculations have been executed using 6-311G** and 6-311++G** basis sets. The electron affinities of monomer and clusters are presented....
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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublicationThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
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Scattering From a Cylindrical Object of Arbitrary Cross Section With the Use of Field Matching Method
PublicationA simple and intuitive solution to scattering problems in shielded and open structures is presented. The main idea of the analysis is based on the direct field matching technique involving the usage of projection of the fields at the boundary on a fixed set of orthogonal basis functions. Different convex shapes and various obstacle materials are considered to verify the validity of the method in open and closed structures. The...
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Metody strojenia regulatorów typu PID z wykorzystaniem technologii syntezy regulatorów od stanu
PublicationUkłady sterujące typu PID są jednymi z najbardziej popularnych regulatorów wykorzystywanych w układach regulacji. W związku z tym znanych jest szereg metod doboru wartości ich parametrów (nastaw). Obok różnych metod inżynierskich czy analitycznych strojenia tego typu regulatorów, dostępne są również podejścia bazujące na optymalizacji. Wskaźnikiem jakości znajdującym w nich zastosowanie jest np. całka z kwadratu uchybu. W artykule...
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Ab initio study of formic acid monomer, dimer and trimer
PublicationConfigurations of the formic acid monomer, dimer and trimer are presented. The total energies for these structures have been calculated while the negatively charged clusters were considered and the possible pathways of interaction of low energy electrons with monomers and clusters were discussed. Calculations have been executed using 6-311 G** and 6-311 ++G** basis sets. The electron affinities of monomer and clusters are presented....
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The Doppler effect in a bistatic system for determining the position of moving targets
PublicationThe article presents the theoretical analysis and the results of numerical calculations of the Doppler effect it occurs in a system designed to determine the position and speed of a moving target. The transmitter is the source of the signal and it emits a sinusoidal, acoustic and continuous wave. Signal reflected off a moving target is received by four hydrophones. Based on the signals, four Doppler shifts are determined and inserted...
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Applications of Tensor Analysis in Continuum Mechanics
PublicationA tensor field is a tensor-valued function of position in space. The use of tensor fields allows us to present physical laws in a clear, compact form. A byproduct is a set of simple and clear rules for the representation of vector differential operators such as gradient, divergence, and Laplacian in curvilinear coordinate systems. The tensorial nature of a quantity permits us to formulate transformation rules for its components...