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Search results for: j-matrix method
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Application of the J-matrix method to multichannel scattering
PublicationIn this contribution we describe the multichannel extension to the nonrelativistic J-matrix method, and present differential cross sections for scattering of slow electrons from Argon atoms. Nonrelativistic phase shifts, then the S-matrix and the cross sections have been calculated using newly developed Fortran code, JMATRIX-MULTI.We applied the model Hartree-Fock potential as the scattering potential, which was truncated in the...
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JMATRIX - a package for relativistic J-matrix calculations in elastic scattering of electrons from model potentials
PublicationWe present a software package JMATRIX, consisting of two computer codes written in FORTRAN 95 and parallelized with OpenMP, implementing the so-called J-matrix method, applied to elastic scattering of electrons on the radial potential, vanishing faster than Coulomb one. In the J-matrix method, physical scattering problem is replaced by using well-defined model, which is solved analytically. Presented software implements both non-relativistic...
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OpenGL accelerated method of the material matrix generation for FDTD simulations
PublicationThis paper presents the accelerated technique of the material matrix generation from CAD models utilized by the finite-difference time-domain (FDTD) simulators. To achieve high performance of these computations, the parallel-processing power of a graphics processing unit was employed with the use of the OpenGL library. The method was integrated with the developed FDTD solver, providing approximately five-fold speedup of the material...
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General quasilinearization method for systems of differential equations with a singular matrix
PublicationStosując metodę kwazilinearyzacji badano problem rozwiązań przybliżonych dla układów równań różniczkowych z macierzą osobliwą. Pokazano zbieżność kwadratową odpowiednich ciągów monotonicznych.
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Efficient Fabry-Perot Open Resonator Analysis by the use of a Scattering Matrix Method
PublicationIn this paper a comparative study of the computational efficiency of two modeling methods applied to the analysis of the plano- and double-concave Fabry-Perot open resonators is presented. In both numerical approaches, a scattering matrix method was applied, which allows splitting the analysis of the resonator into several sections, including the one with a spherical mirror, which requires the largest computing resources. Two modeling...
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Matrix-based robust joint fingerprinting and decryption method for multicast distribution of multimedia
PublicationThis paper addresses the problem of unauthorized redistribution of multimedia content by malicious users (pirates). The solution proposed here is a new joint fingerprinting and decryption method which meets the requirements for both imperceptibility and robustness of fingerprints and scalability in terms of design and distribution of fingerprinted multimedia content. The proposed method uses a simple block cipher based on matrix...
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Paraffin-Embedded Tissue as a Novel Matrix in Metabolomics Study: Optimization of Metabolite Extraction Method
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Accelerated Monte Carlo method for computation of photon migration by matrix description of photon direction
PublicationPrzedstawiono metodę obliczeń dyfuzji fotonów w materiałach silnie rozpraszających, będącą modyfikacją metody Monte Carlo. Modyfikacja ta polega na zastąpieniu wektorowego opisu kierunku propagacji fotonów poprzez opis macierzowy, co pozwala na około 5% redukcję czasu obliczeń na komputerach z jednopotokowym przetwarzaniem zmiennopozycyjnym lub większą w wypadku wielopotokowego przetwarzania.
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Non-Linear Analysis of Structures Utilizing Load-Discretization of Stiffness Matrix Method with Coordinate Update
PublicationThis paper proposes a stiffness method based structural analysis algorithm for geometrically non-linear structures. In this study, the applied load on the joints has been discretized to a sequence of a few loadings applied. Each loading step produces incremental external nodal displacements, which are added to the corresponding coordinates to get a new geometrical shape of the structure. This process is iteratively repeated until...
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Silica-Polyethylene Glycol Matrix Synthesis by Sol-Gel Method and Evaluation for Diclofenac Diethyloammonium Release
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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublicationThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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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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Optical method supported by machine learning for dynamics of C‐reactive protein concentrations changes detection in biological matrix samples
PublicationIn this article we present the novel spectroscopy method supported with machine learning for real-time detection of infectious agents in wastewater. In the case of infectious diseases, wastewater monitoring can be used to detect the presence of inflammation biomarkers, such as the proposed C-reactive protein, for monitoring inflammatory conditions and mass screening during epidemics for early detection in communities of concern,...
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Effect of mixing method and particle size on hardness and compressive strength of aluminium based metal matrix composite prepared through powder metallurgy route
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Can matrix solid phase dispersion (MSPD) be more simplified? Application of solventless MSPD sample preparation method for GC–MS and GC–FID analysis of plant essential oil components
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Application of computer assisted modified coupled mode method for the design of polarimetric sensors. Optical Fibres and Their Applications VIII. Białowieża 23-26 stycznia 2002. Ed. J. Dorosz, R.S. Romaniuk. Wykorzystanie zmodyfikowanej metody modów sprzężonych wspomaganej komputerem do projektowania sensorów polarymetrycznych.
PublicationW pracy przedstawiono rozszerzenie zmodyfikowanej metody modów sprzężonych,dzięki, któremu możliwe jest modelowanie szerokiej klasy światłowodów poddanych jednoczesnemu działaniu wielu zaburzeń. W metodzie tej dokonuje się numerycznego rozwiązania równania modów sprzężonych, w wyniku czego możliwa jest analiza przypadków, w których współczynniki sprzężenia modów nie są stałe wzdłuż światłowodu. W wyniku umiejętnej modyfikacji...
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Alternative methods for dark fermentation course analysis
PublicationDark fermentation course analysis is crucial, as complexed matrix of gaseous components may be formed and revealed during the process. The paper considers key issues related to the microbiological process in which complex organic substances are transformed into hydrogen. For the purposes of hydrogen generation, the application of wastewater mixed sludge pre-treated according to Faloye method (Faloye et al. in Int J Hydrog Energy...
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Low energy inelastic electron scattering from carbon monoxide: I. excitation of the a3Π, a’3Σ+ and AΠ1 electronic states.
PublicationDifferential scattering cross sections for electron excitation of the three lowest excited electron states of carbon monoxide are obtained experimentally using low-energy electron energy-loss spectroscopy and theoretically using the R-matrix method. The incident electron energies range from near-threshold of 6.3 eV to 20 eV. Experimental scattering angles range from 20◦ to 120◦. The normalization of the experimental cross sections...
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Low energy inelastic electron scattering from carbon monoxide: II. Excitation of the b3Σ+, j3Σ+, B1Σ+, C1Σ+ and E1Π Rydberg electronic states
PublicationIn this second part of a two part paper (first part: Zawadzki et al (2020 J. Phys. B: At. Mol. Opt. Phys. 53 165201)) we present differential scattering cross sections for excitation of several Rydberg electronic states of carbon monoxide by electron impact. The first part concerned the low-lying valence states of CO. In the present study cross sections are obtained experimentally using low-energy electron energy-loss spectroscopy...
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Low-energy positron collisions with water: elastic and rotationally inelastic scattering
PublicationDifferential, integral and momentum transfer cross sections for the vibrationally elastic and rotationally inelastic scattering of positrons from water at low collision energy (E ≤ 10 eV) are reported. Several models within the R-matrix method are used to compute the body-fixed T-matrices, while the scattering calculations are performed within the fixed-nuclei approximation corrected with the standard Born-closure formula. These...
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A reliable synthesis of discrete-time H-inf control. Part I: basic theorems and J-lossless conjugators
PublicationThe paper gives a basis for solving many problems of numerically reliable synthesis of sub-optimal discrete-time control in H-inf. The approach is based on J-lossless factorisation of the delta-domain chain-scattering description of continuous-time plants being controlled. Relevant properties of poles and zeroes of chain-scattering models are given. Necessary and sufficient conditions for the existence of stabilising J-lossless...
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Two-step mechanism of J-domain action in driving Hsp70 function
PublicationJ-domain proteins (JDPs), obligatory Hsp70 cochaperones, play critical roles in protein homeostasis. They promote key allosteric transitions that stabilize Hsp70 interaction with substrate polypeptides upon hydrolysis of its bound ATP. Although a recent crystal structure revealed the physical mode of interaction between a J-domain and an Hsp70, the structural and dynamic consequences of J-domain action once bound and how Hsp70s...
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Note on the variance of the sum of gaussian functonals
PublicationDowodzi się oszacowania wariancji sum funkcjonałów losowych, konstruowanych dla zależnego ciągu gaussowskiego.Let (Xi; i = 1; 2; : : :) be a Gaussian sequence with Xi 2 N(0; 1) for each i and suppose its correlation matrix R = (ij)i;j1 is the matrix of some linear operator R : l2 ! l2. Then for fi 2 L 2(), i = 1; 2; : : : ; where is the standard normal distribution, we estimate the variation of the sum of the Gaussian functionals...
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Grabe J.:Recommendations of the "Committee for Waterfront Structures Harbours and Waterways" EAU 2012
PublicationRecenzja - Grabe J.: Recommendations of the "Committee for Waterfront Structures Harbours and Waterways" EAU 2012. Ernst & Sohn, Berlin 2015
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A new open-source software developed for numerical simulations usingdiscrete modeling methods
PublicationThe purpose of this work is to present the development of an open-source software based on a discrete description of matter applied to study the behavior of geomaterials. This software uses Object Oriented Programming techniques, and its methodology design uses three different methods, which are the Discrete Element Method (DEM) [F. Donzé, S.A. Magnier, Formulation of a three-dimensional numerical model of brittle behavior, Geophys....
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Analysis of Reconstituted Tripartite Complex Supports Avidity-based Recruitment of Hsp70 by Substrate Bound J-domain Protein
PublicationHsp70 are ubiquitous, versatile molecular chaperones that cyclically interact with substrate protein(s). The initial step requires synergistic interaction of a substrate and a J-domain protein (JDP) cochaperone, via its J-domain, with Hsp70 to stimulate hydrolysis of its bound ATP. This hydrolysis drives conformational changes in Hsp70 that stabilize substrate binding. However, because of the transient nature of substrate and JDP...
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Entropy of water calculated from harmonic approximation: estimation of the accuracy of method
PublicationSome molecular dynamics simulations were performed for liquid TIP4P and SPC water at a constant density (1.00 g/cm(3)) and within the temperature range of 5-90 degrees C. By using harmonic approximation, both the entropy of water S-H and the specific heat c(v) were calculated, and the results were compared to literature data. It was found that harmonic approximation overestimates absolute entropy of TIP4P water by 5.6 J/mol K (similar...
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Dissociative electron attachment to benzoic acid (C7H6O2)
PublicationThe dissociative electron attachment (DEA) to benzoic acid (C6H5COOH) has been studied using an experimental crossed beam setup of a quadrupole mass spectrometer and a trochoidal electron monochromator. Relative partial cross sections for the DEA to produce negative ion fragments show the main channels for dissociation. The comparison of the present results with the ultraviolet photoelectron spectrum of benzoic acid [J. Meeks,...
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Geier R., Angelmaier V., Gaubner C.-A., Kohoutek J.: Integrale Brücken. Entwurf, Berechnung, Ausführung, Monitoring
PublicationGeier R., Angelmaier V., Gaubner C.-A., Kohoutek J.: Integrale Brücken. Entwurf, Berechnung, Ausführung, Monitoring. Ernst & Sohn, Berlin 2017.
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Dr hab. inż. Roman J. Wasielewski prof. nadzw. PG (1951-2012) - Wspomnienie
PublicationPrzedstawiono sylwetkę naukową zmarłego prof. nadzw. PG dr hab. inż. Romana J. Wasielewskiego, długoletniego pracownika Wydziału Mechanicznego PG. Profesor Roman Wasielewski był kontynuatorem długoletnich tradycji naukowych z zakresu mechanicznej technologii drewna.
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Eu3+ doped tellurite glass ceramics containing SrF2 nanocrystals: Preparation, structure and luminescence properties
PublicationEu3+ doped tellurite glass ceramics containing SrF2 nanocrystals were prepared using melt quenching technique and subsequent heat treatment of glass in 370 °C for different time periods. Thermal properties of glass matrix have been determined based on DSC measurements. XRD and XPS results confirmed formation of SrF2 nanocrystals in glass matrices after annealing at 370 °C. FTIR studies revealed absorption bands in the range of...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublicationThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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Effect of plasma sprayed and laser re-melted Al2O3 coatings on hardness and wear properties of stainless steel
PublicationCommercially available austenic stainless steel substrate was coated with commercially available, raw Al2O3 powder applied by means of plasma spraying method and then re-melted with CO2 laser beam of various parameters. Tribological and mechanical properties of the 120 J/mm and 160 J/mm laser re-melted coatings were compared with the tribological and mechanical properties of the “as-sprayed” coating. The influence of the laser...
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About the Noether’s theorem for fractional Lagrangian systems and a generalization of the classical Jost method of proof
PublicationRecently, the fractional Noether's theorem derived by G. Frederico and D.F.M. Torres in [10] was proved to be wrong by R.A.C. Ferreira and A.B. Malinowska in (see [7]) using a counterexample and doubts are stated about the validity of other Noether's type Theorem, in particular ([9],Theorem 32). However, the counterexample does not explain why and where the proof given in [10] does not work. In this paper, we make a detailed analysis...
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The use of a one-step PCR method for the identification of Microsporum canis and Trichophyton mentagrophytes infection of pets
PublicationIntroduction: Dermatophytes are a closely related group of keratinophilic fungi. They encompass important etiological agents of superficial fungal infections. These fungi are able to invade keratinized tissues of humans and animals, causing dermatophytosis (ringworm) of hair, nails or skin. The aim: Traditional diagnostics of ringworm is based on morphological identification of cultured fungi and is time-consuming. Materials and methods:...
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Pumping effect measured by PIV method in multi-layer spike electrode EHD device for air cleaning
PublicationDust particles can be harmful for human health when inhaled. Especially dangerous are submicron dust particles, which can contain traces of toxic elements and can easily penetrate into human respiratory system. Thus, new devices for air cleaning are needed. In this work the flow velocity field patterns measured by Particle Image Velocimetry (PIV) method in an electrohydrodynamic (EHD) device for air cleaning are presented. The...
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Kinetics of the Organic Compounds and Ammonium Nitrogen Electrochemical Oxidation in Landfill Leachates at Boron-Doped Diamond Anodes
PublicationElectrochemical oxidation (EO) of organic compounds and ammonium in the complex matrix of landfill leachates (LLs) was investigated using three different boron-doped diamond electrodes produced on silicon substrate (BDD/Si)(levels of boron doping [B]/[C] = 500, 10,000, and 15,000 ppm—0.5 k; 10 k, and 15 k, respectively) during 8-h tests. The LLs were collected from an old landfill in the Pomerania region (Northern Poland) and were...
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Marek J. Siemek and His Interpretation of the Idea of Transcendentalism
PublicationThe paper discusses in a concise manner and critical intent Marek J. Siemek’s conception of transcendental philosophy. Firstly, theory of knowledge does not belong to the epistemic level of reflection (Siemek’s stance) but it is precisely the other way around; namely, it is due to transcendental philosophy (critique of cognitive faculties) that it was possible to distinguish metaphysical, ontological and epistemological questions....
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Photochemical and thermal reaction of intermediates in the phenylnitrene rearangment inside a hemicarcerand
PublicationBroadband irradiation (λ > 320 nm) of hemicarceplex H1 between −74 °C and −84 °C, produces encapsulated didehydroazepine (2), triplet phenylnitrene (3PN), 2-azabicyclo[3.2.0]hepta-1,3,6-triene (6), and 4-azaspiro[2.4]hepta-1,4,6-triene (7). The highly strained anti-Bredt imine 6 is formed from 2 via a photochemical four-electron electrocyclization. Under the irradiation conditions, 6 rearranges further to azaspirene 7. In addition,...
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The ONETEP linear-scaling density functional theory program
PublicationWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Synthesis and physical properties of the 10.6 K ferromagnet NdIr3
PublicationThe magnetic, transport, and thermodynamic properties of NdIr3 are reported. Its PuNi3-type crystal structure (space group R−3m), with lattice parameters a= 5.3262(1)Å and c=26.2218(3)Å, was confirmed by powder x-ray diffraction. Our measurements indicate that NdIr3 exhibits a previously unreported paramagnetic to ferromagnetic phase transition below TC=10.6 K(determined by using the Arrott plot). The magnetic susceptibility obeys...
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Dyskretno-ciągła metoda modelowania układów dynamicznych
PublicationW artykule przedstawiono oryginalną metodę modelowania układów dyskretno-ciągłych. Metoda polega na dyskretyzowaniu układu trójwymiarowego jedynie w dwóch wybranych kierunkach. W trzecim z kierunków układ pozostaje ciągły. Otrzymany w ten sposób model jest modelem dyskretno-ciągłym. Opisany jest za pomocą równań różniczkowych cząstkowych. Ogólne równania różnicowe układu dyskretnego otrzymano, wykorzystując metodę sztywnych elementów...
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Heat treatment effect on Eu3+ doped TeO2-BaO-Bi2O3 glass systems with Ag nanoparticles.
PublicationGlass systems of 73TeO2-4BaO-3Bi2O3-2Eu2O3-xAg ( in molar ratio where x= 0, 1, 2, 3) compositions have been successfully synthesized. Silver nanoparticles were obtained with the employment of heat treatment (HT) procedure executed at 350 °C. Glass transition temperatures of different compositions have been determined through DSC measurements. XRD measurement results presented characteristic amorphous halo indicating lack of long...
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A J-lossless coprime factorisation approach to H control in delta domain
PublicationPraca dotyczy sterowania wielowymiarowym obiektem dynamicznym czasu ciągłego opisanym dyskretnoczasowym modelem w przestrzeni stanu, przy założeniu, że wskaźnik jakości sterowania oparty jest na normie H-inf. Odpowiednie zadanie optymalizacji tego wskaźnika rozwiązuje się, stosując tak zwaną względnie pierwszą J-bezstratną faktoryzację modelu sterowanego. Pokazano, że synteza optymalnego sterownika, wymagająca rozwiązania dwóch...
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Better polynomial algorithms for scheduling unit-length jobs with bipartite incompatibility graphs on uniform machines
PublicationThe goal of this paper is to explore and to provide tools for the investigation of the problems of unit-length scheduling of incompatible jobs on uniform machines. We present two new algorithms that are a significant improvement over the known algorithms. The first one is Algorithm 2 which is 2-approximate for the problem Qm|p j = 1, G = bisubquartic|Cmax . The second one is Algorithm 3 which is 4-approximate for the problem Qm|p...
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Electron-impact ionization cross section of formic acid
PublicationExperimental electron-impact ionization cross sections of one of the simplest carboxylic acids, formic acid, are presented. The molecular target was studied in two independent experimental setups applying different methods: the total ion collection and the electron–impact mass spectrometry methods. Experimental data were taken at incident electron energies ranging from ionization threshold [11.31 eV; J.C. Traeger, Int. J. Mass...
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Architekci malują, plener i nie tylko
PublicationJ. Krenz, autorski cykl 4 akwarel: Abstraktyzacja krajobrazu
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The influence of the thickness, recombination and space charge on the loss of photocurrent in organic semiconductors: an analytical model
PublicationWe propose an analytical model of the photocurrent efficiency dependence on the light intensity in organic semiconductors. The influence of the thickness of sample, space charge effects and recombination of charge on the loss of photocurrent has been considered. We demonstrate that the presented model is the enhancement of an analytical model reported recently by Rappaport et al (2005 J. Appl. Phys. 98 033714). The method to identify...
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Ideologia w ogrodzie, przyrodzie i krajobrazie
Publicationautorka podejmuje próbę prześledzenia oddziaływania rozmaitych ideologii na sposób postrzegania przyrody, ogrodów i krajobrazu. dociekania rozpoczyna od xvii wieku, od związku ogrodów geometrycznych z francuskim absolutyzmem (wersal), następnie omawia wpływ brytyjskiej myśli liberalnej na ideę ogrodu swobodnego (j. addison i partia wigów), rozważa zależność pomiędzy ideałem wolności a sposobem rozumienia roli przyrody w czasie...
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Numerically robust synthesis of discrete-time H-inf estimators based on dual J-lossless factorisations.
PublicationW pracy przedstawiono numerycznie stabilną metodę syntezy liniowych estymatorów stanu optymalnych ze względu na wymagania formułowane w oparciu o normę H-inf. Wykorzystano dualną J-bezstratną faktoryzację macierzy rozproszenia estymowanego procesu czasu dyskretnego. Badano numeryczne uwarunkowanie odpowiednich równań Riccatiego. W szczególności pokazano, że dla dostatecznie małych wartości okresu próbkowania zadanie syntezy dotyczące...