Filters
total: 1263
filtered: 1040
displaying 1000 best results Help
Search results for: DIPOLE-BOUND STATES
-
Four-body recombination in organic bulk heterojunction solar cells: an alternative interpretation
PublicationWe demonstrate a new interpretation of the previously reported quadrimolecular recombination in organic bulk heterojunction solar cells. It is suggested that the recently described (Szmytkowski 2012 Phys. Status Solidi RRL 6 300) interaction between exciton and electron–hole Langevin bound pair formed across the donor–acceptor interface is a four-particle process. This is in opposition to the treatment of this effect as a three-particle...
-
Integrating heterogeneous systems with high-dependability requirements by means of web services
PublicationWeb services are commonly used on boundaries of heterogeneous components in Service Oriented Architecture (SOA) as they provide a universal communication channel not bound to any particular programming language or run-time platform. This paper describes how web services can be used to integrate heterogeneous systems which serve purposes requiring high dependability, reliability and availability. Examples of such systems include...
-
Exploration of optical fibres as a carrier for new benzene and toluene matrix-free reference materials
PublicationTo meet high expectations concerning precision and accuracy of reference materials, preparation of matrixfree reference materials using thermal decomposition-gas chromatography-mass spectrometry (TD-GC-MS) was proposed in this study. In the paper, the results obtained in preparation of the new reference materials for benzene and toluene are presented, based on the thermal decomposition technique of compounds chemically bound to...
-
Fragmentation of Tetrahydrofuran Molecules by H+, C+, and O+ Collisions at the Incident Energy Range of 25–1000 eV
PublicationWe have studied fragmentation processes of the gas-phase tetrahydrofuran (THF) molecules in collisions with the H+, C+, and O+ cations. The collision energies have been varied between 25 and 1000 eV and thus covered a velocity range from 10 to 440 km/s. The following excited neutral fragments of THF have been observed: the atomic hydrogen H(n), n = 4–9, carbon atoms in the 2p3s 1P1, 2p4p 1D2, and 2p4p 3P states and vibrationally...
-
Stark effect of atomic helium singlet lines
PublicationWe present experimental and theoretical investigations of the He spectral series 2S1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) and 2P1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) in electric fields up to 1635 kV/cm. Apart from the allowed transitions with |ΔL|=1, the transitions with |ΔL|=0,2,3,…-without field strictly forbidden-were observed. Several He patterns become similar to hydrogen patterns, which means they are nearly symmetric and show in higher fields...
-
Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
PublicationRadiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...
-
Wave Method for Structural Health Monitoring: Testing Using Full-Scale Shake Table Experiment Data
PublicationAn algorithm of the wave method for structural health monitoring (SHM) is tested and calibrated using shake table experiment data of a full-scale, seven-story, reinforced-concrete building slice. The method is based on monitoring changes in the velocity of waves propagating vertically through the structure, identified by least-squares (LSQ) fit of beam models. The experiment was conducted by a team from the University of California,...
-
Quenching effects in organic electroluminescence
PublicationWe examine various electronic processes that underlie the quenching of the emission from highly efficient phosphorescent and electrophosphorescent organic solid-state molecular systems. As an example, we study the luminescent efficiencies from the phosphorescent iridium (III) complex, fac tris (2-phenylpyridine) iridium [(Ir (ppy)3] doped into a diamine derivative doped polycarbonate hole-transporting matrix and in the form...
-
In situ spectroelectrochemical and theoretical study on the oxidation of a 4H-imidazole-ruthenium dye adsorbed on nanocrystalline TiO2thin film electrodes
PublicationTerpyridine 4H-imidazole-ruthenium(ii) complexes are considered promising candidates for use as sensitizers in dye sensitized solar cells (DSSCs) by displaying broad absorption in the visible range, where the dominant absorption features are due to metal-to-ligand charge transfer (MLCT) transitions. The ruthenium(iii) intermediates resulting from photoinduced MLCT transitions are essential intermediates in the photoredox-cycle...
-
How to Design Affect-aware Educational Systems – the AFFINT Process Approach
PublicationComputer systems, that support learning processes, can adapt to the needs and states of a learner. The adaptation might directly address the knowledge deficits and most tutoring systems apply an adaptable learning path of that kind. Apart from a preliminary knowledge state, there are more factors, that influence education effectiveness and among those there are fluctuating emotional states. The tutoring systems may recognize or...
-
LABOUR SHARE IN THE DOMESTIC INCOME COMPARED TO DIFFERENT LABOUR MARKETS
PublicationThe purpose of this paper is to examine the changes in the share of labour in the domestic income in the years 1995-2010 in the Visegrád Group states, taking into account the level of development of the domestic labour markets. The study involves a review of the literature relating to the labour market issues, collecting sources and their use in the empirical part. The study used the induction method, the elements of descriptive...
-
Bifurcation of equilibrium forms of an elastic rod on a two-parameter Winkler foundation
PublicationWe consider two-parameter bifurcation of equilibrium states of an elastic rod on a deformable foundation. Our main theorem shows that bifurcation occurs if and only if the linearization of our problem has nontrivial solutions. In fact our proof, based on the concept of the Brouwer degree, gives more, namely that from each bifurcation point there branches off a continuum of solutions.
-
Design Space Reduction for Expedited Multi-Objective Design Optimization of Antennas in Highly-Dimensional Spaces
PublicationA surrogate-based technique for efficient multi-objective antenna optimization is discussed. Our approach exploits response surface approximation (RSA) model constructed from low-fidelity antenna model data (here, obtained through coarse-discretization electromagnetic simulations). The RSA model enables fast determination of the best available trade-offs between conflicting design goals. The cost of RSA model construction for multi-parameter...
-
Application of the Monte Carlo algorithm for solving volume integral equation in light scattering simulations
PublicationVarious numerical methods were proposed for analysis of the light scattering phenomenon. Important group of these methods is based on solving the volume integral equation describing the light scattering process. The popular method from this group is the discrete dipole approximation (DDA). DDA uses various numerical algorithms to solve the discretized integral equation. In the recent years, the application of the Monte Carlo (MC)...
-
Kriging metamodels and design re‐utilization for fast parameter tuning of antenna structures
PublicationThe paper addresses the problem of computationally efficient electromagnetic (EM)‐driven design closure of antenna structures. The foundations of the presented approach are fast kriging interpolation metamodels, utilized for two purposes: (a) producing a good starting point for further parameter tuning, and (b) yielding a reasonable Jacobian matrix estimate to jump‐start the optimization procedure. The models are rendered using...
-
Determination of Earth Pressure and Displacement of the Retaining Structure According to the Eurocode 7-1
PublicationComparative analysis of standard guidelines and findings given in EC7-1 and in Polish Standard PN-83/B-03010. Discussed guidelines concerning active and passive earth pressure as well as at rest pressure state. Wall displacement causing limit states of earth pressure and resistance. Interactive assumptions concerning intermediate earth pressure and resistance values. Conclusions and final remarks.
-
Resolving conflicts in object tracking for automatic detection of events in video
PublicationAn algorithm for resolving conflicts in tracking of moving objects is presented. The proposed approach utilizes predicted states calculated by Kalman filters for estimation of trackers position, then it uses color and texture descriptors in order to match moving objects with trackers. Problematic situations, such as splitting objects, are addressed. Test results are presented and discussed. The algorithm may be used in the system...
-
Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands
PublicationCoordination complexes that possess large magnetic anisotropy (otherwise known as zero-field splitting, ZFS) have possible applications in the field of magnetic materials, including single molecule magnets (SMMs). Previous studies have explored the role of coordination number and geometry in controlling the magnetic anisotropy and SMM behavior of high-spin (S = 3/2) Co(II) complexes. Building upon these efforts, the present work...
-
Structure of EstA esterase from psychrotrophic Pseudoalteromonas sp. 643A covalently inhibited by monoethylphosphonate.
PublicationThe crystal structure of the esterase EstA from the cold-adapted bacteriumPseudoalteromonas sp. 643A was determined in a covalently inhibited form at aresolution of 1.35 A˚. The enzyme has a typical SGNH hydrolase structureconsisting of a single domain containing a five-stranded beta-sheet, with threehelices at the convex side and two helices at the concave side of the sheet, and isornamented with a couple of very short helices...
-
Interval incidence coloring of bipartite graphs
PublicationIn this paper we study the problem of interval incidence coloring of bipartite graphs. We show the upper bound for interval incidence coloring number (χii) for bipartite graphs χii≤2Δ, and we prove that χii=2Δ holds for regular bipartite graphs. We solve this problem for subcubic bipartite graphs, i.e. we fully characterize the subcubic graphs that admit 4, 5 or 6 coloring, and we construct a linear time exact algorithm for subcubic...
-
Elimination of dominated partial schedules in scheduling deteriorating jobs
Publicationw artykule rozważany jest problem szeregowania zadań uwarunkowanych czasowo, w notacji trójpolowej opisywany przez 1 | pi = a + bisi | ?ci. wprowadzona jest koncepcja zdominowanych częściowych harmonogramów oraz przedstawiony jest niewielomianowy algorytm dla problemu, który bazuje na eliminacji zdominowanych częściowych harmonogramów. przedstawione są wyniki eksperymentów obliczeniowych, porównujących zaprezentowany algorytm oraz...
-
Sustainable investing exchange-traded funds: US and European market
PublicationThe key aim of the paper is to examine the diffusion of the sustainable investing exchange-traded funds (ETFs) on the European and US ETFs markets, with the special focus on the market shares of sustainable investing and conventional funds. The model of diffusion of innovation (logistic growth model) is applied. Monthly data on the assets of ETFs in the time period of 2006-2017 are used. Increasing assets of sustainable investing...
-
Voltage Control of a Stand-Alone Multiphase Doubly Fed Induction Generator
PublicationThis article presents a multiphase doubly fed induction generator (MDFIG) with a dedicated and unique control algorithm in a stand-alone wind energy conversion system. The algorithm has been developed and elaborated in the case of different emergency modes. Compared with the traditional double-fed induction generator, the MDFIG has increased reliability, reduced current level per phase, and low rotor harmonic currents. The control...
-
Mechanism of Li nucleation at graphite anodes and mitigation strategies
PublicationLithium metal plating is a critical safety issue in Li-ion cells with graphite anodes, and contributes significantly to ageing, drastically limiting the lifetime and inducing capacity loss. Nonetheless, the nucleation mechanism of metallic Li on graphite anodes is still poorly understood. But in-depth understanding is needed to rationally design mitigation measures. In this work, we conducted FirstPrinciples studies to elucidate...
-
Regulacje prawne odnoszące się do testowania samochodów autonomicznych na drogach publicznych w Polsce i w Kalifornii
PublicationThe current level of technological advancement allows for predicting that in the near future autonomous technology may be successfully used for the production of self-driving cars. Many companies (not necessarily related to the automotive sector) have spotted the chance of future profits and thus started working on testing and development of autonomous vehicles. The initiation of work has indicated the lack of possibility to test...
-
Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
-
Local Structure and Stability of SEI in Graphite and ZFO Electrodes Probed by As K-edge Absorption Spectroscopy
PublicationThe evolution of the solid electrolyte interphase (SEI) during the first Li uptake in advanced Li-ion electrodes is studied by X-ray absorption spectroscopy (XAS). The As atoms present in the electrolyte solution were used as a local probe for monitoring the SEI growth on different electrodes. High-quality As K-edge spectra were collected in fluorescence mode for a set of graphite and carbon-coated ZnFe2O4 electrodes. XAS measurements...
-
The 41Σ+ electronic state of LiCs molecule
PublicationThe 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the measured spectra. The experiment is accompanied by theoretical calculations of adiabatic potentials for excited states in LiCs including 41Σ+, performed with the MOLPRO program package. The irregular shape of the 41Σ+ state potential predicted...
-
Comparison of the Efficiency of Turbo Codes with Mechanisms of Reducing the Number of Iterations
PublicationThe paper presents the construction of encoders and decoders turbo codes with different number of states. Simulation results of the transmission quality of the turbo codes were presented. Decoders for turbo codes have worked with a fixed number of iterations and with the mechanisms reducing the number of iterations. Data were transmitted in Outdoor to Indoor & Pedestrian B environment for data rate 384 kbps. The SOVA algorithm...
-
Statistically efficient smoothing algorithm for time-varying frequency estimation
PublicationThe problem of extraction/elimination of a nonstationary sinusoidal signal from noisy measurements is considered. This problem is usually solved using adaptive notch filtering (ANF) algorithms. It is shown that the accuracy of frequency estimates can be significantly increased if the results obtained from ANF are backward-time filtered by an appropriately designed lowpass filter. The resulting adaptive notch smoothing (ANS) algorithm...
-
Sensor Position Estimation Method for IoT Using Mobile Reference Node
PublicationThe paper proposes an innovative method of locating objects for the Internet of Things (IoT). The proposed method allows the position of a fixed measuring sensor (MS) to be estimated using one mobile base station with a known position moving around the MS. The mathematical analysis of the method, and three algorithms — Newton’s (NA), gradient descent (GD) and genetic (GA) — for solving the system of non-linear positional equations...
-
Influence of temperature and interactions with ligands on dissociation of dsDNA and ligand-dsDNA complexes of various types of binding : an electrochemical study.
PublicationSeveral medicinally important compounds that bind to dsDNA strands via intercalation (C-1311, C-1305, EtBr), major groove binding (Hoechst 33258) and covalent binding (cis-Pt) were examined. The obtained results suggest that both the transfer of conformation B to C and the denaturation process, for the ligand-dsDNA complexes, except for covalently bound cis-Pt, took place at higher temperatures compared to the unbound helix. Furthermore,...
-
Isolation Number versus Domination Number of Trees
PublicationIf G=(VG,EG) is a graph of order n, we call S⊆VG an isolating set if the graph induced by VG−NG[S] contains no edges. The minimum cardinality of an isolating set of G is called the isolation number of G, and it is denoted by ι(G). It is known that ι(G)≤n3 and the bound is sharp. A subset S⊆VG is called dominating in G if NG[S]=VG. The minimum cardinality of a dominating set of G is the domination number, and it is denoted by γ(G)....
-
2-Coloring number revisited
Publication2-Coloring number is a parameter, which is often used in the literature to bound the game chromatic number and other related parameters. However, this parameter has not been precisely studied before. In this paper we aim to fill this gap. In particular we show that the approximation of the game chromatic number by the 2-coloring number can be very poor for many graphs. Additionally we prove that the 2-coloring number may grow...
-
Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublicationA two-dimensional (2D) hydrogen-like atom with a relativistic Dirac electron, placed in a weak, static, uniform magnetic field perpendicular to the atomic plane, is considered. Closed forms of the first- and second-order Zeeman corrections to energy levels are calculated analytically, within the framework of the Rayleigh–Schrödinger perturbation theory, for an arbitrary electronic bound state. The second-order calculations are...
-
AMCA to TAMRA long range resonance energy transfer on a flexible peptide
PublicationFörster resonance energy transfer between 7-amino-4-methyl-3-coumarinylacetic acid, (AMCA, donor) and 5- carboxytetramethylrhodamine, (TAMRA, acceptor) bound to Lys(AMCA)-Gly-Pro-Arg-Ser-Leu-Ser-Gly-Lys (TAMRA)-NH2 peptide is demonstrated by various spectroscopic techniques in glycerol at room temperature. In particular, nonexponential character of fluorescence intensity decay evidences the distance distribution between the donor...
-
Simulation-driven size-reduction-oriented design of multi-band antennas by means of response features
PublicationThis study addresses the problem of explicit size reduction of multi-band antennas by means of simulation-driven optimisation. The principal difficulty of electromagnetic (EM)-based miniaturisation of multi-band antennas is that several resonances have to be controlled independently (both in terms of their frequency allocation and depth) while attempting to reduce physical dimensions of the structure at hand. The design method...
-
A note on simple bifurcation of equilibrium forms of an elastic rod on a deformable foundation
PublicationWe study bifurcation of equilibrium states of an elastic rod on a two-parameter Winkler foundation. In the article "Bifurcation of equilibrium forms of an elastic rod on a two-parameter Winkler foundation" [Nonlinear Anal., Real World Appl. 39 (2018) 451-463] the existence of simple bifurcation points was proved by the use of the Crandall-Rabinowitz theorem. In this paper we want to present an alternative proof of this fact based...
-
Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents
PublicationThe thermodynamic properties of phenacetin in solid state and in saturated conditions in neat and binary solvents were characterized based on differential scanning calorimetry and spectroscopic solubility measurements. The temperature-related heat capacity values measured for both the solid and melt states were provided and used for precise determination of the values for ideal solubility, fusion thermodynamic functions, and...
-
The electronic structure of p-xylylene and its reactivity with vinyl molecules
PublicationThe electronic states of p-xylylene molecule were described at the multi-configurational CASSCF/MRMP2 level of theory. The closed-shell singlet state representing the quinoidal p-xylylene molecule was pre-dicted to be the ground electronic state whereas the triplet (benzoidal) and the singlet open-shell states were found to be much higher in energy (by 159 and 423 kJ/mol, respectively, as found at the CASSCF(8,8)/6-31+G(d) level)....
-
Theory versus experiment for vacuum Rabi oscillations in lossy cavities
PublicationThe 1996 experiment by Brune et al. [Phys. Rev. Lett. 76, 1800 (1996)] on vacuum Rabi oscillation is analyzed by means of alternative models of atom-reservoir interaction. Agreement with experimental Rabi oscillation data can be obtained if one defines jump operators in the dressed-state basis and takes into account thermal fluctuations between dressed states belonging to the same manifold. Such low-frequency transitions could...
-
Unraveling the role of boron dimers in the electrical anisotropy and superconductivity in boron-doped diamond
PublicationWe use quantum mechanics (QM) to determine the states formed by B dopants in diamond. We find that isolated B sites prefer to form BB dimers and that the dimers pair up to form tetramers (BBCBB) that prefer to aggregate parallel to the (111) surface in the <110> direction, one double layer below the H-terminated surface double layer. These tetramers lead to metallic character (Mott metal Insulator Transition) with holes in the...
-
Receptor for advanced glycation end‐products: Biological significance and imaging applications
PublicationThe receptor for advanced glycation end-products (RAGE or AGER) is a transmembrane, immunoglobulin-like receptor that, due to its multiple isoform structures, binds to a diverse range of endo- and exogenous ligands. RAGE activation caused by the ligand binding initiates a cascade of complex pathways associated with producing free radicals, such as reactive nitric oxide and oxygen species, cell proliferation, and immunoinflammatory...
-
Review of International Standards and Policy Guidelines for Smart Sustainable Cities
PublicationSmart cities are often criticized for preoccupation with technology, for ignoring the negative effects of technology, for irrelevance to the needs of the poor, and for ubiquitous data collection creating perfect conditions for surveillance societies and autocratic states. In response, cities pursue smartness and sustainability simultaneously, becoming global (by participation in global digital networks) and local (by addressing...
-
Magnetic switching of Kerker scattering in spherical microresonators
PublicationMagneto-optical materials have become a key tool in functional nanophotonics, mainly due to their ability to offer active tuning between two different operational states in subwavelength structures. In the long-wavelength limit, such states may be considered as the directional forward- and back-scattering operations, due to the interplay between magnetic and electric dipolar modes, which act as equivalent Huygens sources. In this...
-
Non-Perfect Propagation of Information to a Noisy Environment with Self-Evolution
PublicationWe study the non-perfect propagation of information for evolving a low-dimensional environment that includes self-evolution as well as noisy initial states and analyse the interrelations between the degree of objectivization and environment parameters. In particular, we consider an analytical model of three interacting qubits and derive its objectivity parameters. The numerical analysis shows that the quality of the spectrum broadcast...
-
Biocompatibility and potential functionality of lanthanum-substituted cobalt ferrite spinels
PublicationBulk and nanostructurized lanthanum-cobalt spinels have attracted a lot of interest from researchers, due to their unique physical and chemical properties as well as functionalities, which are interesting for biomedical and electronic industries. In this manuscript we show that introducing small lanthanum (La3+) content can tune magnetic, electronic and cytotoxic properties of the CoFe2− xLaxO4 system (x ≤ 0.1). The mechanisms...
-
Emotion recognition and its application in software engineering
PublicationIn this paper a novel application of multimodal emotion recognition algorithms in software engineering is described. Several application scenarios are proposed concerning program usability testing and software process improvement. Also a set of emotional states relevant in that application area is identified. The multimodal emotion recognition method that integrates video and depth channels, physiological signals and input devices...
-
Experimental Extraction of Secure Correlations from a Noisy Private State
PublicationWe report experimental generation of a noisy entangled four-photon state that exhibits a separation between the secure key contents and distillable entanglement, a hallmark feature of the recently established quantum theory of private states. The privacy analysis, based on the full tomographic reconstruction of the prepared state, is utilized in a proof-of-principle key generation. The inferiority of distillation-based strategies...
-
Enhanced trap-assisted recombination in organic semiconductors
PublicationAn analytical model to describe the interaction of excitons and charge transfer states with deep traps is formulated for the case of molecular materials. Here, we have considered the influence of a trap-assisted recombination on this phenomenon. The final expression for the effective recombination rate has been derived from the Shockley–Read–Hall theory and kinetic equations which characterize different photophysical processes....