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Wyniki wyszukiwania dla: physical model
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Creating private and public value in data-related management projects: a cross-border case study from Switzerland and Italy
PublikacjaThe literature in the field of smart cities shows a continuous emphasis and interest in the topic of big data due to the extensive use of Information and Communication Technologies by public and private institutions within each city. There is undoubtedly value in big data: in data lie insights on the city, its stakeholders, citizens, products, and services. Challenges, though, lie in data’s variety, volume, and velocity, but also...
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Polyurethane/Silane-Functionalized ZrO2 Nanocomposite Powder Coatings: Thermal Degradation Kinetics
PublikacjaA polyurethane (PU)-based powder coating reinforced with vinyltrimethoxysilane (VTMS)-functionalized ZrO2 nanoparticles (V-ZrO2) for thermal stability was developed. Chemical structure, microstructure and thermal degradation kinetics of the prepared coatings were investigated. The peak of aliphatic C–H vibrating bond in the Fourier transform infrared (FTIR) spectrum of V-ZrO2 was a signature of VTMS attachment. Scanning electron...
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Anthropogenic trace metals in Setiu Wetland: Spatial and seasonal distribution and implications for environmental health
PublikacjaThe growing urban wastewater volume poses a major global environmental challenge, especially in developing nations where inadequate treatment and discharge impact clean water availability. This study focused on Setiu Wetland, aiming to analyze seasonal and spatial variations of trace metals in particulate form from anthropogenic and pathogenic sources. Surface water samples were collected from multiple stations, measuring physical...
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Globalized Simulation-Driven Miniaturization of Microwave Circuits by Means of Dimensionality-Reduced Constrained Surrogates
PublikacjaSmall size has become a crucial prerequisite in the design of modern microwave components. Miniaturized devices are essential for a number of application areas, including wireless communications, 5G/6G technology, wearable devices, or the internet of things. Notwithstanding, size reduction generally degrades the electrical performance of microwave systems. Therefore, trade-off solutions have to be sought that represent acceptable...
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Sensitive Demonstration of the Twin-Core Couplers including Kerr Law Non-Linearity via Beta Derivative Evolution
PublikacjaTo obtain new solitary wave solutions for non-linear directional couplers using optical meta-materials, a new extended direct algebraic technique (EDAT) is used. This model investigates solitary wave propagation inside a fiber. As a result, twin couplers are the subject of this study. Kerr law is the sort of non-linearity addressed there. Because it offers solutions to problems with large tails or infinite fluctuations, the resulting...
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INVESTIGATIONS OF THE EMISSION CHARACTERISTICS OF A DUAL-FUEL GAS TURBINE COMBUSTION CHAMBER OPERATING SIMULTANEOUSLY ON LIQUID AND GASEOUS FUELS
PublikacjaT his study is dedicated to investigations of the working process in a dual-fuel low-emission combustion chamber for a floating vessel’s gas turbine. As the object of the research, a low-emission gas turbine combustion chamber with partial premixing of fuel and air inside the outer and inner radial-axial swirls was chosen. The method of the research is based on the numerical solution of the system of differential...
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Smart Decisional DNA Technology to Enhance Industry 4.0 Environment in Conjunction with Conventional Manufacturing
PublikacjaKnowledge-based support has become an indispensable part not only to the traditional manufacturing set-ups but also to the new fast-emerging Industry 4.0 scenario. In this regard, successful research has been performed and extensively reported to develop Decisional DNA based knowledge representation models of engineering object and engineering process called Virtual engineering object (VEO), Virtual engineering process (VEP) and...
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Structure-Property Relationship and Multiple Processing Studies of Novel Bio-Based Thermoplastic Polyurethane Elastomers
PublikacjaCurrently, the growing demand for polymeric materials has led to an increased need to develop effective recycling methods. This study focuses on the multiple processing of bio-based thermoplastic polyurethane elastomers (bio-TPUs) as a sustainable approach for polymeric waste management through mechanical recycling. The main objective is to investigate the influence of two reprocessing cycles on selected properties of bio-TPUs....
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublikacjaWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Improving methods to calculate the loss of ecosystem services provided by urban trees using LiDAR and aerial orthophotos
PublikacjaIn this paper we propose a methodology for combining remotely sensed data with field measurements to assess selected tree parameters (diameter at breast height (DBH) and tree species) required by the i-Tree Eco model to estimate ecosystem services (ES) provided by urban trees. We determined values of ES provided by trees in 2017 in Racibórz (a city in South Poland) and estimated the loss of ES from January 1, 2017 to March 5, 2017,...
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A concept of zero-dimensional and three-dimensional thermodynamic modelling of steam storage in a steam cycle
PublikacjaThis work presents the thermodynamic model of steam storage in a steam cycle. The innovative steam storage is an integral part of the unit and thus responds quickly to changes in load. This enhances the primary control reserve while maintaining high efficiency of energy conversion. With regard to power plants, it improves the operational safety of generation units, as it prevents boiler and turbines overload in the case of steep...
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On existence and uniqueness of weak solutions for linear pantographic beam lattices models
PublikacjaIn this paper, we discuss well-posedness of the boundary-value problems arising in some “gradientincomplete” strain-gradient elasticity models, which appear in the study of homogenized models for a large class ofmetamaterials whosemicrostructures can be regarded as beam lattices constrained with internal pivots. We use the attribute “gradient-incomplete” strain-gradient elasticity for a model in which the considered strain energy...
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AN ENERGY APPROACH TO THE FATIGUE LIFE OF SHIP PROPULSION SYSTEMS
PublikacjaThe conducted research investigations aimed to carry out an identification of the constructional materials fatigue state of the ship propulsions’ rotational mechanical units for diagnostic purposes. The fatigue cracks of the elements transmitting mechanical energy streams from the propulsion engines to the ship propellers or to the generators of the ship’s electric power station stand for a primary reason for the secondary, usually...
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Timber-frame house resistant to dynamic loads - analysis of wall panel filled with polyurethane foam
PublikacjaThe present study shows the experimentally and numerically determined response of a single timber-frame house wall panel filled with polyurethane (PU) foam under dynamic loads. The harmonic tests were conducted for the following frequencies: 0.5 Hz, 1.0 Hz, 2.0 Hz and 5.0 Hz for various values of the specified displacement. Based on the results of the comparison between the experimental tests and the numerical analyses, the numerical...
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Monitoring of the Process of System Information Broadcasting in Time
PublikacjaOne of the problems of quantum physics is how a measurement turns quantum, noncopyable data, towards copyable classical knowledge. We use the quantum state discrimination in a central system model to show how its evolution leads to the broadcasting of the information, and how orthogonalization and decoherence factors allow us to monitor the distance of the state in question to the one perfectly broadcasting information, in any...
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Surface and Trapping Energies as Predictors for the Photocatalytic Degradation of Aromatic Organic Pollutants
PublikacjaIn this study, anatase samples enclosed by the majority of three different crystal facets {0 0 1}, {1 0 0}, and {1 0 1} were successfully synthesized. These materials were further studied toward photocatalytic degradation of phenol and toluene as model organic pollutants in water and gas phases. The obtained results were analyzed concerning their surface structure, reaction type, and surface development. Moreover, the regression...
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Low-energy positron scattering from gas-phase pyrimidine: A quantum treatment of the dynamics and a comparison with experiments
PublikacjaWe are reporting detailed quantum scattering calculations that describe the diffusion of a beam of low-energy positrons interacting with the pyrimidine target as a gas-phase partner. The calculations have employed an essentially ab initio model for the short-range correlation interaction and for the electrostatic interaction of an impinging positron and the electron+nuclear structure of the target molecule at its equilibrium geometry.
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THE COMPOSITION MODULATION EFFECT IN GaInPAs SOLID SOLUTIONS AS A MANIFESTATION OF ENERGY RESONANCE AFTER MATERIAL'S SPINODAL DECOMPOSITION
PublikacjaThe Cahn-Hilliard model concepts are extended to describe the spinodal decomposition of Ga$_x$In$_{1-x}$P$_y$As$_{1-y}$ solid solutions grown on the InP substrate. The energy of elastic deformation of the thin layer of a solid solution was calculated on the assumption of its coherent conjugation with the massive InP substrate. The excess energy of component mixing in the solid phase was modeled in accordance with the simple solution...
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Experimental and theoretical study of a vertical tube in shell storage unit with biodegradable PCM for low temperature thermal energy storage applications
PublikacjaThis article presents the experimental investigations of the coconut oil-based TES module for HVAC applications in the ambient and-sub ambient temperature range. To properly study this problem modular experimental module and test loop were developed. Special attention has been paid to study the physical mechanism of the melting/solidification process for natural substance (coconut oil) which has perspectives to be used in thermal...
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Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublikacjaThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
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Dynamics of quantum entanglement
PublikacjaA model of discrete dynamics of entanglement of a bipartite quantum state is considered. It involves a global unitary dynamics of the system and periodic actions of local bistochastic or decaying channel. For initially pure states the decay of entanglement is accompanied by an increase of von Neumann entropy of the system. We observe and discuss revivals of entanglement due to unitary interaction of subsystems. For some mixed states...
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Strongly anisotropic surface elasticity and antiplane surface waves
PublikacjaWithin the new model of surface elasticity, the propagation of anti-plane surface waves is discussed. For the proposed model, the surface strain energy depends on surface stretching and on changing of curvature along a preferred direction. From the continuum mechanics point of view, the model describes finite deformations of an elastic solid with an elastic membrane attached on its boundary reinforced by a family of aligned elastic...
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Quantum origins of objectivity
PublikacjaIn spite of all of its successes, quantum mechanics leaves us with a central problem: How does nature create a bridge from fragile quanta to the objective world of everyday experience? Here we find that a basic structure within quantum mechanics that leads to the perceived objectivity is a so-called spectrum broadcast structure. We uncover this based on minimal assumptions, without referring to any dynamical details or a concrete...
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Synchronization system for underwater acoustic communications using in shallow waters
PublikacjaA reliable synchronization system of the transmitted data frame has a significant impact on the efficiency of the underwater communication system. This applies in particular to communication systems dedicated to work in shallow waters, where the phenomenon of multipath permanently occurs. To overcome these difficulties, the concept of a synchronization system consisting of two broadband signals of opposite monotonicity was presented....
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Entanglement and Nonlocality are Inequivalent for Any Number of Parties
PublikacjaUnderstanding the relation between nonlocality and entanglement is one of the fundamental problems in quantum physics. In the bipartite case, it is known that these two phenomena are inequivalent, as there exist entangled states of two parties that do not violate any Bell inequality. However, except for a single example of an entangled three-qubit state that has a local model, almost nothing is known about such a relation in multipartite...
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Why the Solvation Water around Proteins Is More Dense than Bulk Water
PublikacjaThe main aim of this work is to propose a rational explanation of the commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that the geometry of the water–water hydrogen bond network within solvation layer differs from the one in bulk water, and it is the result of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the...
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Why the solvation water around proteins is more dense than bulk water
PublikacjaThe main aim of this work is to propose a rational explanation of commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that geometry of the water-water hydrogen bond network within solvation layer differs from the one in bulk water and it is the effect of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the structure...
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Dynamical description of quantum computing: generic nonlocality of quantumnoise
PublikacjaWe develop a dynamical non-Markovian description of quantum computing in the weak-coupling limit, in the lowest-order approximation. We show that the long-range memory of the quantum reservoir (such as the 1/t4 one exhibited by electromagnetic vacuum) produces a strong interrelation between the structure of noise and the quantum algorithm, implying nonlocal attacks of noise. This shows that the implicit assumption of quantum error...
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Generic appearance of objective results in quantum measurements
PublikacjaMeasurement is of central interest in quantum mechanics as it provides the link between the quantum world and the world of everyday experience. One of the features of everyday experience is its robust, objective character, contrasting the delicate nature of quantum systems. Here we analyze in a completely model-independent way the celebrated von Neumann measurement process, using recent techniques of information flow, studied in...
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Variability in the distribution of phytoplankton as affected by changes to the main physical parameters in the Baltic Sea**The study was financially supported by the Polish State Committee of Scientific Research (grants: No. N N305 111636, N N306 353239) and ECOOP IP WP 10.1.3 Project. Partial support for this study was also provided by the Satellite Monitoring of the Baltic Sea Environment – SatBatłyk project founded by the European Union through European Regional Development Fund contract No. POIG 01.01.02-22-011/09.
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New kagome prototype materials: discovery of KV3Sb5, RbV3Sb5, and CsV3Sb5
PublikacjaIn this work, we present our discovery and characterization of a new kagome prototype structure, KV3Sb5. We also present the discovery of the isostructural compounds RbV3Sb5 and CsV3Sb5. All materials exhibit a structurally perfect two-dimensional kagome net of vanadium. Density-functional theory calculations indicate that the materials are metallic, with the Fermi level in close proximity to several Dirac points. Powder and single-crystal...
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublikacjaThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
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The modelling method of discrete-continuous systems
PublikacjaThe paper introduces a method of discrete-continuous systems modelling. In the proposed method a three-dimensional system is divided into finite elements in only two directions, with the third direction remaining continuous. The thus obtained discrete-continuous model is described by a set of partial differential equations. General difference equations of discrete system are obtained using the rigid finite element method. The limit...
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At the Limits of Criticality-Based Quantum Metrology: Apparent Super-Heisenberg Scaling Revisited
PublikacjaWe address the question of whether the super-Heisenberg scaling for quantum estimation is indeed realizable. We unify the results of two approaches. In the first one, the original system is compared with its copy rotated by the parameter-dependent dynamics. If the parameter is coupled to the one-body part of the Hamiltonian, the precision of its estimation is known to scale at most as N−1 (Heisenberg scaling) in terms of the number...
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Multicomponent ionic liquid CMC prediction
PublikacjaWe created a model to predict CMC of ILs based on 704 experimental values published in 43 publications since 2000. Our model was able to predict CMC of variety of ILs in binary or ternary system in a presence of salt or alcohol. The molecular volume of IL (Vm), solvent-accessible surface (Sˆ), solvation enthalpy (DsolvGN), concentration of salt (Cs) or alcohol (Ca) and their molecular volumes (Vms and Vma, respectively) were chosen...
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f-γ current fluctations in organic semiconductors: evidence for percolation
PublikacjaSzumowe spektra o nachyleniu f-γ były obserwowane w organicznych półprzewodnikach i interpretowane przy pomocy hoppingowego modelu szumów. S(f) spektra wykazywały max w regionie wypełniania się pułapek nośników ładunku. W tym artykule dyskutujemy warunki określające poszczególne rodzaje SCLC transportu. Model perkolacyjny został użyty do opisu przejść pomiędzy fazą izolatora a przewodnika, gdzie małe zmiany przełożonego napięcia...
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Non-ergodic fragmentation upon collision-induced activation of cysteine–water cluster cations
PublikacjaCysteine–water cluster cations Cys(H2O)3,6 + and Cys(H2O)3,6H+ are assembled in He droplets and probed by tandem mass spectrometry with collision-induced activation. Benchmark experimental data for this biologically important system are complemented with theory to elucidate the details of the collisioninduced activation process. Experimental energy thresholds for successive release of water are compared to water dissociation energies...
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Application of the J-matrix method to multichannel scattering
PublikacjaIn 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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Conditions for Multiple Acquisition of Echoes from Stationary Targets in Successive Transmissions of Active Sonars
PublikacjaIn echolocation, the highest possible number of contacts with a detected target is clearly decisive on the possibilities of echo processing to optimise the estimation of distinctive characteristics of the observed target. In hydrolocation, the slow propagation of acoustic waves in water reduces the number of contacts of echosounders and sonars with detected targets. The article considers model conditions for acquiring multiple...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublikacjaWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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Elastic scattering of electrons from chloroform
PublikacjaWe present experimental and theoretical cross sections for elastic electron scattering from CHCl3. This is an important target because of its relevance to environmental chemistry and the plasma etching industry as a source of chlorine radicals. The experimental results were obtained at incident electron energies ranging from 0.5 to 800 eV in the 10deg-130deg scattering angle range. Theoretically, the scattering cross sections in...
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Revealing the Frank–Evans “Iceberg” Structures within the Solvation Layer around Hydrophobic Solutes
PublikacjaUsing computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250−298 K. By analyzing both the local ordering of the molecules of water in the solvation layers and the structure of hydrogen bond network, it is shown that in the solvation layer of hydrophobic molecules, ordered...
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Electron impact ionization and cationic fragmentation of the pyridazine molecules
PublikacjaElectron impact mass spectroscopy was used to investigate ionization and cationic fragmentation of the pyridazine (1,2 diazine), C4H4N2, molecules in the gas phase. The mass spectra were measured and the observed mass peaks assigned to the corresponding cations. The appearance energies of most of the cationic fragments were determined and the possible fragmentation processes are discussed. The total cross section for electron...
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Cross section calculations for electron scattering from platinum chemotherapeutic compounds
PublikacjaCross section for electron impact ionization of carboplatin, C6H12N2O4Pt, and oxaliplatin, C8H14N2O4Pt, have been calculated within binary-encounter-Bethe model for energies from the ionization threshold up to 5000 eV. Cross section for elastic electron scattering from carboplatin and oxaliplatin molecules have also been derived using independent atom method (IAM) and additivity rule for collision energies ranging from 50 eV to...
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Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublikacjaThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...
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Resonances and Dissociative Electron Attachment in HNCO
PublikacjaIn a combined experimental and theoretical study, we probe the dissociative electron attachment in isocyanic acid HNCO. The experimental absolute cross section for the NCO− fragment shows a sharp onset and fine structures near the threshold. The autoionizing state responsible for the dissociative attachment is found in both the R-matrix calculation and using analytic continuation in the coupling constant. The involved A' resonance...
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Directed electromagnetic pulse dynamics: projecting operators method
PublikacjaIn this article, we consider a one-dimensional model of electromagnetic pulse propagation in isotropic media, takinginto account a nonlinearity of the third order. We introduce a method for Maxwell's equation transformation on thebasis of a complete set of projecting operators. The operators correspond to wave dispersion branches including thedirection of propagation. As the simplest result of applying the method, we derive a system...
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High-temperature Corrosion of ~ 30 Pct Porous FeCr Stainless Steels in Air: Long-Term Evaluation Up to Breakaway
PublikacjaIn this work, a long-term (up to 6000 hours) corrosion evaluation of three porous (~ 30 pct of initial porosity) ferritic iron-chromium alloys with different Cr contents (20, 22, and 27 wt pct of Cr) was carried out at 600 C, 700 C, 800 C, and 900 C in air. Mass gain measurements and SEM analyses revealed that at temperatures above 600 C, all alloys exhibit breakaway corrosion, whereas at 600 C, none of the alloys were heavily...
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Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride
PublikacjaWe present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp∗2TiCl2) and difluoride (Cp∗2TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis...
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Spectroscopic and photophysical properties of ZNTPP in a room temperature ionic liquid
PublikacjaThe steady-state absorption and emission spectra and the time-resolved Soret- and Q-band excited fluorescence profiles of the model metalloporphyrin, ZnTPP, have been measured in a highly purified sample of the common room temperature ionic liquid, [bmim][PF(6)]. S(2)-S(0) emission resulting from Soret-band excitation behaves in a manner completely consistent with that of molecular solvents of the same polarizability. The ionic...