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Excited states of isoxazole molecules studied by electron energy-loss spectroscopy
PublicationElectron energy-loss spectra were measured in isoxazole in the excitation energy range 3.5−10 eV to investigate the valence excited states. Spectra recorded at different scattering conditions enabled the identification of the singlet and triplet states and the determination of their vertical excitation energies. The two lowest energy triplet bands, ππ* 13A' and ππ* 23A' at 4.20 and 5.30 eV, respectively show vibrational progressions....
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Four-Port Circulator Using Reduced Ground Plane Ferrite Coupled Line Junction
PublicationIn this paper the investigations of four-port circula-tor using longitudinally magnetized ferrite coupled line section are presented. The device is designed by cascading ferrite section with magic-T junction ensuring its even and odd mode excitation. The scattering parameters of ferrite coupled line junction are calculated using own software and verified with the use of commercial software. The even and odd excitation of ferrite...
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Investigation of photothermolysis therapy of human skin diseases using optical phantoms
PublicationDermatological diseases, such as neurofibroma (Recklinghausen disease) or hemangiomas can be efficiently treated using photothermolysis from laser irradiation. We have utilized a developed 975 nm fiber diode laser as a low-cost alternative over common Nd:YAG lasers. This paper describes the investigations of interaction of 975 nm diode laser radiation-pulses with optical skin phantoms which were designed and manufactured in our...
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Analysis of the structure of the atomized fuel spray with marine diesel engine injector in the early stage of injection
PublicationThis paper presents the results of the experimental research of the atomized fuel spray with the marine diesel engine injector in the constant volume chamber. The specificity of the phenomena occurring in the marine engine cylinder was the reason to use the optical visualisation method in the studies – the Mie scattering technique. This work presents an analysis of the influence of different geometry of outlet orifice and opening...
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Wybrane zagadnienia przepływowe turbiny gazowej pracującej w tłoczni gazu ziemnego.
PublicationW niniejszym artykule przedstawiono cieplno-przepływowe obliczenia turbiny gazowej, stanowiącej napęd sprężarki w tłoczni gazu ziemnego. Wartości parametrów wejściowych niezbędnych do przeprowadzenia obliczeń przyjęto na podstawie danych technicznych tłoczni zasilających polski odcinek gazociągu tranzytowego Jamał-Europa, w których pracują turbiny gazowe SGT-600 firmy Siemens, o mocy 25,3 MW.
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The point estimate method in a reticulated shell reliability analysis
PublicationThe objective of this paper is to present an application of the point estimate method (PEM) that can determine the probabilistic moments for engineering structures. The method is reasonably robust and adequately accurate for a wide range of practical problems. It is a special case of numerical quadrature based on orthogonal polynomials. The main advantage of this method is that, unlike FORM or SORM, it is not necessary to carry...
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Running performance of an aerodynamic journal bearing with squeeze film effect
PublicationResults of theoretical and experimental studies concerning the performance of an aerodynamic journal bearing of which running is assisted by squeeze film ultrasonic levitation (SFUL) are presented in this paper. The SFUL mechanism not only can separate journal from the bearing at the start and stop phases of operation but also can significantly contribute to the dynamic stability of the bearing when it runs at speed. Computer calculations...
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Ligand-Modified Boron-Doped Diamond Surface: DFT Insights into the Electronic Properties of Biofunctionalization
PublicationWith the increasing power of computation systems, theoretical calculations provide a means for quick determination of material properties, laying out a research plan, and lowering material development costs. One of the most common is Density Functional Theory (DFT), which allows us to simulate the structure of chemical molecules or crystals and their interaction. In developing a new generation of biosensors, understanding the nature...
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Comparative study of flow condensation in conventional and small diameter tubes
PublicationFlow boiling and flow condensation are often regarded as two opposite or symmetrical phenomena, however their description with a single correlation has yet to be suggested. In the case of flow boiling in minichannels there is mostly encountered the annular flow structure, where the bubble generation is not present. Similar picture holds for the case of inside tube condensation, where annular flow structure predominates. In such...
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Crystal structure and electronic structure of CePt2In7
PublicationWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
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Voltammetric and biological studies of folate-targeted non-lamellar lipid mesophases
PublicationFolate-targeted lipid nanostructures are promising strategies for the development of biocompatible drug delivery systems. The objective of this study was to evaluate the efficacy of drug delivery to cancer cells by folate-targeted lipid mesophases, cubosomes (CUB) and hexosomes (HEX), loaded with doxorubicin (DOX). Three cancer-derived cell lines (KB, HeLa, T98G) exhibiting different expressional levels of folate receptor protein...
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Adsorption behavior and corrosion inhibitive characteristics of newly synthesized cyano-benzylidene xanthenes on copper/sodium hydroxide interface: Electrochemical, X-ray photoelectron spectroscopy and theoretical studies
PublicationElegant process for synthesis of 3-(7H-dibenzo[c,h]xanthen-7-yl)benzaldehyde (3), as new starting material to create a set of novel xanthene analogues, 2-(3-(7H-dibenzo[c,h]xanthen-7-yl)benzylidene)malononitrile (4), 3-(3-(7H-dibenzo[c,h]xanthen-7-yl)phenyl)-2-cyanoacrylic acid (5), and Ethyl-3-(3-(7H-dibenzo[c,h]xanthen-7-yl)phenyl)-2-cyanoacrylate (6), was achieved starting with available materials under mild conditions. Various...
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The calculation long-term physical field created by water flow around the ship
PublicationThe paper presents a description of the problems with fluid flow around a ship. Using the described solution of the problem were performed numerical calculations using the boundary element method. Were also presented preliminary results of the calculation of pressure fields at the bottom of the ship, taking into account the impact of the bottom.
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Optical Spectroscopic Studies of Tetrahydrofuran Fragmentation Induced by Collisions with Dihydrogen Cations
PublicationCollisions of dihydrogen cations with tetrahydrofuran molecules have been studied. Luminescence spectra and the emission functions of the excited products at projectile energies ranging from 8 to 1000 eV have been measured using collision-induced emission spectroscopy. The recorded spectra are dominated by the atomic lines of the hydrogen Balmer series, whose intensities decrease more quickly than derived by the quantum-theoretical...
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Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes
PublicationSelected physical properties of the ionic liquids might be quantitatively predicted based on the volumes of the ions these systems are composed of. It is demonstrated that the ionic volumes calculated using relatively simple theoretical quantum chemistry methods can be utilised to estimate the viscosities and electrical conductivities of various commonly used ionic liquids. The fitting formulas of the exponential form are offered...
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Contra Bellum: Bell's Theorem as a Confusion of Languages
PublicationBell's theorem is a conflict of mathematical predictions formulated within an infinite hierarchy of mathematical models. Inequalities formulated at level k ∈ Z are violated by probabilities at level k+1. We are inclined to think that k=0 corresponds to the classical world, while k=1 — to the quantum one. However, as the k=0 inequalities are violated by k=1 probabilities, the same relation holds between k=1 inequalities violated...
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Tropospheric delays derived from GNSS observations during the derecho event in Poland of 11th August 2017
Open Research DataPropagation of global navigation satellite systems (GNSS) radio signals is disturbed by the current state of the Earth's atmosphere. For this reason, advances processing of GNSS signals can be used for investigation of the atmospheric condition. In case of troposphere, the GNSS signals allow for obtain information of tropospheric delay, which is mainly...
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Comparative analysis of the theoretical models of ideal propulsor, ideal fluid brake, ideal screw propeller and ideal axial wind turbine
PublicationThe article presents a detailed discussion of four different fluid dynamics devices.These devices are presented with all relevant mathematical formulae regarding the forces, the power and the efficiency. It is demonstrated that application of the Betz theorem to axial wind turbines is not correct and it underestimates the maximujm achievable efficiency. This conclusion is supported by numerical calculations.
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Use of optical skin phantoms for preclinical evaluation of laser efficiency for skin lesion therapy
PublicationSkin lesions are commonly treated using laser heating. However, the introduction of new devices into clinical practice requires evaluation of their performance. This study presents the application of optical phantoms for assessment of a newly developed 975-nm pulsed diode laser system for dermatological purposes. Such phantoms closely mimic the absorption and scattering of real human skin (although not precisely in relation to...
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SYSTEM IDENTYFIKACJI SZUMÓW RTS TRANSOPTORÓW CNY17
PublicationW artykule opisano zaprojektowany i wykonany system do identyfikacji szumów wybuchowych (RTS – Random Telegraph Signal) występujących w transoptorach typu CNY17. Z metod umożliwiających ocenę parametrów szumów wybuchowych wybrano do realizacji metodę Wzorów Obrazów Szumów – WOS (ang. Noise Scattering Patterns – NSP), która w sposób bardzo prosty pozwala na rozpoznawanie szumów o rozkładach wartości chwilowych gaussowskich i niegaussowskich....
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Recent Developments in Data-Assisted Modeling of Flexible Proteins
PublicationMany proteins can fold into well-defined conformations. However, intrinsically-disordered proteins (IDPs) do not possess a defined structure. Moreover, folded multi-domain proteins often digress into alternative conformations. Collectively, the conformational dynamics enables these proteins to fulfill specific functions. Thus, most experimental observables are averaged over the conformations that constitute an ensemble. In this...
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Analysis of the macrostructure of the fuel spray atomized with marine engine injector
PublicationOne of the main problem influencing the combustion process in the cylinder of the marine engine is an fuel spray phenomena. The parameters describing the shape of the fuel spray are named macro parameters. This article presents the research results of the macrostructure parameters of the fuel spray atomized with the marine engine injector. The research were carried out by optical visualization measurement method of Mie scattering....
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Cross-sectional imaging of materials structure using PS-OCT
PublicationOptical low-coherence tomography is a measurement technique for non-contact and non-destructive investigation of materials inner structure. Nowadays, this method is highly applied in medical treatment especially in dermatology and ophthalmology. During our research we have developed an optical low-coherence tomography system with polarization state analysis for structure examination of a broad range of technical materials. In this...
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Fluctuation-Enhanced Sensing for Biological Agent Detection and Identification
PublicationPrzedstawiono wcześniejsze wyniki badań dotyczące trzech różnych sposobów wykrywania obecności substancji biologicznych za pomocą zjawisk fluktuacyjnych: 1) wirusów wnikających do komórek, 2) zapachów emitowanych przez mikroby, 3) rozkładu widma i wartości chwilowych szumów podczas rozpraszania światła używanego do wykrywania zarodników na podstawie wyznaczenia współczynnika dyfuzji opisująceo ich ruch.We survey and show our earlier...
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Automated Reduced Model Order Selection
PublicationThis letter proposes to automate generation of reduced-order models used for accelerated -parameter computation by applying a posteriori model error estimators. So far,a posteriori error estimators were used in Reduced Basis Method (RBM) and Proper Orthogonal Decomposition (POD) to select frequency points at which basis vectors are generated. This letter shows how a posteriori error estimators can be applied to automatically select...
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Implementation of FDTD-Compatible Green's Function on Graphics Processing Unit
PublicationIn this letter, implementation of the finite-difference time domain (FDTD)-compatible Green's function on a graphics processing unit (GPU) is presented. Recently, closed-form expression for this discrete Green's function (DGF) was derived, which facilitates its applications in the FDTD simulations of radiation and scattering problems. Unfortunately, implementation of the new DGF formula in software requires a multiple precision...
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Excavation induced cast iron pipeline failure – a numerical study
PublicationNumerical study on impact of an unsecured excavation on an underground pipeline. Analysis focused on investigation of pipeline displacement generated by soil movement caused by excavation and heavy traffic. Numerical calculations and soil parameter sensitivity analysis based on Finite Element Method. Some comparisons of results with real-life failure cases.
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Contribution of dynamic vehicle loads to pavement failure
PublicationPavement surfaces are not ideally even, which causes dynamic loads of vehicle axles. Distribution of dynamic loads of a given axle is similar to normal distribution and can be described by static load and dynamic load coefficient. The dynamic load coefficient depends on road profile, vehicle speed, properties of suspensions and static load of axle. While for a given road section road profile remains constant, vehicle speed and...
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Thermal and hydraulic phenomena in boundary layer of minijets impingement on curved surfaces
PublicationPresented work considers flow and thermal phenomena occurring during the single minijet impingement on curved surfaces, heated with a constant heat flux, as well as the array of minijets. Numerical analyses, based on the mass, momentum and energy conservation laws, were conducted, regarding single phase and two-phase simulations. Focus was placed on the proper model construction, in which turbulence and boundary layer modeling...
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Modeling process of planning finished product sales volumes at industrial enterprises in modern economic conditions
PublicationThis article presents improving the existing system of planning finished products sales volumes. The influencing factors of the sales volumes in modern economic conditions have been determined: falling world oil prices, the reduction of pipe consumption in the domestic market, the global pandemic. The algorithm of planning finished products sales volumes has been constructed. Calculations based on the Holt forecasting method has...
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Analysis of ring cracks in ceramic rolling elements using the boundary element method
PublicationCeramic materials have been increasingly used in bearing technology for over a dozen years. This is due to the characteristic properties of ceramic materials such as: high hardness, corrosion resistance, the possibility of use in aggressive chemical environments, as well as due to the lower specific weight compared to steel materials. However, the use of ceramic materials is connected with many limitations. The main disadvantages...
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Analysis of hydrodynamic pressure fields of motorboats and pontoons in shallow water
PublicationThe article presents the results of calculations of the pressure fields generated by a motorboat at the bottom of a shallow sea. Calculations were made using the boundary elements method (BEM), arranged on the surface of the boat and the bottom of the sea. This method is described in [3], and applied on a free surface linearized boundary condition. Results for four different lengths of motorboats, from 2.85 m to 9.5 m, sea depth...
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Quantitative Analysis of Biofilm Formed on Vascular Prostheses by Staphylococcus Epidermidis with Different ica and aap Genetic Status
PublicationOBJECTIVES: This study aims to examine biofilm formed on vascular prostheses by Staphylococcus epidermidis with different ica and aap genetic status, and to evaluate the effect of antibiotic-modified prostheses on bacterial colonization. METHODS: Biofilm formation was determined using fluorescence microscopy imaging. Quantitative analysis was conducted using the biofilm coverage ratio (BCR) calculations. RESULTS: Our investigations...
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Entanglement-redistribution boxes
PublicationWe establish a framework to study the classical-communication properties of primitive local operations assisted by classical communication which realize various redistributions of entanglement, like, e.g., entanglement swapping. On the one hand, we analyze what local operations and how much classical communication are needed to perform them. On the other hand, we investigate whether and to what extent such primitives can help to...
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A Note on Fractional Curl Operator
PublicationIn this letter, we demonstrate that the fractional curl operator, widely used in electromagnetics since 1998, is essentially a rotation operation of components of the complex Riemann–Silberstein vector representing the electromagnetic field. It occurs that after the wave decomposition into circular polarisations, the standard duality rotation with the angle depending on the fractional order is applied to the left-handed basis vector...
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Elastic wave propagation signals in concrete cube (experimental and calculated using discrete element method)
Open Research DataThe DataSet contains the results of the elastic wave propagation. Both experimental and numerical signals were obtained for the concrete cube with dimensions of 50 × 50 × 50 mm3. The specimen was made of concrete with called mortar concrete. The ingredients of the concrete mix were as follows: CEM I 42.5R (500 kg/m3), sand 0 – 2 (1500 kg/m3) and water...
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Magnetic and capacitive couplings influence on power and energy measurement in double circuit high voltage overhead transmission line
PublicationThe paper discusses influence of magnetic and capacitive couplings on power and energy measurement in case of double circuit high voltage overhead transmission line. There are presented and discussed various factors influencing the power flow among the line‟s circuits. Mathematical model based calculations results are compared to the real transmission line measurements.
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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublicationA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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The luminescence study of SrAl11.88−xGaxO19:0.12Cr3+ coumpounds.
Open Research DataPortable near-infrared (NIR) light sources are in high demand for applications in spectroscopy, night vision, bioimaging, and many others. Typical phosphor designs feature isolated Cr3+ ion centers, and it is challenging to design broadband NIR phosphors based on Cr3+–Cr3+ pairs. Here, we explore the solid-solution series SrAl11.88–xGaxO19:0.12Cr3+...
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Analiza odcinków generujących straty czasu w transporcie tramwajowym
PublicationW czasie analiz i studiów przedwykonawczych dotyczących budowy nowych i modernizacji istniejących tras tramwajowych, bardzo często zakładane są nierealne czasy przejazdów, które weryfikuje się już po oddaniu linii do eksploatacji i przeprowadzeniu badań obserwacyjnych. Problematyczne wydaje się określenie, przed zakończeniem inwestycji, rzeczywistej prędkości jazdy, jak również strat czasu powstających w miejscach potencjalnych...
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Influence of the thermal modernization of window on transmission heat losses
PublicationThe article presents the results of calculations of the heat transfer coefficient for the state before and after renovation for the historic windows. The aim of the analysis was to obtain the values of thermal insulation parameters demanded by the regulations, while not losing the historical value of the window. The described example of the renovation of the existing window consisted in installing an additional window panel from...
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Techniki zwiększania efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur
PublicationWspółczesna elektronika ze względu na swój szybki rozwój wymaga od nas efektywnego modelowania zjawisk polowych. Celem rozprawy jest zwiększanie efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur oraz jej hybrydyzację z użyciem technik analitycznych. Rozprawa zawiera przegląd stanu wiedzy na temat dostępnych obecnie technik modelowania jak również opis...
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Analysis of magnetic field inside thin-layer ferromagnetic objects
PublicationResults of the numerical analysis of the magnetic field inside an infinitely long, thin-layer ferromagnetic pipe with and without a barrier were presented in this paper. Two wires with current symmetrically placed on two sides of the pipe are the sources of magnetic field. Numerical calculations for the quasi-steady state for chosen frequency band were carried out in the Flux 2D.
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Applying of thin plate boundary condition in analysis of ship’s magnetic field
PublicationThis paper presents computer simulations of ship’s magnetic signatures using a new thin plate boundary condition implemented in the Opera-3d 18R2 program. The paper aims to check the magnetic signatures’ numerical calculations precision of objects using the thin plate boundary conditions and analysis of the magnetic signature of ship with a degaussing system and with and without inner devices.
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Entropy Production Associated with Aggregation into Granules in a Subdiffusive Environment
PublicationWe study the entropy production that is associated with the growing or shrinking of a small granule in, for instance, a colloidal suspension or in an aggregating polymer chain. A granule will fluctuate in size when the energy of binding is comparable to k_{B}T, which is the “quantum” of Brownian energy. Especially for polymers, the conformational energy landscape is often rough and has been commonly modeled as being self-similar...
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Fluorescence of p-hydroxyazobenzocrowns – Tautomeric equilibrium effect
PublicationThe spectroscopic properties of a series of para-hydroxyazobenzocrowns, including three novel compounds, were investigated using UV–Vis absorption and emission spectroscopy. This study presents, for the first time, determined quantum yield (QY) values for macrocycles of this category, ranging between 0.122 and 0.195. The highest values were obtained for crowns bearing two phenyl substituents in benzene rings. The impact of aromatic...
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Pt-rich intermetallic APt8P2 (A = Ca and La)
PublicationThe combination of experimental and theoretical investigation of two new Pt-rich intermetallic compounds: APt8P2 (A = Ca and La) is presented, including solid-state synthesis, crystal structure determination, physical properties characterization and chemical bonding analysis. APt8P2 was obtained through the high-temperature pellet synthesis. According to both single crystal and powder X-ray diffraction results, APt8P2 crystallize...
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Numerical modelling of the mesofracture process of sintered 316L steel under tension using microtomography
PublicationThis paper concerns numerical modelling of the deformation process, taking into account the local fracture of porous 316L sinters at the mesoscopic scale using the finite element method. Calculations are performed with the use of geometrical models, to map the realistic shape of the porous mesostructure of the material, obtained by means of computed microtomography. The microtomographic device has limited and insufficient measurement...
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A facile method for Tauc exponent and corresponding electronic transitions determination in semiconductors directly from UV–Vis spectroscopy data
PublicationIn this work, a facile method allowing for estimation of the exponent in the Tauc equation directly from the UV–vis spectra is presented. It is based on the Taylor expansion of the logarithmic version of the Tauc equation. The Tauc exponent is calculated from the tangent slope of the absorption data. Knowledge of this coefficient provides information about the optical transition types and is used as an input for the calculations...
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublicationThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...