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Search results for: electronic transition dipole moment function
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Tailoring structural properties of lanthanum orthoniobates through an isovalent substitution on the Nb-site
PublicationTetragonal polymorph of lanthanum orthoniobate can be stabilized to room temperature by the substitution of Nb with an isovalent element. LaNb1-xAsxO4 (0 < x ≤ 0.3), where As is an element stabilizing tetragonal structure, were successfully synthesized with combined co-precipitation and solid-state reaction method. The phase transition temperature, above which the material has tetragonal structure, decreases linearly with increasing...
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Determination of equivalent circuit parameters of an induction motor using field calculation software
PublicationSimulation of the drive system comprising a power electronic converter and an induction motor requires that the equivalent circuit parameters of the motor are known. These parameters can be either measured or calculated. A method of calculation of self and mutual inductances that are parameters of a polyphase model of the motor is presented in the paper. All self-inductances and mutual inductances have been calculated using the...
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Ferro- and antiferro-magnetism in (Np, Pu)BC
PublicationTwo new transuranium metal boron carbides, NpBC and PuBC, have been synthesized. Rietveld refinements of powder XRD patterns of {Np,Pu} BC confirmed in both cases isotypism with the structure type of UBC. Temperature dependent magnetic susceptibility data reveal antiferromagnetic ordering for PuBC below T-N = 44 K, whereas ferromagnetic ordering was found for NpBC below T-C = 61 K. Heat capacity measurements prove the bulk character...
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Physical properties and electronic structure of La3Co and La3Ni intermetallic superconductors
PublicationLa3Co and La3Ni are reported superconductors with transition temperatures of 4.5 and 6 K, respectively. Here, we reinvestigate the physical properties of these two intermetallic compounds with magnetic susceptibility χ, specific heat Cp and electrical resistivity ρ measurements down to 1.9 K. Although bulk superconductivity is confirmed in La3Co, as observed previously, only a trace of it is found in La3Ni, indicating that the...
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Antagonist adhesion effects due to variable substrate surface
PublicationThe effects of variability of intrinsic adhesion within a joint have been studied using a single cantilever beam (SCB) test. Fracture energy was found not to be a simple function of relative areas of 2 surface pre-treatments: a 'weak' zone decreased strength more than expected from simple, additive considerations. By severing the adhesive along the strong-weak transition, fracture energy increased.The prior antagonist effect appears...
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A Family of Pb-based Superconductors with Variable Cubic to Hexagonal Packing
PublicationWe describe three previously unreported superconductors, BaPb3, Ba0.89Sr0.11Pb3, and Ba0.5Sr0.5Pb3. These three materials, together with SrPb3, form a distinctive isoelectronic family of intermetallic superconductors based on the stacking of Pb planes, with crystal structures that display a hexagonal to cubic perovskite-like progression, as rarely seen in metals. The superconducting transition temperatures (Tc) are similar for...
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Importance of Specific Heat Characterization when Reporting New Superconductors: An Example of Superconductivity in LiGa2Rh
PublicationWe show that the full-Heusler compound LiGa2Rh is a superconductor with Tc = 2.4 K. The new superconductor was found as a result of an intuition-based extension of a database search for superconductors that looked for the presence of peaks in the electronic band structure near the Fermi energy. The measurement of the entropy loss during the transition from the nonsuperconducting to the superconducting state, a straightforward measurement...
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Thin-walled cross section shape influence on steel member resistance.
PublicationThis work describes why trending thin-walled technology is achieving popularity in steel construction sector. A purpose of this article is to present the influence of the cold-formed element cross-section shape on an axial compression and a bending moment resistance. The authors have considered four different shapes assuming constant section area and thickness. Calculations were based on three different steel grades taking into...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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The basics of design and experimental tests of the commutation unit of a hydraulic satellite motor
Publicationhe article presents an analytical method to design the commutation unit in a hydraulic satellite motor. It is shown that the size of the holes feeding the working chambers and their location on the plates closing those chambers depends on the geometrical dimensions of the working mechanism. The overlap in the commutation unit depends on the rotational speed range. It is demonstrated that the geometrical dimensions of the commutation...
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Rapid assessment of the authenticity of limequat fruit using the electronic nose and gas chromatography coupled with mass spectrometry
PublicationCitrus fruits are very popular food products. There are many species and varieties of them. There are also documented cases of some citrus fruits causing a severe allergic reaction. Some species of the citrus fruits, especially hybrid ones show a reduced allergenic effect due to the lack of seeds. There is a need for rapid methods for evaluation of citrus’ botanical origin. During research, the headspace of three citrus fruits...
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The consideration to the dynamic systems parameter identification
PublicationIn this paper, a concept for continuous-time dynamic systems parameter identification using modulating function approach is presented. It refers to linear as well as selected non-linear systems. It shows the possibility of direct application without converting differential equation. In particular cases direct application can decrease the amount of computation in non-linear system identification, which generally requires Fourier...
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Structural Reliability Assessment Of Corroded Tanker Ship Based On Experimentally Estimated Ultimate Strength
PublicationThis work deals with the reliability assessment of a tanker ship hull structure subjected to a vertical bending moment and corrosion degradation. The progressive collapse and ultimate load carrying capacity are estimated based on experimentally tested scaled box-shaped-specimens. The translation of the strength estimate of the scaled specimen to the real tanker ship hull structure is performed based on the dimensional theory developing...
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Detailed studies of superconducting properties of Y2Pd1.25Ge2.75
PublicationWe report a successful synthesis of a high-purity intermetallic germanide Y2Pd1.25Ge2.75, crystallizing in the disordered variant of the AlB2-type structure. A single-phase sample was obtained via arc-melting by deliberately tuning the composition out of the ideal 2:1:3 ratio. Specific heat, electrical resistivity and magnetization measurements show that the compound is a weakly-coupled (λ e-p = 0.58) type-II superconductor with...
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Anionic states of C6Cl6 probed in electron transfer experiments
PublicationThis is the first comprehensive investigation on the anionic species formed in collisions of fast neutral potassium (K) atoms with neutral hexachlorobenzene (C6Cl6) molecules in the laboratory frame range from 10 up to 100 eV. In such ion-pair formation experiments, we also report a novel K+ energy loss spectrum obtained in the forward scattering giving evidence of the most accessible electronic states. The vertical electron affinity...
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Growth, Crystal Structure and Magnetic Characterization of Zn-Stabilized CePtIn4
PublicationThe growth and characterization of CePtIn4, stabilized by 10% Zn substitution for In, is reported. The new material is orthorhombic, space group Cmcm (No. 63), with lattice parameters a = 4.51751(4) Å, b = 16.7570(2) Å, and c = 7.36682(8) Å, and the refined crystal composition has 10% of Zn substituted for In, i.e., the crystals are CePt(In0.9Zn0.1)4. Crystals were grown using a self-flux method: only growths containing Zn yielded...
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Optimization of the femtosecond laser impulse for excitation and the Spin-Orbit mediated dissociation in the NaRb Dimer
PublicationWe study the dynamics of multiple coupled states under the influence of an arbitrary time-dependent external field to investigate the femtosecond laser-driven excitation and the spin-orbit mediated dissociation in the NaRb dimer. In this process, the dimer is excited from the ground triplet state 1^3Sigma+ to the 1^3Pi state using the femtosecond laser impulse and the spin-orbit coupling between the 1^3Pi and 2^1Sigma+ states results...
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Theoretical study of highly-excited states of KRb molecule
PublicationSemi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...
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Differentiation Between Spirits According to Their Botanical Origin
PublicationAgricultural distillates are used for the production of spirit beverages. As more and more products with a specific botanical composition specified on the label are produced (e.g. rye vodkas, wheat vodkas and Polish Vodka, which cannot be produced with the addition of maize distillate), it is necessary to look for quicker and more accurate methods allowing the determination of botanical origin of alcoholic beverages and materials...
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Sensitivity of entanglement decay of quantum-dot spin qubits to the external magnetic field
PublicationWe study the decay of entanglement of quantum-dot electron-spin qubits under hyperfine-interaction-mediated decoherence.We show that two-qubit entanglement of a single entangled initial state may exhibit decay characteristic of two disentanglement regimes in a single sample, when the externalmagnetic field is changed. The transition is manifested by the suppression of time-dependent entanglement oscillations which are superimposed...
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A Subspace-Splitting Moment-Matching Model-Order Reduction Technique for Fast Wideband FEM Simulations of Microwave Structures
PublicationThis article describes a novel model-order reduction (MOR) approach for efficient wide frequency band finite-element method (FEM) simulations of microwave components. It relies on the splitting of the system transfer function into two components: a singular one that accounts for the in-band system poles and a regular part that has no in-band poles. In order to perform this splitting during the reduction process, the projection...
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Spin and Orbital Effects on Asymmetric Exchange Interaction in Polar Magnets: M(IO3)2 (M = Cu and Mn)
PublicationMagnetic polar materials feature an astonishing range of physical properties, such as magnetoelectric coupling, chiral spin textures, and related new spin topology physics. This is primarily attributable to their lack of space inversion symmetry in conjunction with unpaired electrons, potentially facilitating an asymmetric Dzyaloshinskii–Moriya (DM) exchange interaction supported by spin–orbital and electron–lattice coupling. However,...
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Insight into heart regeneration
PublicationThe mammalian heart is thought to be incapable of regeneration because of the limited ability of cardiomyocytes. to proliferate. However, it has been recently shown that the neonatal murine heart is able to restore its normal function after coronary artery ligation or even partial resection. Unfortunately, this feature is lost in a few days after birth, although lower vertebrates as zebrafish or newt, retain this ability until adulthood. Therefore,...
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A large family of filled skutterudites stabilized by electron count
PublicationThe Zintl concept is important in solid-state chemistry to explain how some compounds that combine electropositive and main group elements can be stable at formulas that at their simplest level do not make any sense. The electronegative elements in such compounds form a polyatomic electron-accepting molecule inside the solid, a ‘polyanion’, that fills its available energy states with electrons from the electropositive elements...
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New Tetragonal ReGa5(M) (M = Sn, Pb, Bi) Single Crystals Grown from Delicate Electrons Changing
PublicationSingle crystals of the new Ga-rich phases ReGa~5(Sn), ReGa~5(Pb) and ReGa~5(Bi) were successfully obtained from the flux method. The new tetragonal phases crystallize in the space group P4/mnc (No. 128) with vertex-sharing capped Re2@Ga14 oblong chains. Vacancies were discovered on the Ga4 and Ga5 sites, which can be understood as the direct inclusion of elemental Sn, Pb and Bi into the structure. Heat capacity measurements were...
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Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublicationWe report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m, No. 225) at a critical temperature of Tc = 1.3 K and a normalized heat capacity jump at Tc, ΔC/γTc = 1.1. The low-temperature isothermal magnetization curves imply type-I superconductivity, as previously observed in LiPd2Ge. We show, based on density functional theory calculations and using the molecular orbital theory approach, that while LiPd2Si...
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Effect of Cr and Mn doping on ferroelectric and dielectric properties of Li1.72Na0.28Ge4O9 single crystals
PublicationLi1.72Na0.28Ge4O9 single crystals pure and slightly doped with chromium and manganese, obtained by Czochralski growth, were investigated for their ferroelectric and dielectric properties. The change in stoichometry of Li2− x Na x Ge4O9 (x = 0.28) crystals doped with Cr and Mn (0.1 mol.%) had an influence on the value of ferroelectric-to-paraelectric phase transition temperature, T c. The applied doping affects the T c value by...
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Effect of oxygenation time on signal of a sensor based on ionic liquids
PublicationThe paper presents an oxygen sensor based on ionic liquids and solid electrodes. The following ionic liquids have been employed: [BMIM][BF4], [HMIM][Cl], [BMIM][N(CN2)]. Minimum time of the sensor exposure to analyte, after which the signal (current intensity) was stable, has been evaluated. An impact of volumetric flow rate of analyte on the sensor exposure time and signal has been determined. A product of permeability coefficient...
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Novel topology of compact coplanar waveguide resonant cell low-pass filter
PublicationIn this study, a novel pseudoelliptic function low-pass filter (LPF) constituted by a compact coplanar waveguide resonant cell has been designed and manufactured. The lumped-element seven-pole prototype has been adequately realized by using complementary perturbations located both in signal line and ground plane metallization. The fabricated uniplanar LPF offers a compact size of 5.6 x 9.8 mm2, return loss better than 26 dB over...
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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...
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublicationAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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Channel Blockage and Flow Maldistribution during Unsteady Flow in a Model Microchannel Plate heat Exchanger
PublicationThis paper describes the problem of channel blockage as a result of flow maldistribution between the channels of a model mini channel plate heat exchanger consisting of one pass on each leg. Each leg of the heat exchanger contains 51 parallel and rectangular minichannels of four hydraulic diameters namely 461 μm, 571 μm, 750 μm and 823 μm. In addition, a more complex geometry has been investigated where for the sake of breaking...
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Application of Electronic Nose Based on Fast GC for Authenticity Assessment of Polish Homemade Liqueurs Called Nalewka
PublicationThe possibility of application of electronic nose based on fast GC for differentiation of three types of cherry liqueurs, namely Polish homemade liqueurs called nalewka, commercially available liqueurs labeled as nalewka, and commercial liqueurs, was investigated. This device was equipped with two parallel connected columns with different stationary phases coupled to two ultrasensitive flame ionization detectors (μ-FIDs). Four...
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Evaluation of the suitability of electronic nose based on fast GC for distinguishing between the plum spirits of different geographical origins
PublicationPlum spirits are obtained exclusively via the alcoholic fermentation and distillation of meaty plums or must composed of plums, with or without stones. The European countries such as Poland, the Slovak Republic, the Czech Republic, Bulgaria and Romania are the leading producers of this alcoholic beverage. Information about the authentication of plum spirits produced in different countries can be found in the published literature....
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Experimental examination of an elastomeric polymer
PublicationA new method of repairing damaged structures by filling the cracks with a specially prepared elastomeric polymer mass has been recently proposed. This new and innovative technique, known as the Flexible Joint Method (FJM), is mainly dedicated to masonries and historical objects, where minimum intervention is permitted. The flexible joint bonds the disrupted elements and ensures further safe exploitation of a damaged structure....
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Does the low optical band gap of yellow Bi3YO6 guarantee the photocatalytical activity under visible light illumination?
PublicationBi3YO6, which is known as an ionic conductor, was tested here as an electrode and photoanode in contact with aqueous electrolytes. Bi3YO6 was deposited onto the Pt substrate and the such prepared electrode was polarized in various aqueous electrolytes. The optical energy band gap of the material equal to 1.89 eV was determined using the Kubelka-Munk function resulting from the UV-Vis spectrum (allowed indirect transition) and also...
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Dissociation and fragmentation of furan by electron impact
PublicationDissociation and fragmentation processes that produce electronically excited atomic and molecular fragments, following electron impact excitation, have been studied in furan. The optical excitation technique has been employed over the electron incident energy range 15-95 eV. Formation of excited hydrogen atoms H(n) in the n = 4-10 states has been detected by observation of the Balmer series. The diatomic CH fragments are formed...
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Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds
PublicationPolycrystalline samples of four intermetallic compounds: MV2Al20 (M=Sc, Y, La, and Lu) were synthesized using an arc-melting technique. The crystal structures were analyzed by means of powder x-ray diffraction and Rietveld analysis, and the physical properties were studied by means of heat capacity, electrical resistivity, and magnetic susceptibility measurements down to 0.4 K. For ScV2Al20, LuV2Al20, and YV2Al20, superconductivity...
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Study of ZrS3-based field-effect transistors toward the understanding of the mechanisms of light-enhanced gas sensing by transition metal trichalcogenides
PublicationExtending knowledge of the properties of low-dimensional van der Waals materials, including their reactivity to the ambiance, is important for developing innovative electronic and optoelectronic devices. Transition metal trichalcogenides with tunable optical band gaps and anisotropic conductivity are an emerging class among low- dimensional structures with the possibility of gate tunability and photoreactivity. These properties...
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Pressure-induced phase transitions in LnTe (Ln=La, Gd, Ho, Yb) and AmTe
PublicationThe structural behaviour under compression of different lanthanide (La, Gd, Ho, Yb) and actinide (Am) monochalcogenides is studied by means of in situ high-pressure x-ray diffraction. All the investigated compounds crystallize at ambient conditions within a cubic (B1) NaCl-type structure but show different behaviours at high pressures. LaTe and AmTe undergo B1 to B2 (CsCl-type structure) phase transitions, starting at 9 GPa and...
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublicationWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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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...
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Extraction of information from born-digital PDF documents for reproducible research
PublicationBorn-digital PDF electronic documents might reasonably be expected to preserve useful data units of their source originals that suffice to produce executable papers for reproducible research. Unfortunately, developers of authoring tools may adopt arbitrary PDF generation strategies, producing a plethora of internal data representations. Such common information units as text paragraphs, tables, function graphs and flow diagrams,...
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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...
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A Comprehensive Experimental and Theoretical Study on the[{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}2O Crystalline System
PublicationThe structure of tetraphosphetane zirconium complex C52H100N8OP10Zr21 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology....
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The influence of temperature on properties of the polymer flexible joint used for strengthening historical masonries
PublicationA new method of repairing damaged structures by filling the cracks with a specially prepared elastomeric polymer mass has been recently proposed. This new and innovative technique, known as the Flexible Joint Method (FJM), is mainly dedicated to masonries and historical objects, where minimum intervention is permitted. The flexible joint bonds the disrupted elements and ensures further safe exploitation of a damaged structure....
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Superconductivity and itinerant ferromagnetism of Y9Co7 probed by ac susceptibility
PublicationThe ac magnetic susceptibility of a single crystal sample of the compound Y9Co7 has been measured in applied dc fields ranging from 0–6.7 kOe by utilizing a tunnel diode resonator circuit. In agreement with previous measurements on this material, a superconducting transition has been observed to occur at TSC ≈ 2.5 K. A broad maximum has been observed in the zero field susceptibility measurements from 2.5 K < T < 8 K and its behavior...
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Luminescence recognition material as an INHIBIT logic gate in presence of Pb2+ and Cu2+ ions in aqueous solutions
PublicationA recognition material consisting of silica xerogel with amino-modified surface selectively recognizes Pb2+ and Cu2+ (but only in presence of Pb2+ ions) in aqueous solutions of other metal ions. The analytical action of the material is based on a significant change in luminescence emission spectra of the material after chemisorption of Pb2+ ions. In the presence of Pb2+ in octahedral coordination environment, a new broad and strong...
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Methods of measurement signal acquisition from the rotational flow meter for frequency analysis
PublicationOne of the simplest and commonly used instruments for measuring the flow of homogeneous substances is the rotational flow meter. The main part of such a device is a rotor (vane or screw) rotating at a speed which is the function of the fluid or gas flow rate. A pulse signal with a frequency proportional to the speed of the rotor is obtained at the sensor output. For measurements in dynamic conditions, a variable interval between...
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Determination of pseudocapacitance chan ges of nickel oxide NiO electrode with use of dynamic electrochemical impedancje spectroscopy
PublicationThe electrochemical capacitors (ECs) are attractive energy storage devices which can be applied in many electronic products (e.g., cameras, laptops, cell phones) or hybrid electric vehicles (HEV). The energy storage in ECs is based on capacitive (the electrical double layer charging/discharging) and pseudocapacitive (additional charge provided by faradic reaction) phenomena. Considering the electrodes exhibiting pseudocapacitance,...