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Search results for: magnetic field density (MFD)
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublicationWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Nonlinear impedance of vanadate glass-ceramics containing BaTiO3
Open Research DataThe nonlinear impedance of vanadate glasses doped with BaTiO3 was measured. Samples of the composition of x[BaO,TiO2]–(80 − x)V2O5–20Bi2O3 where x = 5, 10 and 15 in mol% were prepared by a conventional melt quenching technique. The melting was performed in alumina crucibles at the temperature of 1273 K–1373 K. The melts were poured on a preheated (573...
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Application of twin-plane ECT sensor for identification of the internal imperfections inside concrete beams
PublicationThe main purpose of this paper is to investigate application of special construction of Electrical Capacitance Tomography (ECT) sensor to concrete beams internal homogeneity tests. Identification of internal imperfection inside the concrete beams is one of the main problems related to analysis of the construction structure bearing capacity. Therefore, this paper shows attempts to study the measurement prospects for this non-invasive,...
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Advanced Sensor for Non-Invasive Breast Cancer and Brain Cancer Diagnosis Using Antenna Array with Metamaterial-Based AMC
PublicationMicrowave imaging techniques can identify abnormal cells in early development stages. This study introduces a microstrip patch antenna coupled with artificial magnetic conductor (AMC) to realize improved sensor for non-invasive (early-stage) breast cancer and brain cancer diagnosis. The frequency selectivity of the proposed antenna has been increased by the presence of AMC by creating an additional resonance at 2.276 GHz associated...
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New kagome prototype materials: discovery of KV3Sb5, RbV3Sb5, and CsV3Sb5
PublicationIn 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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Jakość usług w optycznej sieci wielodomenowej z hierarchiczną strukturą płaszczyzn sterowania
PublicationW rozprawie przedstawiono przegląd architektur sieci z gwarancją jakości klas usług oraz stan prac w zakresie realizacji optycznych sieci ASON, GMPLS oraz ASON/GMPLS. Opisano wymagania i zaawansowanie prac w realizacji sieci ASON/GMPLS z hierarchiczną strukturą płaszczyzn sterowania oraz problemy związane z zagadnieniem jakości klas usług w tej sieci. Zaprezentowano założenia, koncepcję oraz realizację modelu symulacyjnego optycznej...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublicationIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Investigation on stability of mountainous EUPOS sites’ coordinates
PublicationThe paper concerns analysis of solutions obtained during common processing of data from GNSS permanent stations situated on mountainous terrain: the Western Carpathians, the Sudetes Mountains and adjacent areas. As the outcome daily and weekly solutions (ellipsoidal coordinates) of forty Polish, Czech, Slovak, Ukrainian and German sites were obtained. Weekly solutions were used to determine velocity field and vertical movements,...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublicationThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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Novel sugar-based nickel-tungsten carbide catalysts for dry reforming of hydrocarbons
PublicationThe search for new materials for dry reforming of hydrocarbons with high activity, stability, and ease of synthesis is still one of the main directions of research in the field of heterogeneous catalysis. Traditional methods of carbide synthesis require the use of combustible gases of petrochemical origin. The search for new catalysts based on renewable and safe carbon sources is highly demanded. Therefore, we report WC and Ni-WC...
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On existence and uniqueness of weak solutions for linear pantographic beam lattices models
PublicationIn 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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Design and Experimental Validation of a Metamaterial-Based Sensor for Microwave Imaging in Breast, Lung, and Brain Cancer Detection
PublicationThis study proposes an innovative geometry of a microstrip sensor for high-resolution microwave imaging (MWI). The main intended application of the sensor is early detection of breast, lung, and brain cancer. The proposed design consists of a microstrip patch antenna fed by a coplanar waveguide with a metamaterial layer-based lens implemented on the back side, and an artificial magnetic conductor (AMC) realized on as a separate...
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A fast procedure of stress state evaluation in magnetically anisotropic steels with the help of a probe with adjustable magnetizing field direction
PublicationThe paper presents a novel approach to the stress state evaluation issue. It deals with a strongly (magnetically) anisotropic materials for which a direct interpretation of the Barkhausen effect (BE) intensity would lead to erroneous results. In such a case one has to take into account both the measured BE intensity and the orientation of the magnetisation direction relative to the magnetic easy axis. For the in plane stress distribution...
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Thermal cooling process by nanofluid flowing near stagnating point of expanding surface under induced magnetism force: A computational case study
PublicationThis paper is dedicated to the exam of entropy age and research of the effect of mixing nanosolid additives over an extending sheet. In this review, Newtonian nanofluid version turned into researched at the actuated appealing field, heat radiation and variable heat conductivity results. With becoming modifications, the proven PDEs are moved into popular differential situations and paintings mathematically making use of a specific...
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Highly-Miniaturized Dual-Mode Bandpass Filter Based on Quarter-Mode Substrate Integrated Waveguide with Wide Stopband
PublicationThis paper presents a novel design of a highly-miniaturized dual-mode bandpass filter (BPF) employing a quarter-mode substrate integrated waveguide (QMSIW). The QMSIW resonator is based on a square cavity with metallic vias along two sides, and open-ended edges at the remaining sides that contain orthogonal feed lines. An open slot is introduced along the two sides of the square cavity with metallic vias to form a magnetic wall....
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Broad Stopband, Low-Loss, and Ultra-Compact Dual-Mode Bandpass Filter Based on HMSIRC
PublicationIn this investigation, an ultra-compact dual-mode bandpass filter (BPF) with a wide stopband re-sponse is realized by using a half-mode substrate-integrated rectangular cavity (HMSIRC). The HMSIRC resonator is designed with a cavity that is rectangular in shape and has metallic vias along three of the sides. The fourth side is open-ended and contains microstrip feed lines. For the purpose of constructing a magnetic wall, a rectangular...
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Smart Approach for Glioma Segmentation in Magnetic Resonance Imaging using Modified Convolutional Network Architecture (U-NET)
PublicationSegmentation of a brain tumor from magnetic resonance multimodal images is a challenging task in the field of medical imaging. The vast diversity in potential target regions, appearance and multifarious intensity threshold levels of various tumor types are few of the major factors that affect segmentation results. An accurate diagnosis and its treatment demand strict delineation of the tumor affected tissues. Herein, we focus on...
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Nonlinear high temperature impedance of 35P2O5-30Fe2O3-35Nb2O5 glass
Open Research DataThe nonlinear high temperature impedance of iron- phosphate glasses doped with niobium oxide was measured. Glass samples of the composition of 35P2O5-30Fe2O3-35Nb2O5 (in %mol) were prepared by the conventional melt quenching technique. Appropriate amounts of reagents ((NH4)2HPO4 (≥99.9%, POCH), Fe2O3 (≥99.9%, POCH) and Nb2O5 (≥99.9%, PLUKA AG) were...
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Nonlinear impedance of 58(2Bi2O3-V2O5)-42SrB4O7 glass measured with impedance spectroscopy method at low temperature region
Open Research DataThe nonlinear electrcial properties of 58(2Bi2O3-V2O5)-42SrB4O7 glass was measured by impedance spectroscopy method.
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The Analysis of Working Parameters Decrease in Photovoltaic Modules as a Result of Dust Deposition
PublicationThe aspect of dust accumulation on the surface of photovoltaic (PV) modules should be thoroughly understood in order to minimize possible obstacles affecting energy generation. Several elements affect the amount of pollutant gathered on the surface of a solar device, mainly its localization, which is irreversibly linked to factors such as annual rainfall, occasional snow coverage, or, in a dry climate, increased blow of dust during...
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A random field-based simulational identification of possible levels of material imperfections of adhesive-bonded joints
PublicationRecently, structural adhesives have become significant in the shaping of structural elements, especially in thin-walled structures, where they replace or supplement traditional connection methods. However, adhesive-bonded joints are highly susceptible to internal structural imperfections due to their application technique and the nature of the adhesive. These material inconsistencies impact the strength parameters and the mechanical...
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Study on the wear characteristics of a 3D printed tool in flat lapping of Al2O3 ceramic materials
PublicationWidespread and popular use of ceramic products in various industry sectors necessitates the search for methods of their efficient processing. Lapping technology, which enables obtaining high dimensional and shape accuracy and high surface flatness, is one of the basic methods of finishing hard and brittle technical ceramics with a porous structure. This study analyzed the characteristics and wear value of an SLS-printed abrasive...
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Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublicationACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublicationWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublicationThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
PublicationThe performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light-harvesting efficiency in the visible region, population of long-lived charge separated intermediates, as well as their charge-accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)-based black dye (Ru) incorporating a chromophoric...
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Nonlinear high temperature impedance of 35P2O5-30Fe2O3-27.5Nb2O5-7.5TiO2 glass
Open Research DataThe nonlinear high temperature impedance of iron- phosphate glasses doped with niobium oxide was measured. Glass samples of the composition of 35P2O5-30Fe2O3-27.5Nb2O5-7.5TiO2 (in %mol) were prepared by the conventional melt quenching technique. Appropriate amounts of reagents ((NH4)2HPO4 (≥99.9%, POCH), Fe2O3 (≥99.9%, POCH), Nb2O5 (≥99.9%, PLUKA AG)...
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Nonlinear impedance as a function of A.C. voltage of Bi2VO5.5 ceramic of thickness 2.88 mm was measured at 693 K with impedance spectroscopy method
Open Research DataThe nonlinear electrical properties of Bi2VO5.5 ceramic of thickness 2.88 mm was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of temperature and frequency for Bi2VO5.5 ceramic of thickness 2.52 mm was measured at different A.C. voltage with impedance spectroscopy method
Open Research DataThe nonlinear electrical properties of Bi2VO5.5 ceramic of thickness 2.52 mm was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage of Bi2VO5.5 ceramic of thickness 1.63 mm was measured with impedance spectroscopy method at high temperature region
Open Research DataThe nonlinear electrical properties of Bi2VO5.5 ceramic of thickness 1.63 mm was measured by impedance spectroscopy method.
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Nonlinear impedance of 50(2Bi2O3-V2O5)-50SrB4O7 glass-ceramic heat-treated at 813 K measured with impedance spectroscopy method at high temperature region
Open Research DataNonlinear electrcial properties of 50(2Bi2O3-V2O5)-50SrB4O7 glass-ceramic heat treated at 813 K was measured by impedance spectroscopy method.
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Nonlinear impedance of 58(2Bi2O3-V2O5)-42SrB4O7 glass heat-treated for 3 hours at 693 K, measured with impedance spectroscopy method at low temperature region
Open Research DataThe nonlinear electrcial properties of partially crystallized 58(2Bi2O3-V2O5)-42SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage of Bi2VO5.5 ceramic of thickness 4.03 mm was measured with impedance spectroscopy method at high temperature region
Open Research DataThe nonlinear electrical properties of Bi2VO5.5 ceramic of thickness 4.03 mm was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage of Bi2VO5.5 ceramic of thickness 2.91 mm was measured with impedance spectroscopy method at high temperature region
Open Research DataThe nonlinear electrical properties of Bi2VO5.5 ceramic of thickness 2.91 mm was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of frequency for Bi2VO5.5 ceramic of thickness 2.88 mm was measured at high temperature range with impedance spectroscopy method
Open Research DataThe nonlinear electrical properties of Bi2VO5.5 ceramic of thickness 2.88 mm was measured by impedance spectroscopy method.
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Nonlinear impedance of 5(2Bi2O3-V2O5)-95SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Open Research DataThe nonlinear electrcial properties of 5(2Bi2O3-V2O5)-95SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 58(2Bi2O3-V2O5)-42SrB4O7 glass heat-treated for 10 hours at 693 K, measured with impedance spectroscopy method at low temperature region
Open Research DataThe nonlinear electrcial properties of partially crystallized 58(2Bi2O3-V2O5)-42SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage and temperature for Bi2VO5.5 ceramic of thickness 2.52 mm (after first heat-treatment at 913 K) was measured at different frequencies with impedance spectroscopy method
Open Research DataThe nonlinear electrical properties of Bi2VO5.5 ceramic of thickness 2.52 mm was measured by impedance spectroscopy method.
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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublicationPolycrystalline boron-doped diamond is a promising material for high-power aqueous electrochemical applications in bioanalytics, catalysis, and energy storage. The chemical vapor deposition (CVD) process of diamond forma-tion and doping is totally diversified by using high kinetic energies of deu-terium substituting habitually applied hydrogen. The high concentration of deuterium in plasma induces atomic arrangements and steric...
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublicationIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
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Application of shifted Chebyshev polynomial-based Rayleigh–Ritz method and Navier’s technique for vibration analysis of a functionally graded porous beam embedded in Kerr foundation
PublicationPresent study is dealt with the applicability of shifted Chebyshev polynomial based Rayleigh-Ritz method and Navier’s technique on free vibration of Functionally Graded (FG) beam with uniformly distributed porosity along the thickness of the beam. The material properties such as Young’s modulus, mass density, and Poisson’s ratio are also considered to vary along the thickness of the FG beam as per the power-law exponent model....
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Bulk-Surface Modification of Nanoparticles for Developing Highly-Crosslinked Polymer Nanocomposites
PublicationSurface modification of nanoparticles with functional molecules has become a routine method to compensate for diffusion-controlled crosslinking of thermoset polymer composites at late stages of crosslinking, while bulk modification has not carefully been discussed. In this work, a highly-crosslinked model polymer nanocomposite based on epoxy and surface-bulk functionalized magnetic nanoparticles (MNPs) was developed. MNPs were...
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Segmentation Quality Refinement in Large-Scale Medical Image Dataset with Crowd-Sourced Annotations
PublicationDeployment of different techniques of deep learning including Convolutional Neural Networks (CNN) in image classification systems has accomplished outstanding results. However, the advantages and potential impact of such a system can be completely negated if it does not reach a target accuracy. To achieve high classification accuracy with low variance in medical image classification system, there is needed the large size of the...
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Removal of lead ions from wastewater using lanthanum sulfide nanoparticle decorated over magnetic graphene oxide
PublicationIn this study, the new lanthanum sulfide nanoparticle (La2S3) was synthesized and incorporated onto magnetic graphene oxide (MGO) sheets surface to produce potential adsorbent (MGO@LaS) for efficient removal of lead ions (Pb2+) from wastewater. The synthesized MGO@LaS adsorbent was characterized using Fourier transform infrared spectroscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. The...
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Conception and design of a hybrid exciter for brushless synchronous generator. Application for autonomous electrical power systems = Koncepcja i projekt hybrydowej wzbudnicy bezszczotkowego generatora synchronicznego. Zastosowanie w autonomicznych systemach elektroenergetycznych
PublicationIn this paper a hybrid excitation system for a brushless synchronous generator working with variable speed in an autonomous energy generation system (e.g. airplane power grid) has been presented. A conception of a dual-stator hybrid exciter has been proposed. Comparison study of classical and hybrid exciter has been carried out. For the electromagnetic calculation two approaches have been applied: an analytical approach (based...
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Effect of bio-based components on the chemical structure, thermal stability and mechanical properties of green thermoplastic polyurethane elastomers
PublicationIt seems to be obvious that conditions changes during polyols synthesis have impact on the polyols properties. Even the chemical formula is the same or similar, physicochemical properties and also molecular weight of polyols might be different and are significant in term of future polyurethanes properties and processing. In this work, fully bio-based poly(propylene succinate)s synthesized at different temperature conditions were...
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Nonlinear impedance of 50(2Bi2O3-V2O5)-50SrB4O7 glass heat treated at 693 K measured with impedance spectroscopy method at high temperature region
Open Research DataThe nonlinear electrcial properties of 50(2Bi2O3-V2O5)-50SrB4O7 glass heat treated at 693 K was measured by impedance spectroscopy method.
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Nonlinear impedance of 50(2Bi2O3-V2O5)-50SrB4O7 glass heat treated two times measured with impedance spectroscopy method at high temperature region
Open Research DataThe nonlinear electrcial properties of 50(2Bi2O3-V2O5)-50SrB4O7 glass heat treated two times was measured by impedance spectroscopy method.
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Nonlinear impedance of Bi2VO5.5 ceramic of thickness 2.52 mm (after second heat-treatment at 913 K) was measured at high temperature range with impedance spectroscopy method
Open Research DataThe nonlinear electrical properties of Bi2VO5.5 ceramic of thickness 2.52 mm (after second heat-treatment at 913 K) was measured by impedance spectroscopy method.
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Nonlinear impedance of 50(2Bi2O3-V2O5)-50SrB4O7 glass-ceramic heat-treated at 613 K measured with impedance spectroscopy method at high temperature region
Open Research DataNonlinear electrcial properties of 50(2Bi2O3-V2O5)-50SrB4O7 glass-ceramic heat treated at 613 K was measured by impedance spectroscopy method.