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Search results for: FLEXOMAGNETICITYVIBRATION STUDYMULTI-PHYSIC BEAMROTARY INERTIANONLOCAL ELASTICITY
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Low-Dimensional Magnetic Semimetal Cr0.65Al1.35Se3
PublicationWhile exploring novel magnetic semiconductors, the new phase Cr0.65Al1.35Se3 was discovered and characterized by both structural and physical properties. Cr0.65Al1.35Se3 was found to crystallize into orthorhombic CrGeTe3-type structure with space group Pnma (no. 62). Vacancies and mixed occupancies were tested, and the results show that one of the 4c sites accommodates a mixture of Cr and Al atoms, while the other 4c site is fully...
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AutoCAD: Examination of Factors Influencing User Adoption
PublicationThe primary purpose of the research is to examine and validate determinants of user intention to use AutoCAD software, utilising the constructs from prior studies in a more integrated model. The paper proposes a revised Technology Acceptance Model (TAM) for measuring the adoption of AutoCAD. In the study, a latent construct PPA (perceived physical accessibility) was added to the proposed research model as a new determinant of AutoCAD...
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Implementacja w technologii radia programowalnego transceivera opartego na technice OFDM pracującego w trybie dupleksu czasowego
PublicationTechnika OFDM jest obecnie jedną z najbardziej popularnych metod realizacji szybkiej transmisji danych w warstwie fizycznej współczesnego systemu radiokomunikacyjnego. Choć jej wykorzystanie w technologii radia programowalnego w celu realizacji jednokierunkowej transmisji jest dość powszechne, to wciąż trudno znaleźć przykłady implementacji łączy dwukierunkowych czasu rzeczywistego, w szczególności tych opartych na trybie dupleksu...
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Mechanism of antifreeze protein functioning and the “anchored clathrate water” concept
PublicationIn liquid water, there is a natural tendency to form aggregates that consist of water molecules linked by hydrogen bonds. Such spontaneously formed aggregates are surrounded by a "sea" of disordered water molecules, with both forms remaining in equilibrium. The process of creating water aggregates also takes place in the solvation water of proteins, but in this case the interactions of water molecules with the protein surface shift...
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Low-frequency noise in Au-decorated graphene–Si Schottky barrier diode at selected ambient gases
PublicationWe report results of the current–voltage characteristics and low-frequency noise in Au nanoparticle (AuNP)-decorated graphene–Si Schottky barrier diodes. Measurements were conducted in ambient air with addition of either of two organic vapors, tetrahydrofuran [(CH2)4O; THF] and chloroform (CHCl3), as also during yellow light illumination (592nm), close to the measured particle plasmon polariton frequency of the Au nanoparticle...
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Unusual dynamics and nonlinear thermal self-focusing of initially focused magnetoacoustic beams in a plasma
PublicationUnusual thermal self-focusing of two-dimensional beams in plasma which axis is parallel to the equilibrium straight magnetic field is considered. The equi- librium parameters of plasma determine scenario of a beam divergence (usual or unusual) which is stronger as compared with a flow without magnetic field. Nonlinear thermal self-action of a magnetosonic beam behaves differently in the ordinary and unusual cases. Damping of wave...
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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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Formation of OH Radicals as Evidence of Intramolecular Hydrogen Migration in Cation-Induced Dissociation of Furan Molecules
PublicationWe present the experimental results on a hydrogen atom migration preceding fragmentation of the furan molecules induced by the H3+ and C+ impact. The excited OH(A2Σ+) radical has been detected among the furan decomposition products using collision-induced emission spectroscopy. However, the OH moiety is absent in the furan ring skeleton, so detecting the OH(A2Σ+→X2Π) luminescence indicates the intramolecular H atom relocation prior...
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Monitoring of lysozyme thermal denaturation by volumetric measurements and nanoDSF technique in the presence of N-butylurea
PublicationThe results of thermal studies of denaturation of hen egg white lysozyme (HEWL) in water and an aqueous solution of N-butylurea (BU) are presented. High-precision densimetric measurements were used to characterize and analyze the changes of the specific volume, v, during temperature elevation. The temperature of the midpoint of protein denaturation was also determined by nanoDSF technique (differential scanning fluorimetry). The...
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Photovoltaic effect in the single-junction DBP/PTCBI organic system under low intensity of monochromatic light
PublicationPhotoelectric properties of the planar ITO/MoO3/DBP/PTCBI/BCP/Ag system were characterized on the basis of short-circuit current, open-circuit voltage and absorption spectra, and current-voltage measurements in the dark and under monochromatic illumination of low intensity. Photovoltaic performance of the system was compared with the performance of ideal semiconductor and excitonic cells of chosen bandgaps. Such analysis shows,...
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Measurement report: Spatial variations in ionic chemistry and water-stable isotopes in the snowpack on glaciers across Svalbard during the 2015–2016 snow accumulation season
PublicationThe Svalbard archipelago, located at the Arctic sea-ice edge between 74 and 81∘ N, is ∼60 % covered by glaciers. The region experiences rapid variations in atmospheric flow during the snow season (from late September to May) and can be affected by air advected from both lower and higher latitudes, which likely impact the chemical composition of snowfall. While long-term changes in Svalbard snow chemistry have been documented in...
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Stability and phase transition investigation of olanzapine polymorphs
PublicationWe use electrical embedded-fragment QM method with both DFT/ωB97XD/6-31G* and MP2/6-31G* to investigate the phase transformations of olanzapine. Gibbs free energy calculations predict that form I is always the most stable structure and form II is the least stable one, while form IV is more stable than form III below about 200 K but less stable above this temperature, implying a polymorphic phase transformation. This may account...
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Room temperature depinning of the charge-density waves in quasi-two-dimensional 1T-TaS2 devices
PublicationWe report on the depinning of nearly commensurate charge-density waves in 1T-TaS2 thin films at room temperature. A combination of the differential current–voltage measurements with the low-frequency noise spectroscopy provides unambiguous means for detecting the depinning threshold field in quasi-2D materials. The depinning process in 1T-TaS2 is not accompanied by an observable abrupt increase in electric current—in striking contrast...
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Elemental and water-insoluble organic carbon in Svalbard snow: a synthesis of observations during 2007–2018
PublicationLight-absorbing carbonaceous aerosols emitted by biomass or fossil fuel combustion can contribute to amplifying Arctic climate warming by lowering the albedo of snow. The Svalbard archipelago, being near to Europe and Russia, is particularly affected by these pollutants, and improved knowledge of their distribution in snow is needed to assess their impact. Here we present and synthesize new data obtained on Svalbard between 2007...
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Electron attachment to representative cations composing ionic liquids
PublicationUsing ab initio electronic structure methods with flexible atomic orbital basis sets, we investigated the electronic structure and stability of reduction products of selected representative cations (C+) constituting ionic liquids. We found that an electron attachment to such cations leads to the neutral radicals, whereas a subsequent attachment of another (i.e., excess) electron leads to adiabatically stable anions only in two...
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Arithmetic Loophole in Bell's Theorem: Overlooked Threat to Entangled-State Quantum Cryptography
PublicationBell’s theorem is supposed to exclude all local hidden-variable models of quantum correlations. However,an explicit counterexample shows that a new class of local realistic models, based on generalized arith-metic and calculus, can exactly reconstruct rotationally symmetric quantum probabilities typical oftwo-electron singlet states. Observable probabilities are consistent with the usual arithmetic employedby macroscopic observers...
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Spontaneous electron emission vs dissociation in internally hot silver dimer anions
PublicationReferring to a recent experiment, we theoretically study the process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag. The ground state potential energy curves of the silver molecules of diatomic neutral and negative ion were calculated using proper pseudo-potentials and atomic basis sets. We also estimated the non-adiabatic...
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Generation-recombination and 1/f noise in carbon nanotube networks
PublicationThe low-frequency noise is of special interest for carbon nanotubes devices, which are building blocks for a variety of sensors, including radio frequency and terahertz detectors. We studied noise in as-fabricated and aged carbon nanotube networks (CNNs) field-effect transistors. Contrary to the majority of previous publications, as-fabricated devices demonstrated the superposition of generation-recombination (GR) and 1/f noise...
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The description of non-linear interactions of wave and non-wave modes in a non-adiabatic plasma flow
PublicationThe method of derivation of non-linear equations for interacting modes is explained and applied to a plasma's flow affected by a magnetic field. It is based on the linear projecting of the total perturbation field into specific variations of variables in individual modes of a flow. The method may be applied in many examples of fluid flows with different mechanisms of non-adiabaticity. It is of special importance in complex flows...
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublicationWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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Limits Theorems for Random Walks on Homeo(S1)
PublicationThe central limit theorem and law of the iterated logarithm for Markov chains corresponding to random walks on the space Homeo(S1) of circle homeomorphisms for centered Lipschitz functions and every starting point are proved.
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Relations between magnetosonic perturbations as an indicator of a magnetosonic exciter and equilibrium parameters of a plasma
PublicationThe thermodynamic relations between perturbation of pressure and pertur- bation of mass density and between components of velocity which specify a magnetosonic wave are theoretically studied. A planar flow with the wave vec- tor forming a constant angle with the equilibrium magnetic field is investigated. The theory considers deviation from the adiabaticity of a flow due to some kind of heating–cooling function and thermal conduction...
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Quantum security and theory of decoherence
PublicationWe sketch a relation between two crucial, yet independent, fields in quantum information research, viz. quantum decoherence and quantum cryptography. We investigate here how the standard cryptographic assumption of shielded laboratory, stating that data generated by a secure quantum device remain private unless explicitly published, is disturbed by the einselection mechanism of quantum Darwinism explaining the measurement process...
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Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
PublicationAbsolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The...
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Hybrid no-signaling-quantum correlations
PublicationFundamental investigations in non-locality have shown that while the no-signaling principle alone is not sufficient to single out the set of quantum non-local correlations, local quantum mechanics and no-signaling together exactly reproduce the set of quantum correlations in the two-party Bell scenario. Here, we introduce and study an intermediate hybrid no-signaling quantum set of non-local correlations that we term HNSQ in the...
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Nanomaterials for photothermal and photodynamic cancer therapy
PublicationIn recent years, the role of optically sensitive nanomaterials has become powerful moieties in therapeutic techniques and has become particularly emphasized. Currently, by the extraordinary development of nanomaterials in different fields of medicine, they have found new applications. Phototherapy modalities, such as photothermal therapy (PTT) by toxic heat generation and photodynamic therapy (PDT) by reactive oxygen species, are...
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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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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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Sum-over-state expressions including second-order Herzberg–Teller effects for the calculation of absorption and resonance Raman intensities
PublicationThe sum-over-state expressions are derived to calculate the second-order Herzberg–Teller (HT) effects in absorption and resonance Raman spectroscopies. These effects depend on the second derivatives of the transition dipole moment with respect to the vibrational coordinates. The method is applied to the molecule of 1,3-butadiene using density functional theory calculations. It is found that the second-order HT effects are significant...
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Simple sufficient condition for subspace to be completely or genuinely entangled
PublicationWe introduce a simple sufficient criterion, which allows one to tell whether a subspace of a bipartite or multipartite Hilbert space is entangled. The main ingredient of our criterion is a bound on the minimal entanglement of a subspace in terms of entanglement of vectors spanning that subspace expressed for geometrical measures of entanglement. The criterion is applicable to both completely and genuinely entangled subspaces. We...
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PHOTON LUMINESCENCE STUDIES OF TETRAHYDROFURAN FOLLOWING TRIHYDROGEN CATIONS IMPACT IN THE 20–1000 EV ENERGY RANGE
PublicationPhoton emission arising during tetrahydrofuran (C4H8O, THF) fragmentation initiated by H3 + ion impact has been studied experimentally. Luminescence fragmentation spectra and the relative emission cross-sections of the excited fragments have been measured using collision-induced emission spectroscopy in the 20–1000 eV energy range. The main features in the spectra are the H Balmer series lines, whose intensities decrease with increasing...
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Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE
PublicationThis paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation framework to be used in many new fields such as quantum mechanics. The implementation details and associated gains in the accuracy of the results are discussed. Besides the "standard" double (64 bits)...
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Topological, nonreciprocal, and multiresonant slow light beyond the time-bandwidth limit
PublicationTopologically protected transport has recently emerged as an effective means to address a recurring problem hampering the field of slow light for the past two decades: its keen sensitivity to disorders and structural imperfections. With it, there has been renewed interest in efforts to overcome the delay-time-bandwidth limitation usually characterizing slow-light devices, on occasion thought to be a fundamental limit. What exactly...
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Fragmentation of isoxazole molecules by electron impact in the energy range 10–85eV
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Influence of Twinning on Local Electronic Properties of ZnSe
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Luminescence and Scintillation Properties of CexLa1-xF3Monocrystals
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Optical and Electrical Properties of Iodine Doped n-Type ZnSe Crystals
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Polyrhodanine cobalt ferrite (PRHD@CoFe2O4) hybrid nanomaterials - Synthesis, structural, magnetic, cytotoxic and antibacterial properties
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Raman Study on Doped Multiwalled Carbon Nanotubes
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Covalent conjugation of graphene oxide with methotrexate and its antitumor activity
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Single-wall carbon nanotubes based anticancer drug delivery system
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Iron filled single-wall carbon nanotubes – A novel ferromagnetic medium
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Carbon nanotubes decorated by mesoporous cobalt oxide as electrode material for lithium-ion batteries
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The catalytic potential of high-κ dielectrics for graphene formation
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Resonance Raman Study on Carbon Nanotubes Formation
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Magnetic properties of Co/Pd multilayered films on porous Al2O3 templates with developed cell substructure
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Lyotropic liquid crystal based on zinc oxide nanoparticles obtained by microwave solvothermal synthesis
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Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field
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A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation
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Extension of the force-matching method to coarse-grained models with axially symmetric sites to produce transferable force fields: Application to the UNRES model of proteins
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