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Search results for: PHASE TRANSITIONS
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PHASE TRANSITIONS
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Mechanism of the phase transitions in MnAs
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Lattice Dynamics and Structural Phase Transitions in Eu2O3
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Pressure- and temperature-driven phase transitions in HgTe quantum wells
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Phase Transitions in Pores: Experimental and Simulation Studies of Melting and Freezing
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Extended non-linear relations of elastic shells undergoing phase transitions
PublicationThe non-linear theory of elastic shells undergoing phase transitions was proposed by two first authors in J. Elast. 79, 67-86 (2004). In the present paper the theory is extended by taking into account also the elastic strain energy density of the curvilinear phase interface as well as the resultant forces and couples acting along the interface surface curve itself. All shell relations are found from the variational principle of...
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Effect of structure modification with potassium on grains layer creation process and phase transitions
PublicationZbadano szkła germanianowo-ołowiowe i krzemianowo bizutowe. Wartwy metalicznych granul wytwarzano w nich poprzez redukcję powierzchni w atmosferze wodoru. Praca dotyczy wpływu potasu na tworzenie się warstwy granul oraz na procesy topnienia i krzepnięcia granul w trakcie obróbki termicznej.
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Phase transitions and microstructure of emulsion systems prepared with acylglycerols/zinc stearate emulsifier
PublicationZbadano przemiany fazowe jakim ulegają układy emulsyjne w czasie procesu emulgowania, prowadzonego w obecności emulgatora acyloglicerolowego modyfikowanego stearynianem cynku. Rodzaj przemian mikrostrukturalnych jakim ulegały emulsje zależny był w głównej mierze od temperatury oraz zawartości fazy wodnej. Obserwowano powstawanie emulsji typu W/O, która wraz z obniżaniem temperatury ulegała inwersji prowadzącej do powstania dyspersji...
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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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Structural phase transitions and photoluminescence properties of oxonitridosilicate phosphors under high hydrostatic pressure
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Phase Transitions and Structural Changes in DPPC Liposomes Induced by a 1-Carba-Alpha-Tocopherol Analogue
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Structural phase transitions in multicomponent La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) oxides
PublicationIn this work, the influence of compositional complexity on the structural and thermal properties of multicomponent rare-earth ortho-niobates from the La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) series have been investigated. Based on X-ray powder diffraction studies using synchrotron radiation, it was found that all tested materials were pure single-phase compositions and showed stability in the monoclinic I2/c crystal...
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Study of Phase Transitions Occurring in a Catalytic System of ncFe-NH3/H2 with Chemical Potential Programmed Reaction (CPPR) Method Coupled with In Situ XRD
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Critical behaviour of the smectic A*–C* phase transition and electroclinic effect of ferroelectric liquid crystals with terphenyl rigid core
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Layer contraction of smectic liquid crystals and the compensation model
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Superconductivity in amorphous thin films of tin–copper
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Magnetic properties of BiFeO3micro-cubes synthesized by microwave agitation
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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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On phase equilibrium of an elastic liquid shell with wedge disclination
PublicationBased on the six-parameter shell theory we consider the phase equilibrium of a two-phase liquid membrane containing a wedge disclination. The considered problems are related to modelling of phase transitions in biological or lipid membranes. In order to capture the membrane behaviour we consider a special case of elastic shells which energy is invariant under major transformations of a reference configuration and can be treated...
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Large magnetoresistance and first-order phase transition in antiferromagnetic single-crystalline EuAg4Sb2
Publicationpresent the results of a thorough investigation of the physical properties of single crystals using magnetization, heat capacity, and electrical resistivity measurements. High-quality single crystals, which crystallize in a trigonal structure with space group , were grown using a conventional flux method. Temperature-dependent magnetization measurements along different crystallographic orientations confirm two antiferromagnetic...
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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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AFM analysis of duplex steel structure and composition
Open Research DataDue to the high content of alloying elements, duplex stainless steels are characterized by a complex structure of phase transitions. Among all types of intermetallic compounds, the sigma phase is of major interest due to its detrimental effect on both mechanical properties and corrosion behavior. It is an intermetallic phase enriched in Cr and Mo and...
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Evolution of magnetic and transport properties in (Cr1−xMnx)2AlC MAX-phase synthesized by arc melting technique
PublicationHerein we initiate a comeback to the arc melting technique to produce MAX-phase solid solutions. Bulk samples of (Cr1−xMnx)2AlC MAX-phase with X = 0, 0.025, 0.05 and 0.1 were synthesized and studied by means of X-ray diffractometry, scanning electron microscopy in combination with energy-dispersive X-ray spectroscopy. Samples were established to be homogeneous with an incorporation of Cr7C3, AlCr2 and Al2O3 secondary phases which...
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The σ-phase superconductors Nb20.4Rh5.7Ge3.9 and Nb20.4Rh5.7Si3.9
PublicationWe show that the previously unreported ternary σ phases Nb20.4Rh5.7Ge3.9 and Nb20.4Rh5.7Si3.9 are both superconductors with Tc values of approximately 1.9 K. The superconducting transitions were characterized through temperature-dependent magnetic susceptibility, electrical resistance, and specific heat measurements. The Sommerfeld constants, γ, for Nb20.4Rh5.7Ge3.9 and Nb20.4Rh5.7Si3.9 are 89(1) mJ mol-f.u.−1K−2 and 86(1) mJ mol-f.u.−1K−2...
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Singular Surface Curves in the Resultant Thermodynamics of Shells
PublicationWithin six-parameter shells theory we discuss the governing equations of shells with material or non-material singular curves. By singular curve we mean a surface curve where are discontinuities in some surface fields. As an example we consider shells with junctions and shells undergoing stress-induced phase transitions.
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Anisotropic magnetism of polymorphic ErAl3
PublicationErAl3 can form in either a trigonal () or cubic () polymorph and this paper investigates the physical properties of these polymorphs through characterizations of single crystals grown in an aluminum flux. We demonstrate that polymorph selection can be achieved based on the nominal composition of the crystal growth. Magnetic measurements confirm that both −ErAl3 and −ErAl3 order antiferromagnetically at low temperatures. −ErAl3...
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The pulse width modulation strategy for a five-phase three-level NPC voltage source inverter with DC-link voltage balancing ability
PublicationThe doctoral dissertation is all about the development of the space vector modulation algorithm for controlling the generation of output voltage vectors in a three-level, five-phase NPC inverter. The developed algorithm can be used to control five-phase motors, where it will be possible to increase the motor torque by 15%; by appropriate injection of 3rd harmonic current. The proposed control approach also opens up the possibility...
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Electron energy-loss spectroscopy of excited states of the pyridine molecules
PublicationElectron energy-loss spectra of the pyridine, C5H5N, molecules in the gas phase have been measured to investigate electronic excitation in the energy range 3.5–10 eV. The applied wide range of residual electron energy and the scattering angle range from 10 ◦ to 180 ◦ enabled to differentiate between optically-allowed and -forbidden transitions. These measurements have allowed vertical excitation energies of the triplet excited...
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Broadband Compact Single-Layer Magic-T Junction with Separation of DC Signals between All Ports
PublicationA novel structure for a four-port microstrip magic-T junction is presented. The device is composed of microstrip and slotline circuits etched onto two sides of a dielectric substrate. The device is extremely compact and occupies an area more than three times smaller than similar structures recently reported in the literature. The novelty of the device lies in the use of microstrip/slotline transitions for both input ports: summation...
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Influence of Sn and Pb Ions Substitutions on Dielectric Properties of Barium Titanate
PublicationThe results of the microstructural and dielectric measurements of (Ba1-xPbx)(Ti1-xSnx)O3 (BPTSx) (x = 0, 0.05, 0.10, 0.30) polycrystalline samples are presented. The samples were obtained by means of a high temperature synthesis and their expected stoichiometry was confirmed by energy dispersive spectroscopy (EDS) measurements. The dielectric properties of BPTSx were studied with the use of broadband dielectric spectroscopy. The...
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Structural and optical investigations of sol-gel derived lithium titanate thin films
Publicationin this paper structural and optical studies of lithium titanate (lto) thin films are presented. nanocrystalline thin films with 800 nm thickness were prepared by sol-gel method. to examine the influence of the annealing time on as-prepared films crystallization, the coatings were heated at 550 °c for 10, 20 and 80 h. structure of manufactured thin films was investigated using x-ray diffraction (xrd). the most visible lithium titanate...
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Anomalous decay of quantum correlations of quantum-dot qubits
PublicationWe study the evolution of quantum correlations, quantified by the geometric discord, of two excitonic quantum-dot qubits under the influence of the phonon environment. We show that the decay of these correlations differs substantially from the decay of entanglement. Instead of displaying sudden-death-type behavior, the geometric discord shows a tendency to undergo transitions between different types of decay, is sensitive to nonlocal...
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Influence of orientational disorder on the optical absorption properties in hybrid metal‐halide perovskite CH3NH3PbI3. A combined DFT/TD‐DFT and experimental study.
PublicationAn experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH3NH3PbI3 in the tetragonal phase. More than 3000 geometry optimizations were performed in order to reveal the structural disorder and to identify structures with the lowest energies. The electronic structure calculations provide an averaged band gap of 1.674 eV, which is in excellent agreement...
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Interaction of cisplatin and two potential antitumoral platinum(ii) complexes with a model lipid membrane: a combined NMR and MD study
PublicationIn this study, the interaction of cisplatin (1) and two potential antitumoral Pt(II) complexes (2 and 3) with a model DMPC bilayer was investigated by multinuclear NMR spectroscopy and MD simulations in order to understand its implication for the different antitumoral properties shown by the three complexes. In particular, 31P, 13C and 2H solid state NMR experiments were performed to obtain information on the phase structure, phase...
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Effect of Semiconductor Element Substitution on the Electric Properties of Barium Titanate Ceramics
PublicationThe investigated ceramics were prepared by a solid-state reaction from simple oxides and carbonates with the use of a mixed oxide method (MOM). The morphology of BaTi0.96Si0.04O3 (BTSi04) ceramics was characterised by means of a scanning electron microscopy (SEM). It was found that Si+4 ion substitution supported the grain growth process in BT-based ceramics. The EDS results confirmed the high purity and expected quantitative composition...
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Numerical investigations of discrete crack propagation in Montevideo splitting test using cohesive elements and real concrete micro-structure
PublicationThe paper is aimed at accurately predicting the discrete fracture process in concrete specimens under complex stress states in two dimensional (2D) simulations. Plain concrete specimens subjected to Montevideo splitting test (MVD) were used for consideration due to non-negligible shear stresses impact in this type of test. In order to reflect the heterogeneous nature of the concrete, the meso-structure of the samples was included...
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Comprehensive thermodynamic analysis of steam storage in a steam cycle in a different regime of work: A zero-dimensional and three-dimensional approach
PublicationDue to the current trends aiming to reduce carbon dioxide emissions by increasing the use of renewable energy sources, changes are required in the operation of coal-fired steam units. The unstable nature of renewable energy sources, depending on weather conditions, means that the amount of energy produced varies and is not always in line with peak demand. To ensure the security and stability of energy supplies in the energy system,...
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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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Charge Transport in the A6B2O17 (A = Zr, Hf; B = Nb, Ta) Superstructure Series
PublicationThe electrical properties of the entropy stabilized oxides: Zr6Nb2O17, Zr6Ta2O17, Hf6Nb2O17 and Hf6Ta2O17 were characterized. The results and the electrical properties of the products (i.e. ZrO2, HfO2, Nb2O5 and Ta2O5) led us to hypothesize the A6B2O17 family is a series of mixed ionic-electronic conductors. Conductivity measurements in varying oxygen partial pressure were performed on A6Nb2O17 and A6Ta2O17. The results indicate...
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Cathodes for Sodium‑Ion Batteries
PublicationAdvances in lithium-ion battery (LIBs) technology have improved living conditions around the globe. However, there are increasing concerns regarding the sustainability and criticality of materials (lithium and cobalt) for LIBs. Considering sodium’s superiority in cost and abundance, the development of electrode materials for sodium-ion batteries (NIBs) has been intensively revisited. Limited types of structures are suitable for...
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Fe3–xInSnxO6 (x = 0, 0.25, or 0.5): A Family of Corundum Derivatives with Sn-Induced Polarization and Above Room Temperature Antiferromagnetic Ordering
PublicationThree new double corundum derivative compounds, Fe3−xInSnxO6 (x = 0. 0.25, or 0.5), were synthesized at high pressure and temperature (6 GPa and 1400− 1450 °C). All of the compounds order antiferromagnetically well above room temperature (TN = 608, 532, and 432 K for x = 0, 0.25, and 0.5, respectively). The x = 0 phase crystallizes as centrosymmetric R3̅c, but the inclusion of closed-shell d10 Sn4+ induces x = 0.25 and 0.5 to crystallize...
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Neutral Dissociation of Pyridine Evoked by Irradiation of Ionized Atomic and Molecular Hydrogen Beams
PublicationThe interactions of ions with molecules and the determination of their dissociation patterns are challenging endeavors of fundamental importance for theoretical and experimental science. In particular, the investigations on bond-breaking and new bond-forming processes triggered by the ionic impact may shed light on the stellar wind interaction with interstellar media, ionic beam irradiations of the living cells, ion-track nanotechnology,...
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Asymmetric Renyi Problem and > PATRICIA Tries
PublicationIn 1960 R´enyi asked for the number of random queries necessary to recover a hidden bijective labeling of n distinct objects. In each query one selects a random subset of labels and asks, what is the set of objects that have theselabels? Weconsider here anasymmetric version of the problem in which in every query an object is chosenwith probability p > 1/2 and we ignore “inconclusive” queries. We study the number of queries needed...
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The luminescence study of Bi-doped Cs2AgInCl6 double perovskite.
Open Research DataHere, we report a halide precursor acid precipitation method to synthesize Cs2AgIn1−xBixCl6 (x = 0, 0.02, 0.04, 0.08, 0.16, 0.32, 0.64, and 1) microcrystals. Cs2AgInCl6 and Bi derivative double perovskites show broadband white light emission via self-trapped excitons (STEs) and have achieved the highest internal quantum efficiency of up to 52.4% at...
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The ab initio and experimental study of the spectroscopic and magnetic properties of Ho(III)-EDTA
Open Research DataIn this dataset, the ab initio calculations of the electronic structure and the magnetic properties are discussed in the context of the experimental data for the Ho–EDTA complex. In the calculations different models of the cluster have been applied to examine the influence of various parts of the environment of the Ho(III)-EDTA complex on its properties....
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Optical measurements of lithium titanate sol-gel derived thin films
Open Research DataNanocrystalline thin films with 800 nm thickness were prepared by sol–gel method. To examine the influence of the annealing time on as-prepared films crystallization, the coatings were heated at 550 °C for 10, 20 and 80 h. On the basis of transmission characteristic optical properties were calculated. It was found that transmission through the thin...
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A concept of zero-dimensional and three-dimensional thermodynamic modelling of steam storage in a steam cycle
PublicationThis work presents the thermodynamic model of steam storage in a steam cycle. The innovative steam storage is an integral part of the unit and thus responds quickly to changes in load. This enhances the primary control reserve while maintaining high efficiency of energy conversion. With regard to power plants, it improves the operational safety of generation units, as it prevents boiler and turbines overload in the case of steep...
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Wild oscillations in a nonlinear neuron model with resets: (I) Bursting, spike-adding and chaos
PublicationIn a series of two papers, we investigate the mechanisms by which complex oscillations are generated in a class of nonlinear dynamical systems with resets modeling the voltage and adaptation of neurons. This first paper presents mathematical analysis showing that the system can support bursts of any period as a function of model parameters, and that these are organized in a period-incrementing structure. In continuous dynamical...
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A simple model of the trap-assisted recombination with the excitonic Auger mechanism
PublicationWe present a simple model of the trap-assisted recombination combined with the excitonic Auger mechanism. It has been shown that only six independent transitions of electrons and holes should be taken into account to describe a combination of the Shockley–Read–Hall (SRH) recombination with this excitonic process. This is in opposition to a well-known model of the SRH mechanism with the free carriers Auger effect via deep states,...
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Tellurite based glass doped by Eu3+ ions - XPS measurements
Open Research DataEu3+ doped tellurite glass ceramics containing SrF2 nanocrystals were prepared using melt quenching technique and subsequent heat treatment of glass in 370 °C for different time periods. Thermal properties of glass matrix have been determined based on DSC measurements. XRD and XPS results confirmed formation of SrF2 nanocrystals in glass matrices after...