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Rok 2019
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Matematyczne spojrzenie na reakcje chemiczne
PublikacjaModelowanie matematyczne jest pewnego rodzaju sztuką opisywania świata — zarówno w skali mikro jak i makro — za pomocą równań matematycznych (równań różniczkowych, różnicowych czy stochastycznych).
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Monosubstituted hydrazone β-cyclodextrin derivatives for pH-sensitive complex formation with aromatic drugs
PublikacjaA new and convenient synthetic pathway was developed to produce monosubstituted cyclodextrins with high yields. Each of the β-cyclodextrin derivatives described in this work has an aromatic substituent connected with cyclodextrin core by a pH-sensitive hydrazone linker and a carbon chain. Carbon chains differ in lengths having one or three carbon atoms. The correlation between water solubility and linker length was determined using...
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Mountain pass type periodic solutions for Euler–Lagrange equations in anisotropic Orlicz–Sobolev space
PublikacjaUsing the Mountain Pass Theorem, we establish the existence of periodic solution for Euler–Lagrange equation. Lagrangian consists of kinetic part (an anisotropic G-function), potential part and a forcing term. We consider two situations: G satisfying at infinity and globally. We give conditions on the growth of the potential near zero for both situations.
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Multiresolution analysis and adaptive estimation on a sphere using stereographic wavelets
PublikacjaWe construct an adaptive estimator of a density function on d dimensional unit sphere Sd (d ≥ 2), using a new type of spherical frames. The frames, or as we call them, stereografic wavelets are obtained by transforming a wavelet system, namely Daubechies, using some stereographic operators. We prove that our estimator achieves an optimal rate of convergence on some Besov type class of functions by adapting to unknown smoothness....
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublikacjaWe 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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Nanocrystalline Polymer Impregnated [Fe(pz)Pt(CN)4] Thin Films Prepared by Matrix-Assisted Pulsed Laser Evaporation
PublikacjaIn this work, the fabrication of [Fe(pz)Pt(CN)4] (pz = pyrazine) thin films by means of matrix-assisted pulsed laser evaporation (MAPLE) was investigated. As starting material, a cryogenically cooled suspension of anocrystalline [Fe(pz)Pt- (CN)4] (0.35wt.-%) in a mixture of 1,1-dichloroethane and polyethylene glycol (PEG) was used. Films of a thickness up to 150–200 nm were deposited on Si substrates by laser ablation at λ = 1064...
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New kagome prototype materials: discovery of KV3Sb5, RbV3Sb5, and CsV3Sb5
PublikacjaIn 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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New Tetragonal ReGa5(M) (M = Sn, Pb, Bi) Single Crystals Grown from Delicate Electrons Changing
PublikacjaSingle 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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Non-enzymatic flexible glucose sensing platform based on nanostructured TiO2–Au composite
PublikacjaAll over the world the number of people suffering from diabetes and related complications is drastically growing. Therefore, the need for accurate, reliable and stable sensor for monitoring of glucose in human body fluids is becoming highly desirable. In this work we show that material composed of gold layers deposited onto TiO2 nanotubes (NTs) formed onto the flexible Ti foil exhibits great response toward glucose oxidation and...
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Nonlinear Interaction of Modes in a Planar Flow of a Gas with Viscous and Thermal Attenuation
PublikacjaThe nonlinear interaction of wave and non-wave modes in a gas planar flow are considered. Attention is mainly paid to the case when one sound mode is dominant and excites the counter-propagating sound mode and the entropy mode. The modes are determined by links between perturbations of pressure, density, and fluid velocity. This definition follows from the linear conservation equations in the differential form and thermodynamic...
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NOWE MATERIAŁY ANODOWE DLA TLENKOWYCH OGNIW PALIWOWYCH (SOFCs) ZAPEWNIAJĄCE WYDAJNĄ PRACĘ W SYSTEMACH ZASILANYCH BIOGAZEM.
PublikacjaTlenkowe ogniwa paliwowe (z ang. Solid Oxide Fuel Cells, SOFCs) zasilane paliwami innymi niż czysty wodór podlegają procesom szybszego niszczenia i utraty zdolności do generowania prądu. Głównymi przyczynami takiego zachowania jest osadzanie się węgla na powierzchni anody oraz zatruwanie materiałów ceramicznych śladowymi ilościami siarki, fosforu lub chloru w paliwach węglowodorowych. W niniejszej pracy dokonano przeglądu przez...
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Numerical modeling of exciton impact in two crystalographic phases of the organo-lead halide perovskite (CH3NH3PbI3) solar cell
PublikacjaTo improve the power conversion efficiency of solar cells based on organo–lead halide perovskites, a detailed understanding of the device physics is fundamental. Here, a computational analysis of excitons impact is reported for these types of photocell. Numerical calculations based on the model, which take into account electronic charge carriers (electrons and holes), excitons and ions, have been carried out. The role of excitons...
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Offshore surface waters of Antarctica are free of microplastics, as revealed by a circum-Antarctic study
PublikacjaIn 2018, during a circum navigation of Antarctica below 62° S by the sailing boat Katharsis II, the presence of plastics was investigated with surface sampling nets at ten evenly spaced locations (every 36° of longitude). Although fibres that appeared to be plastic (particles up to 2 cm) were found in numbers ranging from 1 particle (0.002 particles per m3) to 171 particles (1.366 particles per m3) per station, a Fourier-transform...
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On the super domination number of lexicographic product graphs
PublikacjaThe neighbourhood of a vertexvof a graphGis the setN(v) of all verticesadjacent tovinG. ForD⊆V(G) we defineD=V(G)\D. A setD⊆V(G) is called a super dominating set if for every vertexu∈D, there existsv∈Dsuch thatN(v)∩D={u}. The super domination number ofGis theminimum cardinality among all super dominating sets inG. In this article weobtain closed formulas and tight bounds for the super dominating number oflexicographic product...
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Optical activity and electro-optic effect of l-arginine doped KDP single crystals
PublikacjaWe have used the modified polarimetric methods to study optical activity (OA) in the potassium dihydrogenphosphate (KDP) crystals doped with 0.7, 1.4 and 3.8 wt% L-arginine (L-arg) amino acid. Crystals were grown by the temperature reduction method. Small changes of the absolute eigen waves ellipticity and OA values in doped crystals were noted. We have experimentally determined the signs of OA in the [1 00] and [01 0] directions...
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Optical and photocatalytic properties of rare earth metal-modified ZnO quantum dots
PublikacjaA series of novel ZnO quantum dots modified with rare earth metals was successfully prepared by a simple sol-gel approach. The effects of types (Eu, Er, Tb, Yb, Ho, La) and amounts (from 0.09 to 0.45 mmol) of lanthanides on the optical properties, structural characterization and photocatalytic activity of ZnO/RE QDs were systematically investigated. The X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform...
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Oriented Gaussian beams for high-accuracy computation with accuracy control of X-ray propagation through a multi-lens system
PublikacjaA highly accurate method for calculating X-ray propagation is developed. Within this approach, the propagating wave is represented as a superposition of oriented Gaussian beams. The direction of wave propagation in each Gaussian beam agrees with the local direction of propagation of the X-ray wavefront. When calculating the propagation of X-ray waves through lenses, the thin lens approximation is applied. In this approximation,...
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Periodic expansion in determining minimal sets of Lefschetz periods for Morse–Smale diffeomorphisms
PublikacjaWe apply the representation of Lefschetz numbers of iterates in the form of periodic expansion to determine the minimal sets of Lefschetz periods of Morse–Smale diffeomorphisms. Applying this approach we present an algorithmic method of finding the family of minimal sets of Lefschetz periods for Ng, a non-orientable compact surfaces without boundary of genus g. We also partially confirm the conjecture of Llibre and Sirvent (J Diff...
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Periodic Points for Sphere Maps Preserving MonopoleFoliations
PublikacjaLet S^2 be a two-dimensional sphere. We consider two types of its foliations with one singularity and maps f:S^2→S^2 preserving these foliations, more and less regular. We prove that in both cases f has at least |deg(f)| fixed points, where deg(f) is a topological degree of f. In particular, the lower growth rate of the number of fixed points of the iterations of f is at least log|deg(f)|. This confirms the Shub’s conjecture in...
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Photocatalytic activity of solvothermal prepared BiOClBr with imidazolium ionic liquids as a halogen sources in cytostatic drugs removal
PublikacjaIn this work, the BiOClBr, as a new family of bismuth based semiconductors, was successfully applied to remove of cytostatic drugs from water under UV-Vis light irradiation. BiOCl, BiOBr and BiOClBr were synthesized using two steps solvothermal method in glycerol. The inorganic salts (KCl and KBr) and 1-butyl-3-metylimidazolium chloride (BmimCl) and 1-butyl-3-metylimidazolium bromide (BmimBr) ionic liquids (ILs) were used as the...
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Photovoltaic effect in the single-junction DBP/PTCBI organic system under low intensity of monochromatic light
PublikacjaPhotoelectric 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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Physico‐Mechanical Properties and Flammability of PUR/PIR Foams Containing Expandable Graphite Core‐Shell Composite Particles
PublikacjaIn this work, polyurethane/polyisocyanurate (PUR/PIR) foams were modified by two types of expandable graphite (EG) core-shell composite particles. The pulverized EG core-shell composite particles were prepared during emulsion polymerization using methyl methacrylate or glycidyl methacrylate for the synthesis of the polymeric shells (poly(methyl methacrylate) (PMMA) and poly (glycidyl methacrylate) (PGMA)), and then the obtained EG_PMMA...
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Precipitation of Spherical Vaterite Particles via Carbonation Route in the Bubble Column and the Gas-Lift Reactor
PublikacjaSpherical vaterite particles were produced by carbonation of calcium chloride solution with addition of ammonia to facilitate CO2 absorption. Synthesis of calcium carbonate was carried out in a bubble column or gas-lift reactor. The course of the reaction was monitored by pH measurements. Precipitated solids were analyzed by Fourier-transformed infrared spectroscopy, x-ray powder diffraction and scanning electron microscopy, and...
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Predicting Performance of Lightweight Concrete with Granulated Expanded Glass and Ash Aggregate by Means of Using Artificial Neural Networks
PublikacjaLightweight concrete (LWC) is a group of cement composites of the defined physical, mechanical, and chemical performance. The methods of designing the composition of LWC with the assumed density and compressive strength are used most commonly. The purpose of using LWC is the reduction of the structure’s weight, as well as the reduction of thermal conductivity index. The highest possible strength, durability and low thermal conductivity...
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Pressure effects on the electronic structure and superconductivity of (TaNb)0.67(HfZrTi)0.33 high entropy alloy
PublikacjaEffects of pressure on the electronic structure, electron-phonon interaction, and superconductivity of the high entropy alloy ( TaNb ) 0.67 ( HfZrTi ) 0.33 are studied in the pressure range 0–100 GPa. The electronic structure is calculated using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Effects of pressure on the lattice dynamics are simulated using the Debye-Grüneisen model and the Grüneisen...
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Propagation of initially sawtooth periodic and impulsive signals in a quasi-isentropic magnetic gas
PublikacjaThe characteristics of propagation of sawtooth periodic and impulsive signals at a transducer are analytically studied in this work. A plasma under consideration is motionless and uniform at equilibrium, and its perturbations are described by a system of ideal magnetohydrodynamic equations. Some generic heating/cooling function, which in turn depends on equilibrium thermodynamic parameters, may destroy adiabaticity of a flow and...
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Properties of Nanohydroxyapatite Coatings Doped with Nanocopper, Obtained by Electrophoretic Deposition on Ti13Zr13Nb Alloy
PublikacjaNowadays, hydroxyapatite coatings are the most common surface modification of long-term implants. These coatings are characterized by high thickness and poor adhesion to the metallic substrate. The present research is aimed at characterizing the properties of nanohydroxyapatite (nanoHAp) with the addition of copper nanoparticle (nanoCu) coatings deposited on the Ti13Zr13Nb alloy by an electrophoresis process. The deposition of...
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Pt-rich intermetallic APt8P2 (A = Ca and La)
PublikacjaThe combination of experimental and theoretical investigation of two new Pt-rich intermetallic compounds: APt8P2 (A = Ca and La) is presented, including solid-state synthesis, crystal structure determination, physical properties characterization and chemical bonding analysis. APt8P2 was obtained through the high-temperature pellet synthesis. According to both single crystal and powder X-ray diffraction results, APt8P2 crystallize...
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Pupil detection supported by Haar feature based cascade classifier for two-photon vision examinations
PublikacjaThe aim of this paper is to present a novel method, called Adaptive Edge Detection (AED), of extraction of precise pupil edge coordinates from eye image characterized by reflections of external illuminators and laser beams. The method is used for monitoring of pupil size and position during psychophysical tests of two-photon vision performed by dedicated optical set-up. Two-photon vision is a new phenomenon of perception of short-pulsed...
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Reduction of the Velocity Impact on the Magnetic Flux Leakage Signal
PublikacjaThe velocity effect on the magnetic flux leakage (MFL) signal was investigated in this paper. Experiments were performed for velocity of the MFL tool within the range of 0–2 m/s. The velocity was not constant during each measurement to imitate real operational conditions of the MFL tool. Two components of the leakage were measured, i.e. the tangential to the motion direction (x) and the normal to the investigated surface (z). In...
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Reexamination of the decoherence of spin registers
PublikacjaWe revisit the decoherence process of a multiqubit register interacting with a thermal bosonic bath. We generalize the previous studies by considering not only the register’s behavior but also a part of its environment. In particular, we are interested in information flow from the register to the environment, which we describe using recently introduced multipartite quantum state structures called spectrum broadcast structures....
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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublikacjaA 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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Result of the 6-min walk test is an independent prognostic factor of surgically treated non-small-cell lung cancer
PublikacjaPathological tumour, node and metastasis (TNM) stage remains the most significant prognostic factor of non-small-cell lung cancer (NSCLC). Meanwhile, age, gender, pulmonary function tests, the extent of surgical resection and the presence of concomitant diseases are commonly used to complete the prognostic profile of the patient with early stage of NSCLC. The aim of this study is to assess how the result of a 6-min walk test (6MWT)...
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Shape-controllable synthesis of GdVO4 photocatalysts and their tunable properties in photocatalytic hydrogen generation
PublikacjaNovel visible light responsive materials for water splitting are essential for the efficient conversion of solar energy into hydrogen bond energy. Among other semiconductors, gadolinium orthovanadate has appropriate conduction and valence band edges positioned to split water molecules and a narrow band gap that allows the use of visible light for hydrogen generation. Thus, we present here that hydrogen evolution under visible light...
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Solvent-Free Synthesis of Phosphonic Graphene Derivative and Its Application in Mercury Ions Adsorption
PublikacjaFunctionalized graphene was efficiently prepared through ball-milling of graphite in the presence of dry ice. In this way, oxygen functional groups were introduced into material. The material was further chemically functionalized to produce graphene derivative with phosphonic groups. The obtained materials were characterized by spectroscopic and microscopic methods, along with thermogravimetric analysis. The newly developed material...
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Stabilization of the pyrochlore phase of Mn2Sb2O7 by double substitution
PublikacjaPolycrystalline samples of (Ce4+Mn2+3)(Ga3+Sb5+3)O14 were synthesized by a high-temperature solid-state reaction. In contrast with the parent Mn2Sb2O7 compound that adopts a rhombohedral or monoclinic structure at T > 600 °C, the pyrochlore structure of CeMn3GaSb3O14 is retained up to at least T = 1070°C. High-resolution synchrotron x-ray diffraction measurements show no sign of a superstructure or distortion from cubic symmetry...
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Statistical properties of a modified standard map in quantum and classical regimes
PublikacjaWe present a model—a modified standard map. This model has interesting properties that allow quantum–classical correspondences to be studied. For some range of parameters in the classical phase space of this model, there exist large accelerator modes. We can create a family of maps that have large accelerator modes.
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Storing Matter’technique in SIMS depth profile analysis
PublikacjaSecondary ion mass spectrometry (SIMS) is a very useful technique for the analysis of layered systems. It is based on the primary ion beam sputtering of solids and mass analysis of the emitted secondary ions. A main limitation of this technique results from the direct quantitative analysis, since the ionization efficiency of a given atom is highly influenced by the neighbouring atoms at the surface. This phenomenon is known as...
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Structural investigations of niobium-doped bioactive calcium-phosphate glass-ceramics by means of spectroscopic studies
PublikacjaSynthetic calcium-phosphate based glasses and glass-ceramics play a crucial role in the development of tissue engineering. These materials have a high biocompatibility with biological analogues, excellent ability to undergo varying degrees of resorbability and due to their non-toxicity and relatively high bioactivity they are commonly used as bone and dental implants. A substantial research effort is devoted to improve synthetic...
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Structure and optical parameters of Eu doped tellurium oxide thin films prepared by reactive magnetron sputtering method
PublikacjaIn this work the structural properties and photoluminescence of tellurium dioxide thin films doped by europium were described. Thin films were deposited by magnetron sputtering method and simultaneously heated at 200 °C. Presence of Eu ions and their valence states was confirmed by X-ray photoemission spectroscopy measurements. The structure of the films as well as the influence of europium dopant on crystalline structure of the...
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Structure, luminescent properties and FDTD simulation of TeO2-BaO-Bi2O3-Ag:Ln3+ glass-ceramics system
PublikacjaTeO2-BaO-Bi2O3-Ag glass systems (TBB) co-doped with terbium and europium ions have been successfully synthesized through conventional melt-quenching technique. Heat treatment procedure at 350 °C has been conducted in order to synthesize silver nanoparticles embedded in TBB glass matrix. Structural measurements involved XRD studies that revealed no crystallization of glass structure after heat treatment at elevated temperatures....
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Subharmonic solutions for a class of Lagrangian systems
PublikacjaWe prove that second order Hamiltonian systems with a potential of class C1, periodic in time and superquadratic at infinity with respect to the space variable have subharmonic solutions. Our intention is to generalise a result on subharmonics for Hamiltonian systems with a potential satisfying the global Ambrosetti-Rabinowitz condition from [P. H. Rabinowitz, Proc. Roy. Soc. Edinburgh Sect. A, 114 (1990), 33-38]. Indeed, we weaken...
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Superconductivity in the intermetallic compound Zr5Al4
PublikacjaPolycrystalline Zr5Al4 was synthesized using the arc-melting method. Powder X-ray diffraction confirms the previously reported crystal structure of the Ti5Ga4-type P63/mcm with lattice parameters: a = 8.4312(6) A , and c = 5.7752(8) A . Electrical resistivity and low-temperature magnetic susceptibility measurements indicate that Zr5Al4 exhibits superconducting behavior below 2 K. The normalized heat capacity jump at Tc= 1.82 K...
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Swapping Space for Time: An Alternative to Time-Domain Interferometry
PublikacjaYoung's double-slit experiment [1] requires two waves produced simultaneously at two different points in space. In quantum mechanics the waves correspond to a single quantum object, even as complex as a big molecule. An interference is present as long as one cannot tell for sure which slit is chosen by the object. The more we know about the path, the worse the interference. In the paper we show that quantum mechanics allows for...
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Synthesis and physical properties of the 10.6 K ferromagnet NdIr3
PublikacjaThe magnetic, transport, and thermodynamic properties of NdIr3 are reported. Its PuNi3-type crystal structure (space group R−3m), with lattice parameters a= 5.3262(1)Å and c=26.2218(3)Å, was confirmed by powder x-ray diffraction. Our measurements indicate that NdIr3 exhibits a previously unreported paramagnetic to ferromagnetic phase transition below TC=10.6 K(determined by using the Arrott plot). The magnetic susceptibility obeys...
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SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF NIOBIUM-DOPED HYDROXYAPATITE CERAMICS
PublikacjaHydroxyapatite (HAp) ceramic materials are considered as one of the most promising implant materials in bone surgery and in dentistry. They exhibit unique biocompatibility, bioactivity, and osteoconductivity, which are the most desirable biomaterial features. However, HAp itself is brittle, has low strength, high degree of crystallinity and low solubility at physiological pH. Doping synthetic HAp with metal ions plays an important...
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Synthesis, microstructure and electrical properties of nanocrystalline calcium doped lanthanum orthoniobate
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Synthesis, microstructure and electrical properties of nanocrystalline calcium doped lanthanum orthoniobate
PublikacjaThe single phase lanthanum orthoniobate with tetragonal structure has been synthesized by the means of mechanosynthesis method. The studies have shown the crystal structure of La0.98Ca0.02NbO4 depends on the synthesis stage. The samples were predominantly in the tetragonal phase with a trace amount of the monoclinic phase. The SEM studies of morphology and microstructure have shown nanocrystallinity of the materials. The Raman...
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Systems, Environments, and Soliton Rate Equations: Toward Realistic Modeling
PublikacjaIn order to solve a system of nonlinear rate equations one can try to use some soliton methods. The procedure involves three steps: (1) find a ‘Lax representation’ where all the kinetic variables are combined into a single matrix ρ, all the kinetic constants are encoded in a matrix H; (2) find a Darboux–Bäcklund dressing transformation for the Lax representation iρ˙=[H,f(ρ)], where f models a time-dependent environment; (3) find...
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Tailoring Electro/Optical Properties of Transparent Boron-Doped Carbon Nanowalls Grown on Quartz
PublikacjaCarbon nanowalls (CNWs) have attracted much attention for numerous applications in electrical devices because of their peculiar structural characteristics. However, it is possible to set synthesis parameters to vary the electrical and optical properties of such CNWs. In this paper, we demonstrate the direct growth of highly transparent boron-doped nanowalls (B-CNWs) on optical grade fused quartz. The effect of growth temperature...