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Wydział Fizyki Technicznej i Matematyki Stosowanej
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Katalog Publikacji
Rok 2022
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublikacjaThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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Praseodymium Orthoniobate and Praseodymium Substituted Lanthanum Orthoniobate: Electrical and Structural Properties
PublikacjaIn this paper, the structural properties and the electrical conductivity of La1−xPrxNbO4+δ (x = 0.00, 0.05, 0.1, 0.15, 0.2, 0.3) and PrNbO4+δ are presented and discussed. All synthesized samples crystallized in a monoclinic structure with similar thermal expansion coefficients. The phase transition temperature between the monoclinic and tetragonal structure increases with increasing praseodymium content from 500 ◦C for undoped...
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Precipitation of calcium carbonate in the presence of rhamnolipids in alginate hydrogels as a model of biomineralization
PublikacjaThis paper reports the effects of rhamnolipids presence in the alginate hydrogel and CO32- solution, on the precipitation of CaCO3 in the Ca2+ loaded alginate hydrogel. Characteristics of the formed particles are discussed. Model conditions containing alginate hydrogel and rhamnolipids were used in order to mimic the natural environment of biomineralization in biofilms. It has been shown that rhamnolipids affect the characteristics...
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Precypitacja węglanu wapnia metodą karbonatyzacji z dodatkiem glicerolu w obecności wybranych promotorów absorpcji CO2
PublikacjaJednym ze sposobów produkcji węglanu wapnia jest metoda gaz-ciecz, w której jako reagent stosuje się gazowy CO2 oraz roztwór soli wapnia, do którego dodawane są związki sprzyjające absorpcji CO2, tzw. promotory. Reakcja z gazowym CO2 jest specyficzna, ponieważ powstawanie jonów wodorowęglanowych podczas absorpcji CO2 z reakcją chemiczną jest etapem decydującym o szybkości procesu strącania CaCO3. Celem niniejszej pracy było określenie...
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Preparation of methanation catalysts for high temperature SOEC by β-cyclodextrin-assisted impregnation of nano-CeO2 with transition metal oxides
PublikacjaThe aim of this work was to prepare and examine the catalytic activity of nanometric CeO2 decorated with transition metal oxides – Ni, Co, Cu, Fe and Mn – towards a high-temperature methanation process under SOEC CO2/H2O simulated co-electrolysis conditions. Samples were prepared using the wet impregnation method via the conventional process and with the addition of native cyclodextrin. The influence of β-cyclodextrin (βCD) onto...
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Properties of New Composite Materials Based on Hydroxyapatite Ceramic and Cross-Linked Gelatin for Biomedical Applications
PublikacjaThe main aim of the research was to develop a new biocompatible and injectable composite with the potential for application as a bone-to-implant bonding material or as a bone substitute. A composite based on hydroxyapatite, gelatin, and two various types of commercially available transglutaminase (TgBDF/TgSNF), as a cross-linking agent, was proposed. To evaluate the impacts of composite content and processing parameters on various...
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Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublikacjaThis work presents extensive theoretical studies focused on the mixed ion-electron transport in cubic strontium titanate (STO). A new approach to the description of this difficult system was developed within the framework of linear-scaling Kohn–Sham density functional theory, as realized in the ONETEP program. The description we present is free of any empirical parameters and relies on the Hubbard U and Hund’s J corrections applied...
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Protocolo de Preparación y Evaluación de Pilas de Combustible de Óxido Sólido
PublikacjaEste protocolo describe la metodología para la preparación de celdas de óxido sólido y su evaluación como pila de combustible (SOFC). Es fruto del estudio realizado en el marco de los proyectos FCTESTNET [1] y SOFCNET [2] del V Programa Marco, en el Comité IEC/TC105 [3] e investigaciones llevadas a cabo en el laboratorio. Las pilas de combustible son dispositivos capaces de transformar la energía química de un combustible en energía...
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Proton-Electron Hole Interactions in Sr(Ti,Fe)O3−δ Mixed-Conducting Perovskites
PublikacjaOxides in which total electrical conductivity is determined by the partial conductivities of three types of charge carriers i.e. holes/ electrons, oxygen ions, and protons are key components of well-functioning proton ceramic fuel cells. Apart from electrochemical properties also easily modified microstructure is an important feature of the electrodes. In the paper, a group of SrTi1−xFexO3−δ (STF, x = 0.2–0.8) perovskites prepared...
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Pyrolysis of RDF and Catalytic Decomposition of the Produced Tar in a Char Bed Secondary Reactor as an Efficient Source of Syngas
PublikacjaOne of the technical limitations of refuse-derived fuel (RDF) pyrolysis is the high content of tar in its gas products. In order to resolve this problem, a two-stage RDF pyrolysis with a catalyst based on char from RDF pyrolysis is proposed. This paper presents the results of municipal waste pyrolysis beginning in an oven heated to 480 °C and ending with catalytic tar cracking carried out in the temperature range from 800 to 1000...
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Quality assessment of low voltage surge arresters
PublikacjaUsers expect reliable operation of the surge arrester during overvoltages, which may originate from a switching process or a lightning discharge. The necessary conditions to guarantee these expectations are: appropriate construction of the surge arrester, its production being maintained in accordance with technical standards, and a positive results of the type test (as well routine and acceptance tests). The recipient, especially...
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Quantification of Compatibility Between Polymeric Excipients and Atenolol Using Principal Component Analysis and Hierarchical Cluster Analysis
PublikacjaAn important challenge to overcome in the solid dosage forms technology is the selection of the most biopharmaceutically efficient polymeric excipients. The excipients can be selected, among others, by compatibility studies since incompatibilities between ingredients of the drug formulations adversely affect their bioavailability, stability, efficacy, and safety. Therefore, new, fast, and reliable methods for detecting incompatibility...
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Relations between magnetosonic perturbations as an indicator of a magnetosonic exciter and equilibrium parameters of a plasma
PublikacjaThe 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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Straightened characteristics of McKendrick-von Foerster equation
PublikacjaWe study the McKendrick-von Foerster equation with renewal (that is the age-structured model, with total population dependent coefficient and nonlinearity). By using a change of variables, the model is then transformed to a standard age-structured model in which the total population dependent coefficient of the transport term reduces to a constant 1. We use this transformation to get existence, uniqueness of solutions of the problem...
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Structural and electrochemical heterogeneities of boron-doped diamond surfaces
PublikacjaThis brief review is focussed on the recent progress in studies of the heterogeneous electrochemical behaviour of various boron-doped materials extending from zero-dimensional particles through polycrystalline or nanostructured three-dimensional surfaces. A boron-doped diamond reveals large heterogeneities induced by numerous factors, inter alia multi-faceted crystallinity, inhomogeneous boron concentration, sp2/sp3-carbon ratio,...
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Structural properties of mixed conductor Ba1−xGd1−yLax+yCo2O6−δ
PublikacjaBa1−xGd1−yLax+yCo2O6−δ (BGLC) compositions with large compositional ranges of Ba, Gd, and La have been characterised with respect to phase compositions, structure, and thermal and chemical expansion. The results show a system with large compositional flexibility, enabling tuning of functional properties and thermal and chemical expansion. We show anisotropic chemical expansion and detailed refinements of emerging phases as La is...
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Susceptibility to Degradation in Soil of Branched Polyesterurethane Blends with Polylactide and Starch
PublikacjaA very important method of reducing the amount of polymer waste in the environment is the introduction to the market of polymers susceptible to degradation under the influence of environmental factors. This paper presents the results of testing the susceptibility to degradation in soil of branched polyesterurethane (PUR) based on poly([R,S]-3-hydroxybutyrate) (R,S-PHB), modified with poly([D,L]-lactide) (PLA) and starch (St). Weight...
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Szybkie wykrywanie wirusa grypy we wczesnej fazie rozwoju za pomocą sensorów nanodiamentowych domieszkowanych borem
PublikacjaPrzedstawiono konstrukcję i wyniki wstępnych badań szybkiego elektrochemicznego sensora wykonanego na bazie cienkich warstw nanokrystalicznego diamentu domieszkowanego borem, który umożliwia wykrywanie śladowych ilości wirusa grypy we wczesnej fazie rozwoju. Zapewnia to identyfikację ognisk pandemii.
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Temperature-controlled nanomosaics of AuCu bimetallic structure towards smart light management
PublikacjaGold–copper nanostructures are promising in solar-driven processes because of their optical, photocatalytic and photoelectrochemical properties, especially those which result from the synergy between the two metals. Increasing interest in their internal structure, such as the composition or distribution of the Au and Cu as well as the size and shape of the nanoparticles, have developed to define their physicochemical properties. In...
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Tetrahedrally modified MnMe0.1Co1.9O4 (Me = Zn, Mg, Li) spinels for non-enzymatic glucose sensing
PublikacjaIn this work, tetrahedrally modified MnMe0.1Co1.9O4 (Me = Zn, Mg, Li) spinels were prepared via the sol–gel synthesis method with subsequent ball-milling fragmentation. The prepared samples were evaluated as glucose–sensing catalyst. The reference MnCo2O4 spinel exhibited a sensitivity of 49 µA mM−1 cm−2 and a nonlinearity error of 5.2% in the response range from 0.02 to 1 mM. The partial substitution of cobalt in the reference...
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The basis set, scattering wavefunction and Schwinger variational principle: an application for low energy positron-atom scattering
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The electrical, morphological and optical properties of heavily boron-doped diamond sheets as a function of methane concentration in the gas phase
PublikacjaBoron-doped diamonds (BDD) are known for their excellent properties such as high thermal conductivity, high mobility, low absorption in visible light, and biocompatibility. In this work, we investigated the electrical, morphological and optical properties of heavily boron-doped diamond thin sheets as a function of methane concentration in the gas phase. Free-standing diamond sheets were fabricated using a microwave plasma-assisted...
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The Influence of Thin Gold Electrodes on the High-Temperature Impedance of Oxide Glasses
PublikacjaThe influence of thin gold electrodes on the electrical measurements of glasses at high temperatures was studied using impedance spectroscopy. The impedance was measured several times over a wide frequency range from 10 mHz to 1 MHz and the temperature ranged from 213 to 673 K under air and nitrogen atmospheres. The results showed a drop in the conductivity of more than an order of magnitude at a temperature around 603 K during...
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The role of electrolysis and enzymatic hydrolysis treatment in the enhancement of the electrochemical properties of 3D-printed carbon black/poly(lactic acid) structures
PublikacjaAdditive manufacturing, also known as 3D printing, is beginning to play an unprecedented role in developing many applications for industrial or personalized products. The conductive composite structures require additional treatment to achieve an electroactive surface useful for electrochemical devices. In this paper, the surfaces of carbon black/poly(lactic acid) CB-PLA printouts were activated by electrolysis or enzymatic digestion...
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The valance state of vanadium-key factor in the flexibility of potassium vanadates structure as cathode materials in Li-ion batteries
PublikacjaPotassium hexavanadate (K2V6O16·nH2O) nanobelts have been synthesized by the LPE-IonEx method, which is dedicated to synthesis of transition metal oxide bronzes with controlled morphology and structure. The electrochemical performance of K2V6O16·nH2O as a cathode material for lithium-ion batteries has been evaluated. The KVO nanobelts demonstrated a high discharge capacity of 260 mAh g−1, and long-term cyclic stability up to 100...
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Thermal dewetting as a method of surface modification of the gold thin films for surface plasmon resonance based sensor applications
PublikacjaHere, we report a quick and simple approach with low, optimized production costs to obtain surface plasmon resonance (SPR) based sensors fabricated through a time- and resource-effective method based on thermal dewetting of thin Au films. From the applicative point of view, the method of detection presented here should be easier to implement, since light transmission measurements seem to be much less challenging than light refractive...
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Time reversal invariant single-gap superconductivity with upper critical field larger than the Pauli limit in NbIr2B2
PublikacjaRecently, compounds with noncentrosymmetric crystal structure have attracted much attention for providing a rich playground in search for unconventional superconductivity. NbIr2B2 is a new member to this class of materials harboring superconductivity below Tc = 7.3(2) K and a very high upper critical field that exceeds Pauli limit. Here we report on muon spin rotation (μSR) experiments probing the temperature and field dependence...
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Ti/TiO2 nanotubes sensitized PbS quantum dots as photoelectrodes applied for decomposition of anticancer drugs under simulated solar energy
PublikacjaOne of the challenges in research into photoelectrocatalytic (PEC) degradation of pollutants is finding the appropriate photoanode material, which has a significant impact on the process efficiency. Among all others, photoelectrodes based on an ordered TiO2 nanotube arrays are a promising material due to well-developed surface area and efficient charge separation. To increase the PEC activity of this material, the SILAR method was...
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t-SNE Highlights Phylogenetic and Temporal Patterns of SARS-CoV-2 Spike and Nucleocapsid Protein Evolution
PublikacjaWe propose applying t-distributed stochastic neighbor embedding to protein sequences of SARS-CoV-2 to construct, visualize and study the evolutionary space of the coronavirus. The basic idea is to explore the COVID-19 evolution space by using modern manifold learning techniques applied to evolutionary distances between variants. Evolutionary distances have been calculated based on the structures of the nucleocapsid and spike proteins.
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Universal construction of genuinely entangled subspaces of any size
PublikacjaWe put forward a simple construction of genuinely entangled subspaces – subspaces supporting only genuinely multipartite entangled states – of any permissible dimensionality for any number of parties and local dimensions. The method uses nonorthogonal product bases, which are built from totally nonsingular matrices with a certain structure. We give an explicit basis for the constructed subspaces. An immediate consequence of our...
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Variations in host surfaces morphology and biology of ciliate epibionts explaining distribution pattern of epibionts in the invasive signal crayfish Pacifastacus leniusculus (Dana, 1852)
Publikacjaciliates on the signal crayfish Pacifastacus leniusculus in relation to specialized structures of the host’s exoskeleton for the first time. This species is known to maintain a relatively clean carapace, but it is sometimes overgrown by other organisms. Epibionts cover different parts of the signal crayfish body, mainly antennae, antennules, maxillipedes III and pereiopods with inner edges of chelae; however, some parts of the...
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Weak antilocalization effect and triply degenerate state in Cu-doped CaAuAs
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What is in a name: Defining “high entropy” oxides
PublikacjaABSTRACT High entropy oxides are emerging as an exciting new avenue to design highly tailored functional behaviors that have no traditional counterparts. Study and application of these materials are bringing together scientists and engineers from physics, chemistry, and materials science. The diversity of each of these disciplines comes with perspectives and jargon that may be confusing to those outside of the individual fields,...
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Zero-range potentials for Dirac particles: Bound-state problems
PublikacjaA model in which a massive Dirac particle in $\mathbb{R}^{3}$ is bound by $N\geqslant1$ spatially distributed zero-range potentials is presented. Interactions between the particle and the potentials are modeled by subjecting a particle's bispinor wave function to certain limiting conditions at the potential centers. Each of these conditions is parametrized by a $2\times2$ Hermitian matrix (or, equivalently, a real scalar and a...
Rok 2021
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A competition between two- and three-body dissociation channels in photo-double-ionization of tetrahydro-2H-pyran and 3,4-dihydro-2H-pyran molecules
PublikacjaVarious molecules possess structures consisting of the heterocyclic rings containing oxygen atoms. These substances often play a significant role in many different fields of chemistry, medicine, and biology. Due to a specific atomic composition and bond arrangement, many of these molecules retain unique electronic properties, which may be probed by diverse spectroscopic techniques, including those utilizing synchrotron radiation....
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A general approach to study molecular fragmentation and energy redistribution after an ionizing event
PublikacjaWe propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectron–photoion coincidence experiments and...
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A pedagogical introduction to the Schwinger variational principle: an application to low energy positron-atom scattering
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Additive Effect of Bromides and Chlorides on the Performance of Perovskite Solar Cells Fabricated via Sequential Deposition
PublikacjaA two-step sequential deposition method has been applied to prepare the solar cells with two types of perovskites Cs0.15FA0.85Pb(I0.95Cl0.05)3 and Cs0.15FA0.85Pb(I0.95Br0.05)3. In order to obtain the perovskite layers, the different sources of bromine and chlorine atoms were used for synthesis. The performance and time stability of chloride-based photocells are worse in comparison to the bromide-based devices. It can be explained...
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APPLICATION OF ENTROPY-BASED METHODS TO DISTINGUISH HEALTHY INDIVIDUALS WITH NORMAL SINUS RHYTHM FROM PATIENTS WITH CONGESTIVE HEART FAILURE
PublikacjaIn this paper, we examined whether entropy-based methods are able to differentiate healthy individuals from patients with congestive heart failure. To this aim, we applied two methods: Permutation Entropy and Block Entropy. Long-term ECG recordings (75 000 RR intervals) were analyzed. The results proved that both methods can distinguish those groups on condition that the parameters are appropriately chosen.
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Aqueous Molybdate Provides Effective Corrosion Inhibition of WE43 Magnesium Alloy in Sodium Chloride Solutions
PublikacjaCorrosion and corrosion inhibition of WE43 magnesium alloy were investigated in NaCl solutions containing different amounts of sodium molybdate. Electrochemical, microscopic, and spectroscopic experiments were utilized to examine the mechanism of corrosion inhibition by molybdates. Electrochemical data showed that Na2MoO4 inhibitor provides reliable inhibition at concentrations at and above 100 mM. Raman and XPS spectroscopy demonstrated...
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Arithmetic Loophole in Bell's Theorem: Overlooked Threat to Entangled-State Quantum Cryptography
PublikacjaBell’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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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publikacjaabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
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Bias-Dependent Dynamics of Degradation and Recovery in Perovskite Solar Cells
PublikacjaDegradation of perovskite solar cells (PSCs) is often found to be partially or fully reversible when the cells are allowed to recover in the dark. Unlike the dynamics of degradation, knowledge about the dynamics of PSC cell recovery is very limited. Here, we demonstrate that the PSC recovery strongly depends on the electrical bias conditions during the light-induced degradation and that it can be manipulated by applying an external...
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Bifurcation of equilibrium forms of a gas column rotating with constant speed around its axis of symmetry
PublikacjaWe will be concerned with the problem of deformation of the lateral surface of a column that rotates with constant speed around its axis of symmetry. The column is filled by a gas and our goal is to investigate the deformation of the lateral surface depending on the pressure of the gas.
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Binary-Encounter Model for Direct Ionization of Molecules by Positron-Impact
PublikacjaWe introduce two models for the computation of direct ionization cross sections by positron impact over a wide range of collision energies. The models are based on the binary-encounter-Bethe model and take into account an extension of the Wannier theory. The cross sections computed with these models show good agreement with experimental data. The extensions improve the agreement between theory and experiment for collision energies...
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Bistability in a One-Dimensional Model of a Two-Predators-One-Prey Population Dynamics System
PublikacjaIn this paper, we study a classical two-predators-one-prey model. The classical model described by a system of three ordinary differential equations can be reduced to a one-dimensional bimodalmap. We prove that this map has at most two stable periodic orbits. Besides, we describe the bifurcation structure of the map. Finally, we describe a mechanism that leads to bistable regimes. Taking this mechanism into account, one can easily...
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Changes on the Surface of the SiO2/C Composite, Leading to the Formation of Conductive Carbon Structures with Complex Nature of DC Conductivity
PublikacjaSol–gel layers have been the subject of many studies in recent decades. However, very little information exists about layers in which carbon structures are developed in situ. Using the spin-coating method, we obtained thin iron-doped SiO2/C composite films. The results of Raman spectroscopy showed that our samples consisted of graphitic forms and polymers. The latter’s contribution decreases with rising temperature. FTIR and EDS...
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Classification of submandibular salivary stones based on ultrastructural studies
PublikacjaIntroduction: Sialolithiasis remains a clinical problem with unclear etiopathogenesis, lack of prevention methods, and only surgical treatment. Materials and methods: An ultrastructure examination of submandibular sialoliths obtained from patients with chronic sialolithiasis was conducted using a scanning electron microscope and X‐ray photoelectron spectroscopy. Results: Based on the results, we divided sialoliths into three types:...
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Common Independence in Graphs
PublikacjaAbstract: The cardinality of a largest independent set of G, denoted by α(G), is called the independence number of G. The independent domination number i(G) of a graph G is the cardinality of a smallest independent dominating set of G. We introduce the concept of the common independence number of a graph G, denoted by αc(G), as the greatest integer r such that every vertex of G belongs to some independent subset X of VG with |X|...
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Connected components of the space of proper gradient vector fields
PublikacjaWe show that there exist two proper gradient vector fields on Rn which are homotopic in the category of proper maps but not homotopic in the category of proper gradient maps.