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Zero-Pole Electromagnetic Optimization
PublicationA fast technique for the full-wave optimization of transmission or reflection properties of general linear timeinvariant high-frequency components is proposed. The method is based on the zeros and poles of the rational function representing the scattering parameters of the device being designed and it is the generalization of the technique developed for the design by optimization of microwave filters. The performance of the proposed...
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Analysis and characterization of coordination compounds by resonance Raman spectroscopy
PublicationResonance Raman spectroscopy has become a powerful tool to study excited-state geometries, excited-state charge distributions and photoinduced reaction dynamics in coordination compounds. Due to their rich photophysical properties coordination compounds are utilized for a variety of applications ranging from DNA sensing to photocatalysis. This review features recent applications of various resonance Raman scattering techniques...
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under various compositions syngas methanation with 20vol.% water vapour introduced
Open Research DataThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of various syngas mixtures (different CO/H2 ratio) were supplied with this dataset
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Transiluminacyjne monitorowanie stanu przestrzeni podpajęczynówkowej
PublicationTransiluminacja tkanek ludzkiego ciała w celach diagnostycznych jest stosowana od ponad stu lat. Metoda transiluminacji w bliskiej podczerwieni z rozpraszaniem zwrotnym (NIRT-BSS) umożliwia ciągłe, bezinwazyjne monitorowanie zmian szerokości przestrzeni podpajęczynówkowej, które może być cennym narzędziem w ocenie zagrożenia obrzękiem mózgu. W rozprawie przedstawiono optyczny model rozchodzenia się promieniowania podczerwonego...
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Information content of systems as a physical principle
PublicationTo explain the conceptual gap between classical and quantum and other, hypothetical descriptions of the world, several principles have been proposed. So far, all these principles have not explicitly included the uncertainty relation. Here we introduce an information content principle ( ICP ) which represents a constrained uncertainty principle. The principle, by taking into account the encoding and decoding properties of a single physical...
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Duhem and Natanson: Two Mathematical Approaches to Thermodynamics
PublicationIn this article, the previously unrecognized contributions of Pierre Duhem and Ladislavus Natanson in thermodynamics are shown. The mathematical remodelling of a few of their principal ideas is taken into consideration, despite being neglected in the literature. To emphasize these ideas in an appropriate epistemological order, it would be crucial to first revalue and reconstruct some underrepresented parts of the proceedings process...
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Surface active fatty acid ILs: Influence of the hydrophobic tail and/or theimidazolium hydroxyl functionalization on aggregates formation
PublicationNine structurally-related fatty acid ionic liquids have been prepared and their thermal behavior as well as their ability to self-assemble in water has been investigated. The thermal properties were studied by thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC), while the aggregation behavior was analyzed by tensiometry, isothermal titration calorimetry (ITC), conductometry, dynamic light scattering (DLS),...
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Coherent-wave Monte Carlo method for simulating light propagation in tissue
PublicationSimulating propagation and scattering of coherent light in turbid media, such as biological tissues, is a complex problem. Numerical methods for solving Helmholtz or wave equation (e.g. finite-difference or finite-element methods) require large amount of computer memory and long computation time. This makes them impractical for simulating laser beam propagation into deep layers of tissue. Other group of methods, based on radiative...
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Analytical progress on symmetric geometric discord: Measurement-based upper bounds
PublicationQuantum correlations may be measured by means of the distance of the state to the subclass ofstates having well defined classical properties. In particular, a geometric measure of asymmetricdiscord [Daki´c et al., Phys. Rev. Lett. 105, 190502 (2010)] was recently defined as the Hilbert-Schmidt distance of a given two-qubit state to the closest classical-quantum (CQ) correlated state.We analyze a geometric measure of symmetric...
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Communication Model Order Reduction in Hybrid Methods Involving Generalized Impedance Matrix
PublicationA novel strategy for the efficient analysis of frequency-domain scattering electromagnetic problems in open and closed domains is presented. A fully automatic model-order reduction technique, called the enhanced reduced-basis method, is applied to increase the efficiency of the hybrid approach, which combines the finite-element and mode-matching methods. Numerical tests show that the proposed algorithm yields reliable and highly...
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Identification of Optocoupler Devices with RTS Noise
PublicationThe results of noise measurements in low frequency range for CNY 17 type optocouplers are presented. The research were carried out on devices with different values of Current Transfer Ratio (CTR). The methods for identification of Random Telegraph Signal (RTS) in noise signal of optocouplers were proposed. It was found that the Noise Scattering Pattern method (NSP method) enables to identify RTS noise as non-Gaussian component...
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Zero-Pole Space Mapping for CAD of Filters
PublicationIn this paper, we propose a new space-mapping technique tailored to the CAD of microwave filters. The goal of space mapping is to achieve a satisfactory design with the minimal number of fine model evaluations. In our approach, the filter is represented by a rational function. To quickly align the coarse and fine models, and to speed up the direct optimization of the coarse model, we propose matching the zeros and poles of a rational...
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Constructive entanglement test from triangle inequality
PublicationWe derive a simple lower bound on the geometric measure of entanglement for mixed quantum states in the case of a general multipartite system. The main ingredient of the presented derivation is the triangle inequality applied to the root infidelity distance in the space of density matrices. The obtained bound leads to entanglement criteria with a straightforward interpretation. The proposed criteria provide an experimentally accessible,...
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Comparative modeling of shear localization in granular bodies with FEM and DEM
PublicationThe intention of the paper is to compare the calculations of shear zones in granular bodies using two different approaches: a continuum and a discrete one. In the first case, the FEM based on a micro-polar hypoplastic constitutive law was used. In the second case, the DEM was taken advantage of, where contact moments were taken into account to model grain roughness. The comparative calculations were performed for a passive case...
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HYDROGEN PRODUCTION PERFORMANCE IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF NI3AL
PublicationThe main aim of the following paper is mathematical modelling for momentum, heat and mass transfer, which is accompanied by chemical surface reactions of the flow of the mixture helium and methanol. The thermocatalytic devices used for decomposition of hydrocarbons incorporate vertical microchannels coupling at the ends and heated to 500 oC at the walls. The results of the experiment were compared with CFD calculations to calibrate...
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Buckling of simplified models of silo with corrugated walls and vertical stiffeners
PublicationThe paper deals with buckling of cylindrical silos composed of corrugated sheets and vertical stiffeners (columns). Comprehensive finite element analyses were carried out for a perfect silo by means of a linear buckling approach. Corrugated walls were simulated as an equivalent orthotropic shell and vertical thin-walled columns as beam elements. Calculations for perfect silos with different numbers of columns made it possible to...
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Integrable zero-range potentials in a plane
PublicationWe examine general statements in the Wronskian representation of Darboux transformations for plane zero-range potentials. Such expressions naturally contain scattering problem solution. We also apply Abel theorem to Wronskians for differential equations and link it to chain equations for Darboux transforms to fix conditions for further development of the underlying distribution concept. Moutard transformations give a convenient...
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A study of the electronic states of pyrimidine by electron energy loss spectroscopy
PublicationThe electron energy loss spectra were measured in pyrimidine at the constant electron residual energy varied from 15 meV to 10 eV and in the scattering angle range 0–180°. The spectra were analysed applying an iteration fitting procedure to resolve the energy loss bands corresponding to excitation of the electronic states of pyrimidine. The vertical excitation energies of the singlet states of pyrimidine and of a number of the...
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The adiabatic potentials of low-lying electronic states of the NaRb molecule
PublicationAdiabatic potential energy curves and spectroscopic constants have been calculated for the NaRb molecule. The results of ten states of the symmetry Σ+, six states of the symmetry Π, and two states of the symmetry Δ are obtained by the nonrelativistic quantum chemical method used with pseudopotentials describing the interaction of valence electrons with atomic cores. Analysis is based on a comparison with the results of other theoretical...
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Nonconventional 1,8-Diazafluoren-9-One Aggregates for Green Light Enhancement in Hybrid Biocompatible Media
PublicationOrganic aggregates currently play a prominent role, mainly for their unique optoelectronic properties in the aggregated state. Such properties can be related to the aggregates’ structure and the molecular packing mode. In the literature, we have well-established models of H and J aggregates defined based on the molecular exciton model. However, unconventional aggregates, the most unrecognized forms, have been generating interest...
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Magnetic anisotropy and structural flexibility in the f ield-induced single ion magnets [Co{(OPPh2) (EPPh2)N}2], E = S, Se, explored by experimental and computational methods
PublicationDuring the last few years, a large number of mononuclear Co(II) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(II) S = 3/2 tetrahedral [Co{(OPPh2)(EPPh2)N}2], E = S, Se, complexes (abbreviated as CoO2E2), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically,...
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Enhancement of the Magnetic Coupling in Exfoliated CrCl 3 Crystals Observed by Low‐Temperature Magnetic Force Microscopy and X‐ray Magnetic Circular Dichroism
PublicationMagnetic crystals formed by 2D layers interacting by weak van der Waals forces are currently a hot research topic. When these crystals are thinned to nanometric size, they can manifest strikingly different magnetic behavior compared to the bulk form. This can be the result of, for example, quantum electronic confinement effects, the presence of defects, or pinning of the crystallographic structure in metastable phases induced by...
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Mathematical modeling of hydrogen production performance in thermocatalytic reactor based on the intermetallic phase of Ni3Al
PublicationThe main goal of the following work is to adjust mathematical modelling for mass transfer, to specific conditions resulting from presence of chemical surface reactions in the flow of the mixture consisting of helium and methanol. The thermocatalytic devices used for decomposition of organic compounds incorporate microchannels coupled at the ends and heated to 500 oC at the walls regions. The results of the experiment were compared...
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The elasto-plastic numerical study of crack initiation in notched PMMA specimens under uniaxial loading conditions – Tension and torsion
PublicationThis paper presents the results of FEM numerical calculations aimed at describing the plastic strain and stress fields under critical loading conditions: tensile force or torsional moment. The calculations were carried out with reference to the results of experimental tensile and torsional tests of flat PMMA specimens weakened with V-notches of different root radii: 0.5, 2 and 10 mm. The procedure for conducting nonlinear numerical...
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PROBLEMY RACJONALNEGO ZASTOSOWANIA SYSTEMÓW DIAGNOZUJĄCYCH DO PODEJMOWANIA DECYZJI W FAZIE EKSPLOATACJI URZĄDZEŃ ENERGETYCZNYCH Z UWZGLĘDNIENIEM ZAGADNIEŃ KWANTOWYCH
PublicationW rozdziale przedstawiono najistotniejsze problemy pojawiające się w fazie projektowania, wytwarzania i eksploatacji systemów diagnozujących (SDG) urządzeń energetycznych (będących systemami diagnozowanymi – SDN), w przypadku przysposabiania ich do opracowania finalnej diagnozy eksploatacyjnej. Przestawiono opisową i formalną interpretację pojęcia systemu diagnozującego (SDG). Zaproponowano modele procesu diagnozowania urządzeń...
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Piotr Skurski prof. dr hab.
PeoplePiotr Stanisław Skurski (ur. 25 sierpnia 1969 w Gdańsku) – polski chemik specjalizujący się w chemii kwantowej i fizycznej, profesor nauk chemicznych, profesor zwyczajny Wydziału Chemii Uniwersytetu Gdańskiego, kierownik Katedry Chemii Teoretycznej i Pracowni Chemii Kwantowej na tym wydziale, a także Professor of Chemistry w Henry Eyring Center for Theoretical Chemistry na Uniwersytecie Utah w Stanach Zjednoczonych. W latach 2011-2016 członek...
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Load carrying capacity of the eccentric joint in the truss made of open cross-sections
PublicationThe influence of eccentricity at intersections of truss members on the load carrying capacity of the truss joint is presented in the paper. The research truss elements were designed as cold-formed open cross section. Analytical calculations, numerical analysis and experimental research were conducted to reveal how the eccentricity affects the effort of material in the joint area. The results of analysis and investigations are compared...
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Reliability assessment of truss towers using Monte Carlo Method, PEM and RSM
PublicationThe paper discusses the reliability assessment of simple random truss structures using three different probabilistic methodologies: the Monte Carlo method, the Point Estimate Method and the Response Surface Method. A benchmark truss structure example is analyzed. A set of numerical calculations of critical load is performed and the results are taken as the basis of advanced probabilistic calculations. Using the samples, numerical...
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Accuracy of the discrete Green's function computations
PublicationThis paper discusses the accuracy of the discrete Green's function (DGF) computations. Recently closed-form expression of the DGF and its efficient numerical implementation were presented which facilitate the DGF applications in FDTD simulations of radiation and scattering problems. By carefully comparing the DGF results to those of the FDTD simulation, one can make conclusions about the range of the applicability of the DGF for...
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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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Left-handed propagation characteristics of a dielectric and metal-loaded periodic circular waveguide
PublicationIn this paper, a periodic dielectric/metallic rod is located in a circular waveguide to obtain left-handed operation. Two geometries of the dielectric/metallic rod are proposed and examined. The dispersion characteristics of the investigated waveguides are obtained using a surface impedance model. Moreover, equivalent circuit models are proposed allowing for calculation of the dispersion characteristics and scattering parameters...
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Verification of the new viscoelastic method of thermal stress calculation in asphalt layers of pavements
PublicationThe new viscoelastic method of thermal stress calculations in asphalt layers has been developed and published recently by the author. This paper presents verification of this method. The verification is based on the comparison of the results of calculations with results of testing of thermal stresses in Thermal Stress Restrained Specimen Test. The calculations of thermal stresses according to the new method were based on rheological...
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Optical Parameters Stability Over Time of Porous Phantoms Mimicking Tissues
Open Research DataOptical phantoms are used to validate optical measurement methods. The stability of their optical parameters over time allows them to be used and stored over long-term periods while maintaining their optical parameters. The aim of the presented research was to investigate the stability of fabricated porous phantoms, which can be used as a lung phantom...
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Au nanoparticles identifiction with the use of AFM Volta potential mapping
Open Research DataThe specific physical, chemical and electrochemical electrical properties of gold nanoparticles have led to their extensive use as high-performance chemical and biochemical sensors. The described properties relate to surface plasmon resonance, fluorescence quenching or enhancement, high electrical conductivity and light scattering. The described nanoparticles...
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Multi-layered tissue head phantoms for noninvasive optical diagnostics
PublicationExtensive research in the area of optical sensing for medical diagnostics requires development of tissue phantoms with optical properties similar to those of living human tissues. Development and improvement of in vivo optical measurement systems requires the use of stable tissue phantoms with known characteristics, which are mainly used for calibration of such systems and testing their performance over time. Optical and mechanical...
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Use of optical skin phantoms for calibration of dermatological lasers
PublicationA wide range of dermatological diseases can be efficiently treated using laser heating. Nevertheless, before the new laser is introduced into clinical practice, its parameters and ability to interact with human skin have to be carefully examined. In order to do that optical skin phantoms can be used. Such phantoms closely imitate the scattering and absorption properties of real human skin tissue along with its thermal properties,...
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Comparison between measured and calculated underwater pressure of merchant ship
PublicationFrom 2012 The Polish Naval Academy take part in an international research project SIRAMIS, carried out in the framework of the European Defence Agency. The objective of this project is to improve the understanding of ship signature interaction with multi influence sensors in relevant and realistic scenario's. This paper describes selected results of the comparison results of sea trials and model calculations of the hydrodynamic...
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Logistical Aspects of Energy Conversion Efficiency in Marine Steam Power Plants in Off-Design Conditions
PublicationThe paper presents logistical aspects of energy conversion efficiency in off-design conditions. The main part of the article is based on results of thermodynamic calculation for large propulsion steam turbine under partial loads. Calculations are made on extended mathematical model of two proposed steam turbine thermodynamic cycles using Stodola’s cone law. The conclusion based on calculation re-sults contains importance of off-design...
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Reliability assessment of truss towers using Monte Carlo Method, PEM and RSM
PublicationThe paper discusses reliability assessment of simple random truss structures using three different probabilistic methodologies: the Monte Carlo Method (MCM), the Point Estimate Method (PEM) and the Response Surface Method (RSM). A benchmark truss structure and a simplified full–size engineering tower are both analyzed. A set of ultimate load numerical calculations is performed and the results are taken as the basis of advanced...
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DFT studies of the refractive index of boron-doped diamond
PublicationThe density functional theory is one of the optimal solutions in calculation of optical properties of materials on the quantum scale. In this paper, we have investigated the refractive index of a boron-doped diamond structure with the usage of Atomistic Toolkit software from Synopsys. During this study, various methods and pseudopotentials were checked to obtain an optimal performanceaccuracy method for calculation of such materials....
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Experimental Extraction of Secure Correlations from a Noisy Private State
PublicationWe report experimental generation of a noisy entangled four-photon state that exhibits a separation between the secure key contents and distillable entanglement, a hallmark feature of the recently established quantum theory of private states. The privacy analysis, based on the full tomographic reconstruction of the prepared state, is utilized in a proof-of-principle key generation. The inferiority of distillation-based strategies...
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Crystallization of space: Space-time fractals from fractal arithmetic
PublicationFractals such as the Cantor set can be equipped with intrinsic arithmetic operations (addition, subtraction, multiplication, division) that map the fractal into itself. The arithmetics allows one to define calculus and algebra intrinsic to the fractal in question, and one can formulate classical and quantum physics within the fractal set. In particular, fractals in space-time can be generated by means of homogeneous spaces associated...
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The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.
Open Research DataA chemical and mechanical pressure-induced photoluminescence tuning method was developed through structural evolution and hydrostatic pressure involving phase transition. A series of Ga1.98−xAlxO3:0.02Cr3+ phosphors were synthesized by collaborators from National Taiwan University. Structural evolution reveals a crystal phase change with the incorporation...
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The luminescence study of Ga2–x(Al0.68In0.32)xO3:Cr3+ coumpounds.
Open Research DataNear-infrared (NIR) phosphor-converted light-emitting diodes (pc-LEDs) are a highly efficient perspective NIR light source, with application hindered by a narrow emission band. In this work, we broaden the emission of a new series of NIR phosphors by controlling crystal structure disorder through cation cosubstitution. By substituting Ga3+ with (Al0.68In0.32)3+,...
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The luminescence study ofNaK2Li[Li3SiO4]4:Ce coumpounds.
Open Research DataPhosphors with a rigid and symmetrical structure are urgently needed. The alkali lithosilicate family (A[Li3SiO4]) has been extensively studied with a narrow emission band due to its unique cuboid-coordinated environment and rigid structure. However, here we demonstrate for the first time Ce-doped NaK2Li[Li3SiO4]4 phosphors with a broad emission band,...
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Analysis of Corrugated Coaxial Line with the Use of Body of Revolution and Finite Element Method
PublicationA combination of the body-of-revolution and finite element methods is utilized to the analysis of coaxial lines with corrugated rod and wall. Both periodic and non-periodic structures can be investigated. As the structure is axially symmetrical the two dimensional scalar-vector finite element method can be used, which allows for the investigation of complex geometries and is computationally efficient. A generalized impedance matrix...
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Nano-structured Pt embedded in the acidic salts of heteropolymolybdate matrices: MS XAFS study
PublicationMultiple-scattering extended X-ray absorption fine structure (MS EXAFS) study combined with TEM and XRD analysis of a novel Pt-based catalyst operating at low temperature fuel cells (FCs) is presented. Innovation in the case of the considered catalyst resides in the use of a porous inorganic matrix of acidic heteropolymolybdate salts as a catalyst support. Obtained results show the relation between the matrix composition and the...
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A Goal-Oriented Error Estimator for Reduced Basis Method Modeling of Microwave Devices
PublicationThis letter proposes a novel a-posteriori error estimator suitable for the reduced order modeling of microwave circuits. Unlike the existing error estimators based on impedance function residuals, the new one exploits the residual error associated with the computation of the scattering matrix. The estimator can be effectively used in the Reduced Basis Method (RBM) to automatically generate reduced-order models. The results of numerical...
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Numerical Characterization of Thresholds for the Focusing 1d Nonlinear Schrödinger Equation
PublicationThe focusing nonlinear Schrödinger equation arises in various physical phenomena and it is therefore of interest to determine mathematical conditions on the initial data that guarantee whether the corresponding solution will blow up in finite time or exist globally in time. We focus on solutions to the mass‐supercritical nonlinear Schrödinger equation (1) in 1D case. In particular, we investigate numerical thresholds between blow...
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Ab-initio study of electrical and optical properties of allylamine
PublicationThe Density functional theory is one of most promising methodology in fast and accurate calculations of electrical and optical properties from the atomic basis. In this paper, we calculate electrical and optical properties of allylamine (2-propen 1- amine) in terms of accuracy and speed of calculations obtained by selection of DFT-1/2 method with ultrasoft Vanderbilt pseudopotentials. Comparison of density of states between...