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Search results for: direct dipole approximation
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Sensitivity analysis of critical loads of I-columns
PublicationThe first order variation of critical buckling load of thin-walled columns with bisymmetric open cross-section due to some variations of the design variables such as: cross-section dimensions, or material characteristics is derived. The influence of the residual welding stresses is taken into account. In the numerical examples dealing with I-column the functions describing the effect of the variation of the dimensions of the flange...
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Polypyrrole based gas sensor for ammonia detection
PublicationThe nature of polypyrrole response to toxic gases does not allow using the sensor in a conventional way. The main aim of this study is to acquire the information about the concentration using different approaches: a linear approximation, a non-linear approximation and a tangent method. In this paper a two-steps procedure for sensor response measurements has been utilized. Polypyrrole films were electrochemically synthesized on...
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Dynamic polarizability of the relativistic hydrogenlike atom: Application of the Sturmian expansion of the Dirac-Coulomb Green function
PublicationWe utilize the Sturmian expansion of the Dirac-Coulomb Green function [R. Szmytkowski, J. Phys. B 30, 825 (1997)] to obtain components of the dynamic dipole polarizability tensor of the relativistic hydrogenlike atom in the ground state. It is found that the tensor may be expressed in terms of two independent quantities: a scalar polarizability and a vector polarizability, the latter being of the relativistic origin. In the static...
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The Role of Molecular Structure in Monte Carlo Simulations of the Secondary Electron Yield and Backscattering Coefficient from Methacrylic Acid
PublicationIn this paper, we show the influence of the chemical structure of four different conformers on the secondary electron emission and backscattering of an electron beam from a gel of methacrylic acid. The conformers have different permanent dipole moments, which determines the cross sections for elastic collisions with electrons. The cross sections are used in Monte Carlo simulations of an electron beam, which enters the gel of methacrylic...
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Global Surrogate Modeling by Neural Network-Based Model Uncertainty
PublicationThis work proposes a novel adaptive global surrogate modeling algorithm which uses two neural networks, one for prediction and the other for the model uncertainty. Specifically, the algorithm proceeds in cycles and adaptively enhances the neural network-based surrogate model by selecting the next sampling points guided by an auxiliary neural network approximation of the spatial error. The proposed algorithm is tested numerically...
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Antenna Modeling Using Variable-Fidelity EM Simulations and Constrained Co-Kriging
PublicationUtilization of fast surrogate models has become a viable alternative to direct handling of fullwave electromagnetic (EM) simulations in EM-driven design. Their purpose is to alleviate the difficulties related to high computational cost of multiple simulations required by the common numerical procedures such as parametric optimization or uncertainty quantification. Yet, conventional data-driven (or approximation) modeling techniques...
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A new approach to a fast and accurate design of microwave circuits with complex topologies
PublicationA robust simulation-driven design methodology of microwave circuits with complex topologies has been presented. The general method elaborated is suitable for a wide class of N-port unconventional microwave circuits constructed as a deviation from classic design solutions. The key idea of the approach proposed lies in an iterative redesign of a conventional circuit by a sequential modification and optimisation of its atomic building...
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Neural Approximators for Variable-Order Fractional Calculus Operators (VO-FC)
PublicationThe paper presents research on the approximation of variable-order fractional operators by recurrent neural networks. The research focuses on two basic variable-order fractional operators, i.e., integrator and differentiator. The study includes variations of the order of each fractional operator. The recurrent neural network architecture based on GRU (Gated Recurrent Unit) cells functioned as a neural approximation for selected...
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Wideband High-Gain Low-Profile Series-Fed Antenna Integrated with Optimized Metamaterials for 5G millimeter Wave Applications
PublicationThis paper presents a series-fed four-dipole antenna with a broad bandwidth, high gain, and compact size for 5G millimeter wave (mm-wave) applications. The single dipole antenna provides a maximum gain of 6.2 dBi within its operational bandwidth, which ranges from 25.2 to 32.8 GHz. The proposed approach to enhance both gain and bandwidth involves a series-fed antenna design. It comprises four dipoles with varying lengths, and a...
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Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail
PublicationAmphotericin B (AmB) is a potent but toxic drug commonly used to treat systemic mycoses. Its efficiency as a therapeutic agent depends on its ability to discriminate between mammalian and fungal cell membranes. The association of AmB monomers in an aqueous environment plays an important role in drug selectivity, as oligomers formed prior to membrane insertion – presumably dimers – are believed to act differently on fungal (ergosterol-rich)...
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Measurement Campaign and Mathematical Model Construction for the Ship Zodiak Magnetic Signature Reproduction
PublicationThe paper presents the partial work done within the framework of the EDA Siramis II project focused on magnetic signature reproduction of ships. Reproduction is understood here as the ability to determine the magnetic anomaly of the local Earth magnetic field in any direction and at any measurement depth due to the presence of the analysed object. The B-91 type hydrographic ship Zodiak was selected as the real case study. The work...
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Rothe’s method for physiologically structured models with diffusion
PublicationWe consider structured population models with diffusion and dynamic boundary conditions. The respective approximation, called Rothe’s method, produces positive and exponentially bounded solutions. Its solutions converge to the exact solution of the original PDE.
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Expedited Variable-Resolution Surrogate Modeling of Miniaturized Microwave Passives in Confined Domains
PublicationDesign of miniaturized microwave components is largely based on computational models, primarily, full-wave electromagnetic (EM) simulations. EM analysis is capable of giving an accurate account for cross-coupling effects, substrate and radiation losses, or interactions with environmental components (e.g., connectors). Unfortunately, direct execution of EM-based design tasks such as parametric optimization or uncertainty quantification,...
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Gas sensors based on conducting polymers-recent developments
PublicationThis work discusses sensing performance dependence of PEDOT polymer and its composites on the counter ions used in the polymerization process. The sensors based on PEDOT-RGO composite show reversible response to NO2, while on PEDOT/LiClO4 irreversible. As a result, PEDOT-RGO could be used as a typical gas sensor, while sensor based PEDOT/LiClO4 could be used as an integrating gas sensor, also known as an accumulating gas sensor....
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Multiresolution analysis and adaptive estimation on a sphere using stereographic wavelets
PublicationWe 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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Chromatographic behavior of a new hybrid type RP material containing silica bonded 1,3-alternate 25,27-bis-[cyanopropyloxy]-26,28-bis-[3-propyloxy]-calix[4]arene
PublicationA novel 1,3-alternate 25,27-bis-[cyanopropyloxy]-26,28-bis-[3-propyloxy]-calix[4]arene-bonded silica gel stationary phase (CalixPrCN) was prepared and it's structure was confirmed by ATR-FTIR spectroscopy and elemental analysis. The CalixPrCN phase was characterized in terms of their surface coverage, hydrophobic selectivity, aromatic selectivity, shape selectivity, hydrogen bonding capacity, residue metal content, and silanol...
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Aproksymacja przebiegu trasy kolejowej na przykładzie krzywoliniowego odcinka połączenia Somonino-Gdańsk Osowa
PublicationW artykule zaprezentowano wyniki wyznaczenia współrzędnych przebiegu trasy kolejowej metodami aproksymacji wielomianowej i interpolacji krzywą kubiczną w oparciu o pomiary czasu rzeczywistego GPS zrealizowane z wykorzystanie polskiej aktywnej sieci geodezyjnej ASG-EUPOS. Rozważania teoretyczne poparte zostały praktycznym przykładem aplikacyjnym opartym o zrealizowane pomiary inwentaryzacyjne zmodernizowanego odcinka toru kolejowego...
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Application of regularized Savitzky–Golay filters to identification of time-varying systems
PublicationSavitzky–Golay (SG) filtering is a classical signal smoothing technique based on the local least squares approximation of the analyzed signal by a linear combination of known functions of time (originally — powers of time, which corresponds to polynomial approximation). It is shown that the regularized version of the SG algorithm can be successfully applied to identification of time-varying finite impulse response (FIR) systems....
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Scheduling on Uniform and Unrelated Machines with Bipartite Incompatibility Graphs
PublicationThe problem of scheduling jobs on parallel machines under an incompatibility relation is considered in this paper. In this model, a binary relation between jobs is given and no two jobs that are in the relation can be scheduled on the same machine. We consider job scheduling under the incompatibility relation modeled by a bipartite graph, under the makespan optimality criterion, on uniform and unrelated machines. Unrelated machines...
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Shared processor scheduling of multiprocessor jobs
PublicationWe study a problem of shared processor scheduling of multiprocessor weighted jobs. Each job can be executed on its private processor and simultaneously on possibly many processors shared by all jobs. This simultaneous execution reduces their completion times due to the processing time overlap. Each of the m shared processors may charge a different fee but otherwise the processors are identical. The goal is to maximize the total...
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Multi-objective design of miniaturized impedance transformers by domain segmentation
PublicationFast multi-objective design optimization of compact microstrip impedance transformers is discussed. Our approach exploits approximation models constructed using sampled coarse- mesh EM simulation data in a partitioned design space and response correction techniques for design refinement. Demonstra
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Combined spline wavelet decomposition for 3d seafloor imaging from multibeam sonar echoes
PublicationThe paper proposes combined spline-wavelet approach to the raw echoes seaflor imaging from Multibeam Sonar System (MBSS) records. Wavelet representation is closely related to image representation, due to its unique approximations properties. Splines have the best approximation properties among all known wavelets of a given order, so they are best suited for approximating of smooth seafloor surface. Additionaly, wavelet bases have...
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Method of lines for physiologically structured models with diffusion
PublicationWe deal with a size-structured model with diffusion. Partial differential equations are approximated by a large system of ordinary differential equations. Due to a maximum principle for this approximation method its solutions preserve positivity and boundedness. We formulate theorems on stability of the method of lines and provide suitable numerical experiments.
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Computationally Efficient Design Optimization of Compact Microwave and Antenna Structures
PublicationMiniaturization is one of the important concerns of contemporary wireless communication systems, especially regarding their passive microwave components, such as filters, couplers, power dividers, etc., as well as antennas. It is also very challenging, because adequate performance evaluation of such components requires full-wave electromagnetic (EM) simulation, which is computationally expensive. Although high-fidelity EM analysis...
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Cost-efficient multi-objective design optimization of antennas in highly-dimensional parameter spaces
PublicationMulti-objective optimization of antenna structures in highly-dimensional parameter spaces is investigated. For expedited design, variable-fidelity EM simulations and domain patching algorithm are utilized. The results obtained for a monopole antenna with 13 geometry parameters are compared with surrogate-assisted optimization involving response surface approximation modeling.
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Sum-over-state expressions including second-order Herzberg–Teller effects for the calculation of absorption and resonance Raman intensities
PublicationThe sum-over-state expressions are derived to calculate the second-order Herzberg–Teller (HT) effects in absorption and resonance Raman spectroscopies. These effects depend on the second derivatives of the transition dipole moment with respect to the vibrational coordinates. The method is applied to the molecule of 1,3-butadiene using density functional theory calculations. It is found that the second-order HT effects are significant...
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On the Structure of Time in Computational Semantics of a Variable-Step Solver for Hybrid Behavior Analysis
PublicationHybrid dynamic systems combine continuous and discrete behavior. Often, computational approaches are employed to derive behaviors that approximate the analytic solution. An important part of this is the approximation of differential equation behavior by numerical integration. The accuracy and computational efficiency of the integration usually depend on the complexity of the method and its implicated approximation errors, especially...
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Pareto Ranking Bisection Algorithm for EM-Driven Multi-Objective Design of Antennas in Highly-Dimensional Parameter Spaces
PublicationA deterministic technique for fast surrogate-assisted multi-objective design optimization of antennas in highly-dimensional parameters spaces has been discussed. In this two-stage approach, the initial approximation of the Pareto set representing the best compromise between conflicting objectives is obtained using a bisection algorithm which finds new Pareto-optimal designs by dividing the line segments interconnecting previously...
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High catalytic performance of laccase wired to naphthylated multiwall carbon nanotubes
PublicationThe direct electrical connection of laccase on the electrode surface is a key feature in the design of efficient and stable biocathodes. However, laccases can perform a direct electron transfer only when they are in the preferable orientation toward the electrode. Here we report the investigation of the orientation of Laccase from Amano on multi-walled carbon nanotube surface modified with naphthalene group. Naphthylated multi...
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Practical aspects of testing superconducting electromagnets by the capacitor discharge method taking into account the non-linearity of circuit parameters
PublicationThe article presents selected issues related to the development and testing of the diagnostics systems dedicated for superconducting electromagnets. The systems were constructed to assess the production quality of superconducting electromagnets of the SIS100 synchrotron, a new accelerator being built as part of the Facility of Antiproton and Ion Research (FAIR). One of the systems is used for automatic checking of electrical connection...
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Low-energy positron scattering from gas-phase tetrahydrofuran: A quantum treatment of the dynamics and a comparison with experiments
PublicationIn this paper we report new quantum calculations of the dynamics for low-energy positrons interacting with gaseous molecules of tetrahydrofuran. The new quantum scattering cross sections are differential and integral cross sections at collision energies between 1.0 and 25.0 eV and include a careful treatment of the additional effects on the scattering process brought about by the permanent dipole moment of the target molecule....
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Rapid dimension scaling of triple-band antennas by means of inverse surrogate modeling
PublicationGeometry scaling of antennas, i.e., finding optimum dimensions of the structure for given operating conditions and material parameters is an important yet challenging problem. In this paper, we discuss fast dimension scaling of triple-band antennas with respect to operating frequencies. We adopt the inverse surrogate modeling approach where the surrogate model is a function of the three operating frequencies of the antenna and...
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Fundamentals of Physics-Based Surrogate Modeling
PublicationChapter 1 was focused on data-driven (or approximation-based) modeling methods. The second major class of surrogates are physics-based models outlined in this chapter. Although they are not as popular, their importance is growing because of the challenges related to construction and handling of approximation surrogates for many real-world problems. The high cost of evaluating computational models, nonlinearity of system responses,...
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Laboratory Determination of Burger's Model Parameters for Visco-elastic Analysis of Road Pavement Materials
PublicationBurger's Model is one of those models that describes performance of asphalt mixtures. Its parameters can be used in road construction analysis based on visco-elastic properties in wide variety of temperatures using dedicated programs (e.g. Veroad) or in Finite Element Method (FEM). Parameters of Burger's Model can be used for example in prediction of low temperature cracking in low winter temperatures or permanent deformation...
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Oriented Gaussian beams for high-accuracy computation with accuracy control of X-ray propagation through a multi-lens system
PublicationA 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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A Simplified Method of Trend Removal to Determine Noise Observed During a Supercapacitor’s Discharging
PublicationIn this paper, new method of trend removal is proposed. This is a simplified method based on Empirical Mode Decomposition (EMD). The method was applied for voltage time series observed during supercapacitor discharging process. It assured the determination of an additive noise component after subtracting the identified trend component. We analyzed voltage time series observed between the terminals of the supercapacitor when discharged...
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Exploiting multi-interface networks: Connectivity and Cheapest Paths
PublicationLet G = (V,E) be a graph which models a set of wireless devices (nodes V) that can communicate by means of multiple radio interfaces, according to proximity and common interfaces (edges E). The problem of switching on (activating) the minimum cost set of interfaces at the nodes in order to guarantee the coverage of G was recently studied. A connection is covered (activated) when the endpoints of the corresponding edge share at...
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Fluorescence of p-hydroxyazobenzocrowns – Tautomeric equilibrium effect
PublicationThe spectroscopic properties of a series of para-hydroxyazobenzocrowns, including three novel compounds, were investigated using UV–Vis absorption and emission spectroscopy. This study presents, for the first time, determined quantum yield (QY) values for macrocycles of this category, ranging between 0.122 and 0.195. The highest values were obtained for crowns bearing two phenyl substituents in benzene rings. The impact of aromatic...
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Closed-form expression for the magnetic shielding constant of the relativistic hydrogenlike atom in an arbitrary discrete energy eigenstate: Application of the Sturmian expansion of the generalized Dirac–Coulomb Green function
PublicationWe present analytical derivation of the closed-form expression for the dipole magnetic shielding constant of a Dirac one-electron atom being in an arbitrary discrete energy eigenstate. The external magnetic field, by which the atomic state is perturbed, is assumed to be weak, uniform, and time independent. With respect to the atomic nucleus we assume that it is pointlike, spinless, motionless, and of charge Ze. Calculations are...
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Second-order Stark effect and polarizability of a relativistic two-dimensional hydrogenlike atom in the ground state
PublicationThe second-order Stark effect for a planar Dirac one-electron atom in the ground state is analyzed within the framework of the Rayleigh-Schrödinger perturbation theory, with the use of the Sturmian series expansion of the generalized Dirac-Coulomb Green's function. A closed-form analytical expression for the static dipole polarizability of that system is found. The formula involves the generalized hypergeometric function ${}_{3}F_{2}$...
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Structure and optical parameters of Eu doped tellurium oxide thin films prepared by reactive magnetron sputtering method
PublicationIn 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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A Monte Carlo Strategy to simulate Positrons and Positronium in biological Materials
PublicationWe present an algorithm for Monte Carlo simulations of positron tracks in biological materials. The algorithm takes into account the cross-section data for elastic and inelastic collisions between positrons and molecules and processes like direct annihilation, ionization and positronium formation. In the case of positronium formation, the algorithm considers the interactions of positronium with molecules. The algorithm can be used...
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A method of measuring RLC components for microcontroller systems
PublicationA new method of measuring RLC components for microcontroller systems dedicated to compact smart impedance sensors based on a direct sensor-microcontroller interface is presented. In the method this direct interface composed of a reference resistor connected in series with the tested sensor impedance is stimulated by a square wave generated by the microcontroller, and then its voltage response is sampled by an internal ADC of the...
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Words context analysis for improvement of information retrieval
PublicationIn the article we present an approach to improvement of retrieval informationfrom large text collections using words context vectors. The vectorshave been created analyzing English Wikipedia with Hyperspace Analogue to Language model of words similarity. For test phrases we evaluate retrieval with direct user queries as well as retrieval with context vectors of these queries. The results indicate that the proposed method can not...
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Reduced-Cost Constrained Modeling of Microwave and Antenna Components: Recent Advances
PublicationElectromagnetic (EM) simulation models are ubiquitous in the design of microwave and antenna components. EM analysis is reliable but CPU intensive. In particular, multiple simulations entailed by parametric optimization or uncertainty quantification may considerably slow down the design processes. In order to address this problem, it is possible to employ fast metamodels. Here, the popular solution approaches are approximation...
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Uniform sampling in constrained domains for low-cost surrogate modeling of antenna input characteristics
PublicationIn this letter, a design of experiments technique that permits uniform sampling in constrained domains is proposed. The discussed method is applied to generate training data for construction of fast replacement models (surrogates) of antenna input characteristics. The modeling process is design-oriented with the surrogate domain spanned by a set of reference designs optimized with respect to the performance figures and/or operating...
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Poly-L-Lysine-modified boron-doped diamond electrodes for the amperometric detection of nucleic acid bases
PublicationBoron-doped diamond (BDD) is a very promising supporting material used in the construction of biosensors for molecular recognition. The direct immobilization of structurally-organized huge molecules, such as poly-L-Lysine (PLL) provides the possibility of determining organic molecules, e.g. nucleic acid bases (e.g. adenine, guanine) or peptides and proteins. This paper describes the direct method for chemical and electrochemical...
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Accelerated Re-Design of Antenna Structures Using Sensitivity-Based Inverse Surrogates
PublicationThe paper proposes a novel framework for accelerated re-design (dimension scaling) of antenna structures using inverse surrogates. The major contribution of the work is a sensitivity-based model identification procedure, which permits a significant reduction of the number of reference designs required to render the surrogate. Rigorous formulation of the approach is supplemented by its comprehensive numerical validation using a...
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Do positrons measure atomic and molecular diameters?
PublicationWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Interaction of Novel Ionic Liquids with Soils
PublicationWith the constant development of new ionic liquids, the understanding of the chemical fate of these compounds also needs to be updated. To this effect, in this contribution, the interaction of a number of novel ionic liquids with soils was determined. Therefore, three novel headgroups (ammonium, phosphonium or pyrrolidinium) with single or quaternary substitution were tested on a variety of soils with high to low organic matter...