Filtry
wszystkich: 460
wybranych: 316
Wyniki wyszukiwania dla: Born-Oppenheimer approximation
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Effects of Ca2+, Mg2+, Na+, and K+ substitutions on the microstructure and electrical properties of GdCoO3 ceramics
PublikacjaGdCoO3-δ, Gd0.975Na0.025CoO3-δ, Gd0.98K0.02CoO3-δ, Gd0.98Ca0.02CoO3-δ, and GdCo0.99Mg0.01O3-δ ceramics were prepared via a solid-state reaction route. Among the dopants studied, substitution with Ca2+ slightly enhanced the densfication of GdCoO3 ceramics. All the lattice parameters of the doped ceramics were larger than those of pure GdCoO3-δ ceramic (a = 5.223 Å, b = 5.389 Å and c = 7.451 Å), and their cell volumes increased by...
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Direct Constraint Control for EM-Based Miniaturization of Microwave Passives
PublikacjaHandling constraints imposed on physical dimensions of microwave circuits has become an important design consideration over the recent years. It is primarily fostered by the needs of emerging application areas such as 5G mobile communications, internet of things, or wearable/implantable devices. The size of conventional passive components is determined by the guided wavelength, and its reduction requires topological modifications,...
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Expedited constrained multi-objective aerodynamic shape optimization by means of physics-based surrogates
PublikacjaIn the paper, computationally efficient constrained multi-objective design optimization of transonic airfoil profiles is considered. Our methodology focuses on fixed-lift design aimed at finding the best possible trade-offs between the two objectives: minimization of the drag coefficient and maximization of the pitching moment. The algorithm presented here exploits the surrogate-based optimization principle, variable-fidelity computational...
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Dimensionality-Reduced Antenna Modeling with Stochastically Established Constrained Domain
PublikacjaOver the recent years, surrogate modeling methods have become increasingly widespread in the design of contemporary antenna systems. On the one hand, it is associated with a growing awareness of numerical optimization, instrumental in achieving high-performance structures. On the other hand, considerable computational expenses incurred by massive full-wave electromagnetic (EM) analyses, routinely employed as a major design tool,...
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Global defensive secure structures
PublikacjaLet S ⊂ V (G) for a given simple non-empty graph G. We define for any nonempty subset X of S the predicate SECG,S(X) = true iff |NG[X]∩S| ≥ |NG[X]\S|. Let H be a non-empty family of graphs such that for each vertex v ∈ V (G) there is a subgraph H of G containing v and isomorphic to a member of H. We introduce the concept of H-alliance extending the concept of global defensive secure structures. By an H-alliance in a graph G we...
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RANS-based design optimization of dual-rotor wind turbines
PublikacjaPurpose An improvement in the energy efficiency of wind turbines can be achieved using dual rotors. Because of complex flow physics, the design of dual-rotor wind turbines (DRWTs) requires repetitive evaluations of computationally expensive partial differential equation (PDE) simulation models. Approaches for solving design optimization of DRWTs constrained by PDE simulations are investigated. The purpose of this study is to determine...
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Sensitivity analysis as a tool to optimise Human Development Index
PublikacjaResearch background: Composite indicators are commonly used as an approximation tool to measure economic development, the standard of living, competitiveness, fairness, effectiveness, and many others being willingly implemented into many different research disciplines. However, it seems that in most cases, the variable weighting procedure is avoided or erroneous since, in most cases, the so-called...
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THE METHOD OF MEASURING THE MEMBRANE COVER GEOMETRY USING LASER SCANNING AND SYNCHRONOUS PHOTOGRAMMETRY
PublikacjaThe authors present the experience and results of field studies carried out at the technical acceptance of Forest Opera (name in Polish: Opera Leśna) in Sopot (Poland). An unusual design of covering made in the form of “Sheerfill I” technical fabric membrane required spanned in the form of sails, required the use of terrestrial laser scanning. Such approach allowed for the fast and accurate record of the surface of individual panels...
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublikacjaThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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Numerical Issues and Approximated Models for the Diagnosis of Transmission Pipelines
PublikacjaThe chapter concerns numerical issues encountered when the pipeline flow process is modeled as a discrete-time state-space model. In particular, issues related to computational complexity and computability are discussed, i.e., simulation feasibility which is connected to the notions of singularity and stability of the model. These properties are critical if a diagnostic system is based on a discrete mathematical model of the flow...
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Scheduling of compatible jobs on parallel machines
PublikacjaThe dissertation discusses the problems of scheduling compatible jobs on parallel machines. Some jobs are incompatible, which is modeled as a binary relation on the set of jobs; the relation is often modeled by an incompatibility graph. We consider two models of machines. The first model, more emphasized in the thesis, is a classical model of scheduling, where each machine does one job at time. The second one is a model of p-batching...
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Representation of magnetic hysteresis in a circuit model of a single-phase transformer
PublikacjaThe paper presents a mathematical model for the hysteresis phenomenon in a multi-winding single-phase core type transformer. The set of loop differential equations was developed for K-th winding transformer model where the flux linkages of each winding includes a flux common Φ to all windings as function of magneto motive force Θ of all windings. The first purpose of this paper is to determine a hysteresis nonlinearity involved...
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Rare earth ions doped K 2 Ta 2 O 6 photocatalysts with enhanced UV–vis light activity
PublikacjaNew rare earth-doped K2Ta2O6 photocatalysts were successfully synthesized by hydrothermal method. The effect of dopant type (Y,Yb,Ho,Pr,Er) and amount of rare earth precursor (2,4,8 and 10 mol%) on the physicochemical and photocatalytic properties of RE-K2Ta2O6 have been investigated. All as-prepared materials were characterized by UV–vis diffuse reflectance spectroscopy, Brunauer-Emmett-Teller specific surface area measurement,...
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Towards spectral sensitivity curve for two-photon vision mechanism
PublikacjaAbstract Purpose: The perceived brightness of different visible light sources can be compared with photometric units based on the standardized luminosity curves (300-780nm range). As reported previously (PNAS 111(50), pp. E5445-E5454 (2014)), near-infrared (NIR) radiation can cause isomerization of visual pigments by one- or two-photon absorption. The perceived color of the stimulus is red in the case of one-photon vision (1PV)...
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Structural properties of hydration shell around various conformations of simple polypeptides
PublikacjaIn this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 310, and α. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation...
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40th EASD Annual Meeting of the European Association for the Study of Diabetes
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