Search results for "signal processing"
showing 10 items of 2451 documents
Improving the QM/MM Description of Chemical Processes: A Dual Level Strategy To Explore the Potential Energy Surface in Very Large Systems.
2005
Potential energy surfaces are fundamental tools for the analysis of reaction mechanisms. The accuracy of these surfaces for reactions in very large systems is often limited by the size of the system even if hybrid quantum mechanics/molecular mechanics (QM/MM) strategies are employed. The large number of degrees of freedom of the system requires hundreds or even thousands of optimization steps to reach convergence. Reactions in condensed media (such as enzymes or solutions) are thus usually restricted to be analyzed using low level quantum mechanical methods, thus introducing a source of error in the description of the QM region. In this paper, an alternative method is proposed, coupled to t…
Energy landscapes of ligand-receptor couples probed by dynamic force spectroscopy.
2013
Playing a dominant role in many biochemical processes are the dynamic properties of molecular linkages; examples include cell adhesion, enzyme-catalyzed reactions, and molecular recognition by antibodies. Dynamic force spectroscopy, namely separating molecular bonds under external force ramps has rapidly become a powerful tool to study the rugged energy landscape of noncovalent ligand-receptor bonds. The picture shows a surface and tip-bound pair being pulled apart and the derived potential energy diagram.
Energy distribution of plasma-assisted electron and ion emission from TGS single crystals
2008
Abstract Electron and ion emission accompanying non-thermal plasma processes, produced at the surface of TGS single crystals under driving ac electric field exceeding 10 3 V/cm, have been carried out. These plasma-assisted emission of electrons and ions were examined by means of time and energy distribution measurements. The intensity of registered charges (electrons and ions) displayed on the 2 ms time scale are represented by two distinct peaks. Time dependent energy spectrum of charges, detected under our experimental conditions, involves electrons and ions with maximum energy up to 30–40 eV for first peaks and up to 70–80 eV for second one. Additionally, the energy of electrons is focu…
Time-resolved luminescence and induced absorption in PbWO4
1997
Abstract Luminescence and short-lived induced absorption are studied for two undoped PbWO4 crystals. Luminescence decay at LNT is delayed relative to irradiation pulse. The delay observed is either due to reabsorption of luminescence or due to creation of luminescence center excited states via energy or/and charge transfer after irradiation pulse. Short-lived absorption is observed within 1.1–3.6 eV spectral region at LNT as well as at RT. It is proposed that the short-lived absorption band peaking at ~ 3.5 eV is intrinsic.
Some Relationships between Molecular Energy-Topology and Symmetry
2001
Molecular Topology (M.T.) has demonstrated its efficiency in the prediction of many experimental parameters. The application of the topological indices to the prediction of pharmacological properties, and, above all, to its inverse problem, the drug design, is particularly interesting [1,2]. Several attempts to explain the reasons of such efficiency have been carried out [3,4]. So far, we are not close to a definitive answer.
Exergoeconomic analysis as support in decision-making for the design and operation of multiple chiller systems in air conditioning applications
2020
Abstract Multiple-chillers systems represent viable solutions for medium/large-scale air conditioning applications characterized by variable cooling demand. The energy efficiency of such systems is influenced by the number of chillers, the combination of cooling capacities, and the load-sharing among the units. Large efforts have been devoted to developing efficient operation strategies for these systems, but rules of thumb are usually adopted for selecting cooling capacities thus leaving room for energy and economic savings. In this paper, exergoeconomic analysis is proposed as a promising method to identify near-optimal design and operation strategies, due to the capability of exergoecono…
Chiral Symmetry And Low Energy Pion Photoproduction
1992
The low energy theorem based on chiral symmetry for the photoproduction of neutral pions from proton at threshold is reviewed in the light of recent experimental results from Saclay and Mainz. There is no appreciable disagreement at threshold but the energy dependence of the threshold amplitude remains unexplained. A critique of the assumptions made in deriving low energy theorems by various methods is presented.
Optimized Multipactor-Resistant Wedge-Shaped Waveguide Bandpass Filters
2013
[EN] Wedge-shaped waveguides present a certain advantage with respect to rectangular waveguides regarding their resistance to multipactor discharges. In this paper, the optimal configuration for the wedge geometry is investigated based on theoretical results, on a precise multipactor prediction tool, and on previous experience. In addition, design rules are presented, which allow us to achieve for wedge-shaped filters electrical performances comparable to the ones of rectangular waveguide filters, while at the same time improving the multipactor-free power range. As a proof of concept, two three-pole bandpass filters with equivalent electrical characteristic of 150-MHz bandwidth, centered a…
Upper Bound for the Approximation Error for the Kirchhoff-Love Arch Problem
2013
In this paper, a guaranteed and computable upper bound of approximation errors for the Kirchhoff-Love arch problem is derived. In general, it belongs to the class of functional a posteriori error estimates. The derivation method uses purely functional arguments and, therefore, the estimates are valid for any conforming approximation within the energy space. The computational implementation of the upper bound is discussed and demonstrated by a numerical example.
Radial symmetry of minimizers to the weighted Dirichlet energy
2020
AbstractWe consider the problem of minimizing the weighted Dirichlet energy between homeomorphisms of planar annuli. A known challenge lies in the case when the weight λ depends on the independent variable z. We prove that for an increasing radial weight λ(z) the infimal energy within the class of all Sobolev homeomorphisms is the same as in the class of radially symmetric maps. For a general radial weight λ(z) we establish the same result in the case when the target is conformally thin compared to the domain. Fixing the admissible homeomorphisms on the outer boundary we establish the radial symmetry for every such weight.