Search results for "Orbit"
showing 10 items of 1104 documents
Predicting the activity of single isolated Lewis acid sites in solid catalysts.
2006
An experimental study of the activity of Ti-, Zr- and Sn-beta catalysts in different types of oxidation reactions is combined with a quantum-chemical analysis of the electronic properties of the active sites and the adsorbed reactants. The differences observed in the catalytic behaviour of the three materials are explained in terms of the molecular orbital distribution of each system. The intrinsic Lewis acid strength of the isolated active site, the degree of back-donation from the catalyst to the empty orbitals of the organic reactant and the net atomic charges on selected atoms are proposed as predictors of reactivity.
Intrinsic spin-orbit interaction in diffusive normal wire Josephson weak links: Supercurrent and density of states
2015
We study the effect of the intrinsic (Rashba or Dresselhaus) spin-orbit interaction in superconductor--nanowire--superconductor (SNS) weak links in the presence of a spin-splitting field that can result either from an intrinsic exchange field or the Zeeman effect of an applied field. We solve the full non-linear Usadel equations numerically and analyze the resulting supercurrent through the weak link and the behavior of the density of states in the center of the wire. We point out how the presence of the spin-orbit interaction gives rise to a long-range spin triplet supercurrent, which remains finite even in the limit of very large exchange fields. In particular, we show how rotating the fi…
Time-delay control for stabilization of the Shapovalov mid-size firm model
2020
Control and stabilization of irregular and unstable behavior of dynamic systems (including chaotic processes) are interdisciplinary problems of interest to a variety of scientific fields and applications. Using the control methods allows improvements in forecasting the dynamics of unstable economic processes and offers opportunities for governments, central banks, and other policy makers to modify the behaviour of the economic system to achieve its best performance. One effective method for control of chaos and computation of unstable periodic orbits (UPOs) is the unstable delay feedback control (UDFC) approach, suggested by K. Pyragas. This paper proposes the application of the Pyragas' me…
The Lorenz system : hidden boundary of practical stability and the Lyapunov dimension
2020
On the example of the famous Lorenz system, the difficulties and opportunities of reliable numerical analysis of chaotic dynamical systems are discussed in this article. For the Lorenz system, the boundaries of global stability are estimated and the difficulties of numerically studying the birth of self-excited and hidden attractors, caused by the loss of global stability, are discussed. The problem of reliable numerical computation of the finite-time Lyapunov dimension along the trajectories over large time intervals is discussed. Estimating the Lyapunov dimension of attractors via the Pyragas time-delayed feedback control technique and the Leonov method is demonstrated. Taking into accoun…
Conformations and Energetics of Sulfur and Selenium Diimides
2003
The geometries and energetics of different conformations of sulfur and selenium diimides E(NR) 2 (E = S, Se; R = H, Me, 'Bu, C 6 H 3 Me 2 -2,6, SiMe 3 ) have been studied by using various ab initio and DFT molecular orbital techniques. The syn,syn conformation is found to be most stable for parent E(NH) 2 , but in general, the preferred molecular conformation for substituted chalcogen diimides is syn,anti. In the case of E(NH) 2 the present calculations further confirm that syn,syn and syn,anti conformations lie energetically close to each other. From the three different theoretical methods used, B3PW91/6.31G * proved to be the most suitable method for predicting the geometries of chalcogen…
Gray Matter Changes in the Orbitofrontal-Paralimbic Cortex in Male Youths With Non-comorbid Conduct Disorder
2020
Conduct disorder is one of the most common developmental psychiatric disorders which is characterized by persistent aggressive and antisocial behaviors during childhood or adolescence. Previous neuroimaging studies have investigated the neural correlates underlying CD and demonstrated several constructive findings. However, Individuals with CD are at high risk for comorbidities, which might give rise to the inconsistencies of existed findings. It remains unclear which neuroanatomical abnormalities are specifically related to CD without comorbidities. Using structural magnetic resonance imaging (sMRI) data of 69 CD and 69 typically developing (TD) male youths (aged 14-17 years), the present …
Mapping daily evapotranspiration at field to continental scales using geostationary and polar orbiting satellite imagery
2011
Abstract. Thermal infrared (TIR) remote sensing of land-surface temperature (LST) provides valuable information about the sub-surface moisture status required for estimating evapotranspiration (ET) and detecting the onset and severity of drought. While empirical indices measuring anomalies in LST and vegetation amount (e.g., as quantified by the Normalized Difference Vegetation Index; NDVI) have demonstrated utility in monitoring ET and drought conditions over large areas, they may provide ambiguous results when other factors (e.g., air temperature, advection) are affecting plant functioning. A more physically based interpretation of LST and NDVI and their relationship to sub-surface moistu…
The Role of Orbital Symmetries in Enforcing Ferromagnetic Ground State in Mixed Radical Dimers
2018
One of the first steps in designing ferromagnetic (FM) molecular materials of p-block radicals is the suppression of covalent radical-radical interactions that stabilize a diamagnetic ground state. In this contribution, we demonstrate that FM coupling between p-block radicals can be achieved by constructing mixed dimers from different radicals with differing symmetries of their singly occupied molecular orbitals. The applicability of this approach is demonstrated by studying magnetic interactions in organic radical dimers built from different derivatives of the well-known phenalenyl radical. The calculated enthalpies of dimerization for different homo- and heterodimers show that the formati…
Discovery of slow X-ray pulsations in the high-mass X-ray binary 4U 2206+54
2008
Context. The source 4U 2206+54 is one of the most enigmatic high-mass X-ray binaries. In spite of intensive searches, X-ray pul- sations have not been detected in the time range 10−3–103 s. A cyclotron line at ∼30 keV has been suggested by various authors but never detected with significance. The stellar wind of the optical companion is abnormally slow. The orbital period, initially reported to be 9.6 days, disappeared and a new periodicity of 19.25 days emerged. Aims. The main objective of our RXTE monitoring of 4U 2206+54 is to study the X-ray orbital variability of the spectral and timing parameters. The new long and uninterrupted RXTE observations allow us to search for long (∼1 h) puls…
Necrobiotic xanthogranuloma. Differential diagnosis, treatment and systemic involvement. Case report
2014
Abstract Case report A 48-year-old male was referred to our hospital for further evaluation of eyelid edema with bilateral yellowish ulcerated nodules. Suspecting a xanthogranulomatosis, imaging tests and biopsy were performed with diagnosis of necrobiotic xanthogranuloma. IgG monoclonal gammapathy was diagnosed in a systemic study. Systemic corticosteroids and cyclosporine were initiated unsuccessfully; therefore, intra-lesional injections of triamcinolone were started, which controlled the orbital disease. Discussion Necrobiotic xanthogranuloma is a rare condition that usually affects the eyelids and anterior orbit. Its diagnosis is important as it is associated with malignant lymphoproli…