178 resultados para Theoretical Inaccuracy
A theoretical investigation into the thiophene-cracking mechanism over pure Bronsted acidic zeolites
Resumo:
In our previous paper, the expanding cavity model (ECM) and Lame solution were used to obtain an analytical expression for the scale ratio between hardness (H) to reduced modulus (E-r) and unloading work (W-u) to total work (W-t) of indentation for elastic-perfectly plastic materials. In this paper, the more general work-hardening (linear and power-law) materials are studied. Our previous conclusions that this ratio depends mainly on the conical angle of indenter, holds not only for elastic perfectly-plastic materials, but also for work-hardening materials. These results were also verified by numerical simulations.
Resumo:
Theories of wetting of liquids on solid surfaces under the condition that van der Waals force is dominant are briefly reviewed. We show theoretically that Zisman's empirical equation for wetting of liquids on solid surfaces is a linear approximation of the Young-van der Waals equation in the wetting region, and we express the two parameters in Zisman's empirical equation in terms of the dielectric polarizabilities of the solid and liquids. The materials contained in this paper are suitable for physics teaching of wetting phenomena for undergraduate, graduate, general physicist, etc.
A theoretical model for a new dating protocol for quartz based on thermally transferred OSL (TT-OSL)
Resumo:
The pp -> pn pi(+) reaction is a channel with the largest total cross section for pp collision in COSY/CSR energy region. In this work, we investigate individual contributions from various N* and Delta* resonances with mass up to about 2 GeV for the pp -> pn pi(+) reaction. We extend a resonance model, which can reproduce the observed total cross section quite well, to give theoretical predictions of various differential cross sections for the present reaction at T-p = 2.88 GeV. It could serve as a reference for identifying new physics in the future experiments at HIRFL-CSR.
Resumo:
Cross sections for electron impact excitation of lithium from the ground state 1s(2)2s to the excited states 1s2s(2), 1s2p(2), 1s2snp (n = 2-5), 1s2sns (n = 3-5), 1s2pns (n = 3-5), and 1s2pnp (n = 3-5) are calculated by using a full relativistic distorted wave method. The latest experimental electron energy loss spectra for inner-shell electron excitations of lithium at a given incident electron energy of 2500 eV [Chin. Phys. Lett. 25 (2008) 3649] have been reproduced by the present theoretical investigation excellently. At the same time, the structures of electron energy loss spectra of lithium at low incident electron energy are also predicted theoretically, it is found that the electron energy loss spectra in the energy region of 55-57 eV show two-peak structures.
Resumo:
The proton radioactivity half-lives of spherical proton emitters are calculated by the cluster model with the contribution of a centrifugal potential barrier considered separately. The results are compared with the experimental data and other theoretical data, and good agreement is found for most nuclei. In addition, two formulae are proposed for the proton decay half-life of spherical proton emitters through the least squares fit to the experimental data available, and could reproduce the experimental half-lives successfully.
Resumo:
The real-space recursion method and unrestricted Hartree-Fock approximation have been applied to calculate the density of states of various Co perovskite, CeCoO3, SrCoO3 and Sr1-xCexCoO3. We have studied the magnetically ordered states of these Co perovskites in an enlarged double cell, and find its various magnetic structures due to the occupancy of 3d band and its interaction with neighboring Co ions. In this study, we have studied the p-d hybridization of the three Co perovskites, we find t(2g) electrons are localized and the flat e(g) band is responsible for the itinerant behavior, and although the rare earth elements itself contribute little to the DOS at the Fermi energy, the DOS at Fermi energy and the magnetic moment changed consequently because of different valence of Co ions in these compounds and p-d hybridization effect is very important. (C) 2009 Elsevier B.V. All rights reserved.
Resumo:
The proton radioactivity half-lives of spherical proton emitters are investigated within a generalized liquid drop model (GLDM), including the proximity effects between nuclei in a neck and the mass and charge asymmetry. The penetrability is calculated in the WKB approximation and the assault frequency is estimated by the quantum mechanism method considering the structure of the parent nucleus. The spectroscopic factor is taken into account in half-life calculation, which is obtained by employing the relativistic mean field (RMF) theory. The half-lives within the GLDM are compared with the experimental data and other theoretical values. The results show that the GLDM works quite well for spherical proton emitters when the assault frequency is estimated by the quantum mechanical method and the spectroscopic factor is considered.
Resumo:
There can be found some notable discrepancies with regard to the resonance structures when R-matrix calculations from the Opacity Project and other sources are compared with recent absolute experimental measurements of Bizau et al [Astron. Astrophts. 439 387 (2005)] for B-like ions N2+, O3+ and F4+. We performed close-coupling calculations based on the R-matrix formalism for the photoionizations of ions mentioned above both for the ground states and first excited states in the near threshold regions. The present results are compared with experimental ones given by Bizau et al and earlier theoretical ones. Excellent agreement is obtained between our theoretical results and the experimental photoionization cross sections. The present calculations show a significant improvement over the previous theoretical results.
Resumo:
Cross sections of electron- loss in H( 1s)+ H( 1s) collisions and total collisional destruction of H( 2s) in H( 1s) + H( 2s) collisions are calculated by four- body classical- trajectory Monte Carlo ( CTMC) method and compared with previous theoretical and experimental data over the energy range of 4 - 100 keV. For the former a good agreement is obtained within di. erent four- body CTMC calculations, and for the incident energy Ep > 10 keV, comparison with the experimental data shows a better agreement than the results calculated by the impact parameter approximation. For the latter, our theory predicts the correct experimental behaviour, and the discrepancies between our results and experimental ones are less than 30%. Based on the successive comparison with experiments, the cross sections for excitation to H( 2p), single- and double- ionization and H- formation in H( 2s)+ H( 2s) collisions are calculated in the energy range of 4 - 100 keV for the. rst time, and compared with those in H( 1s)+ H( 1s) and H( 1s)+ H( 2s) collisions.