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1.
Int J Mol Sci ; 25(6)2024 Mar 18.
Artigo em Inglês | MEDLINE | ID: mdl-38542384

RESUMO

We present ionization cross sections of hydrogen molecules by electron and positron impact for impact energies between 20 and 1000 eV. A three-body Classical Trajectory Monte Carlo approximation is applied to mimic the collision system. In this approach, the H2 molecule is modeled by a hydrogen-type atom with one active electron bound to a central core of effective charge with an effective binding energy. Although this model is crude for describing a hydrogen molecule, we found that the total cross sections for positron impact agree reasonably well with the experimental data. For the electron impact, our calculated cross sections are in good agreement with the experimental data in impact energies between 80 eV and 400 eV but are smaller at higher impact energies and larger at lower impact energies. Our calculated cross sections are compared with the scaled cross sections obtained experimentally for an atomic hydrogen target. We also present single differential cross sections as a function of the energy and angle of the ejected electron and scattered projectiles for a 250 eV impact. These are shown to agree well with available data. Impact parameter distributions are also compared for several impact energies.


Assuntos
Elétrons , Hidrogênio , Água/química , Fenômenos Físicos , Método de Monte Carlo
2.
Sci Rep ; 12(1): 18201, 2022 Oct 28.
Artigo em Inglês | MEDLINE | ID: mdl-36307500

RESUMO

We report an improved calculation of the electron backscattering coefficients (BSCs) for beryllium, molybdenum and tungsten at electron energies of 0.1-100 keV based on an up-to-date Monte Carlo simulation method with different input of energy loss function (ELF) data. The electron inelastic cross-section is derived from the relativistic dielectric functional formalism, where the full Penn's algorithm is applied for the extension of the ELF from the optical limit of [Formula: see text] into the [Formula: see text]-plane. We have found that the accuracy of energy loss function may affect largely the calculated BSC. We also show that this has close relationship with the f- and ps-sum rules.

3.
Sci Rep ; 12(1): 2877, 2022 Feb 21.
Artigo em Inglês | MEDLINE | ID: mdl-35190560

RESUMO

We present numerical investigations of the strong-field attosecond photoelectron holography by analyzing the holographic interference structures in the two-dimensional photoelectron momentum distribution (PMD) in hydrogen atom target induced by a strong infrared laser pulse. The PMDs are calculated by solving the full-dimensional time-dependent Schrödinger equation. The effect of the number of optical cycles on the PMD is considered and analyzed. We show how the complex interference patterns are formed from a single-cycle pulse to multi-cycle pulses. Furthermore, snapshots of the PMD during the time evolution are presented for a single-cycle pulse in order to track the formation of the so-called fish-bone like holographic structure. The spider- and fan-like holographic structures are also identified and investigated. We found that the fan-like structure could only be identified clearly for pulses with three or more optical cycles and its symmetry depends closely on the number of optical cycles. In addition, we found that the intensity and wavelength of the laser pulse affect the density of interference fringes in the holographic patterns. We show that the longer the wavelength, the more the holographic structures are confined to the polarization axis.

4.
Sci Rep ; 11(1): 20164, 2021 Oct 11.
Artigo em Inglês | MEDLINE | ID: mdl-34635763

RESUMO

We present state-selective electron capture cross sections in collision between Be4+ and ground state hydrogen atom. The n- and nl-selective electron capture cross sections are calculated by a three-body classical trajectory Monte Carlo method (CTMC) and by a classical simulation schema mimicking quantum features of the collision system. The quantum behavior is taken into account with the correction term in the Hamiltonian as was proposed by Kirschbaum and Wilets (Phys Rev A 21:834, 1980). Calculations are carried out in the projectile energy range of 1-1000 keV/amu. We found that our model for Be4+ + H(1s) system remarkably improves the obtained state-selective electron capture cross sections, especially at lower projectile energies. Our results are very close and are in good agreement with the previously obtained quantum-mechanical results. Moreover, our model with simplicity can time efficiently carry out simulations where maybe the quantum mechanical ones become complicated, therefore, our model should be an alternative way to calculate accurate cross sections and maybe can replace the quantum-mechanical methods.

5.
Sci Rep ; 11(1): 5954, 2021 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-33723341

RESUMO

We present the first theoretical recipe for the clear and individual separation of surface, bulk and Begrenzungs effect components in surface electron energy spectra. The procedure ends up with the spectral contributions originated from surface and bulk-Begrenzungs excitations by using a simple method for dealing with the mixed scatterings. As an example, the model is applied to the reflection electron energy loss spectroscopy spectrum of Si. The electron spectroscopy techniques can directly use the present calculation schema to identify the origin of the electron signals from a sample. Our model provides the possibility for the detailed and accurate quantitative analysis of REELS spectra.

6.
Artigo em Inglês | MEDLINE | ID: mdl-33584133

RESUMO

Many particle spectroscopy is a subject of continued interest to many experimental and theoretical groups worldwide. It is based on the coincidence spectroscopy of minimum two particles coming from the same elementary process. It is a very powerful tool for studying not just atoms and molecules but also more extended electronic systems such as clusters and surfaces. Due to the large variety of its applications, it is really an interdisciplinary research field. This Topical Issue presents a state-of-the-art description of current research activities in the field of many particle spectroscopy. The contributions to this Issue represent original research results on both experimental and theoretical studies, involving the interaction of various projectiles, like photons, electrons, ions with atoms, molecules, clusters and surfaces.

7.
Int J Mol Sci ; 22(2)2021 Jan 11.
Artigo em Inglês | MEDLINE | ID: mdl-33440715

RESUMO

Electron interaction with methane molecule and accurate determination of its elastic cross-section is a demanding task for both experimental and theoretical standpoints and relevant for our better understanding of the processes in Earth's and Solar outer planet atmospheres, the greenhouse effect or in plasma physics applications like vapor deposition, complex plasma-wall interactions and edge plasma regions of Tokamak. Methane can serve as a test molecule for advancing novel electron-molecule collision theories. We present a combined experimental and theoretical study of the elastic electron differential cross-section from methane molecule, as well as integral and momentum transfer cross-sections in the intermediate energy range (50-300 eV). The experimental setup, based on a crossed beam technique, comprising of an electron gun, a single capillary gas needle and detection system with a channeltron is used in the measurements. The absolute values for cross-sections are obtained by relative-flow method, using argon as a reference. Theoretical results are acquired using two approximations: simple sum of individual atomic cross-sections and the other with molecular effect taken into the account.


Assuntos
Elétrons , Metano/química , Modelos Teóricos , Espalhamento de Radiação , Algoritmos
8.
Microsc Microanal ; 19(3): 576-86, 2013 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-23642665

RESUMO

Electron Rutherford backscattering (ERBS) is a new technique that could be developed into a tool for materials analysis. Here we try to establish a methodology for the use of ERBS for materials analysis of more complex samples using bone minerals as a test case. For this purpose, we also studied several reference samples containing Ca: calcium carbonate (CaCO(3)) and hydroxyapatite and mouse bone powder. A very good understanding of the spectra of CaCO(3) and hydroxyapatite was obtained. Quantitative interpretation of the bone spectrum is more challenging. A good fit of these spectra is only obtained with the same peak widths as used for the hydroxyapatite sample, if one allows for the presence of impurity atoms with a mass close to that of Na and Mg. Our conclusion is that a meaningful interpretation of spectra of more complex samples in terms of composition is indeed possible, but only if widths of the peaks contributing to the spectra are known. Knowledge of the peak widths can either be developed by the study of reference samples (as was done here) or potentially be derived from theory.


Assuntos
Osso e Ossos/química , Compostos Inorgânicos/análise , Minerais/análise , Espectroscopia Fotoeletrônica/métodos , Animais , Camundongos
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