A Relativistic Complex Optical Potential Calculation for Electron–Beryllium Scattering: Recommended Cross Sections

IF 4.4 2区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Journal of Physical and Chemical Reference Data Pub Date : 2018-09-01 DOI:10.1063/1.5047139
R. McEachran, Francisco J. Blanco, G. García, M. Brunger
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引用次数: 12

Abstract

We report results from the application of the relativistic complex optical potential (ROP) method to electron–beryllium scattering. The energy range of this study was 0–5000 eV, with the results for the integral elastic cross sections, momentum transfer cross sections, summed discrete electronic-state excitation integral cross sections, and total ionisation cross sections (TICSs) being reported. However we will largely focus our discussion here on the TICS, due to its importance in simulating the plasma action on beryllium (Be) in the international thermonuclear reactor. The current level of agreement between the various theoretical approaches to calculating the TICS is well summarised in the work of Maihom et al. [Eur. Phys. J. D 67, 2 (2013)] and Blanco et al. [Plasma Sources Sci. Technol. 26, 085004 (2017)], with the level of accord between them being quite marginal. As a consequence, we revisit this problem with improved scattering potentials over those employed in the work of Blanco et al. In addition, we present results from an application of the binary-encounter-Bethe theory for the electron–Be TICS. We find a quite significant improvement in the level of agreement between the TICS from our new ROP calculation and the earlier B-spline R-matrix and convergent close coupling results [O. Zatsarinny et al., J. Phys. B: At., Mol. Opt. Phys. 49, 235701 (2016)], compared to that reported in the work of Blanco et al. As a result of this improved level of accord, we propose here a recommended TICS for e+Be scattering, as well as for the elastic integral and summed electronic-state excitation cross sections, which also incorporates uncertainty estimates for their validity.We report results from the application of the relativistic complex optical potential (ROP) method to electron–beryllium scattering. The energy range of this study was 0–5000 eV, with the results for the integral elastic cross sections, momentum transfer cross sections, summed discrete electronic-state excitation integral cross sections, and total ionisation cross sections (TICSs) being reported. However we will largely focus our discussion here on the TICS, due to its importance in simulating the plasma action on beryllium (Be) in the international thermonuclear reactor. The current level of agreement between the various theoretical approaches to calculating the TICS is well summarised in the work of Maihom et al. [Eur. Phys. J. D 67, 2 (2013)] and Blanco et al. [Plasma Sources Sci. Technol. 26, 085004 (2017)], with the level of accord between them being quite marginal. As a consequence, we revi...
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电子-铍散射的相对论复光学势计算:推荐截面
我们报道了相对论复光学势(ROP)方法在电子-铍散射中的应用结果。本研究的能量范围为0–5000 eV,报告了积分弹性截面、动量传递截面、离散电子态激发积分截面和总电离截面(TICS)的结果。然而,我们将在这里主要讨论TICS,因为它在模拟国际热核反应堆中铍(Be)的等离子体作用方面很重要。Maihom等人【Eur.Phys.J.D67,2(2013)】和Blanco等人【Plasma Sources Sci.Technol.26085004(2017)】的工作很好地总结了目前计算TICS的各种理论方法之间的一致性水平,它们之间的一致程度非常低。因此,与Blanco等人的工作相比,我们用改进的散射势重新审视了这个问题。此外,我们还介绍了电子-Be-TICS的二元相遇-贝思理论的应用结果。我们发现,与Blanco等人的工作相比,我们新的ROP计算和早期的B样条R矩阵以及收敛的紧密耦合结果[O.Zatsarinny等人,J.Phys.B:At.,Mol.Opt.Phys.49235701(2016)]在TICS之间的一致性水平上有了相当显著的提高。由于这种一致性水平的提高,我们在这里为e+Be散射以及弹性积分和电子态激发截面提出了一个推荐的TICS,其中还包含了对其有效性的不确定性估计。我们报道了相对论复光学势(ROP)方法在电子-铍散射中的应用结果。本研究的能量范围为0–5000 eV,报告了积分弹性截面、动量传递截面、离散电子态激发积分截面和总电离截面(TICS)的结果。然而,我们将在这里主要讨论TICS,因为它在模拟国际热核反应堆中铍(Be)的等离子体作用方面很重要。Maihom等人【Eur.Phys.J.D67,2(2013)】和Blanco等人【Plasma Sources Sci.Technol.26085004(2017)】的工作很好地总结了目前计算TICS的各种理论方法之间的一致性水平,它们之间的一致程度非常低。因此,我们回顾。。。
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来源期刊
CiteScore
6.90
自引率
11.60%
发文量
14
审稿时长
>12 weeks
期刊介绍: The Journal of Physical and Chemical Reference Data (JPCRD) is published by AIP Publishing for the U.S. Department of Commerce National Institute of Standards and Technology (NIST). The journal provides critically evaluated physical and chemical property data, fully documented as to the original sources and the criteria used for evaluation, preferably with uncertainty analysis. Critical reviews may also be included if they document a reference database, review the data situation in a field, review reference-quality measurement techniques, or review data evaluation methods.
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