Inelastic O+H collisions and the OI 777nm solar centre-to-limb variation

The OI 777 nm triplet is a key diagnostic of oxygen abundances in the atmospheres of FGK-type stars; however it is sensitive to departures from local thermodynamic equilibrium (LTE). The accuracy of non-LTE line formation calculations has hitherto been limited by errors in the inelastic O+H collisional rate coefficients: several recent studies have used the so-called Drawin recipe, albeit with a correction factor $\mathrm{S_{H}}$ that is calibrated to the solar centre-to-limb variation of the triplet. We present a new model oxygen atom that incorporates inelastic O+H collisional rate coefficients using an asymptotic two-electron model based on linear combinations of atomic orbitals, combined with a free electron model, based on the impulse approximation. Using a 3D hydrodynamic stagger model solar atmosphere and 3D non-LTE line formation calculations, we demonstrate that this physically-motivated approach is able to reproduce the solar centre-to-limb variation of the triplet to 0.02 dex, without any calibration of the inelastic collisional rate coefficients or other free parameters. We infer $\log\epsilon_{\mathrm{O}}=8.69\pm0.03$ from the triplet alone, strengthening the case for a low solar oxygen abundance.Comment: 13 pages, 8 figures; published in Astronomy & Astrophysic

Electron Scattering Cross-Section Calculations for Atomic and Molecular Iodine

Cross sections for electron scattering from atomic and molecular iodine are calculated based on the R-matrix (close-coupling) method. Elastic and electronic excitation cross sections are presented for both I and I2. The dissociative electron attachment and vibrational excitation cross sections of the iodine molecule are obtained using the local complex potential approximation. Ionization cross sections are also computed for I2 using the BEB mode

A Comprehensive X-ray Absorption Model for Atomic Oxygen

An analytical formula is developed to represent accurately the photoabsorption cross section of O I for all energies of interest in X-ray spectral modeling. In the vicinity of the Kedge, a Rydberg series expression is used to fit R-matrix results, including important orbital relaxation effects, that accurately predict the absorption oscillator strengths below threshold and merge consistently and continuously to the above-threshold cross section. Further minor adjustments are made to the threshold energies in order to reliably align the atomic Rydberg resonances after consideration of both experimental and observed line positions. At energies far below or above the K-edge region, the formulation is based on both outer- and inner-shell direct photoionization, including significant shake-up and shake-off processes that result in photoionization-excitation and double photoionization contributions to the total cross section. The ultimate purpose for developing a definitive model for oxygen absorption is to resolve standing discrepancies between the astronomically observed and laboratory measured line positions, and between the inferred atomic and molecular oxygen abundances in the interstellar medium from XSTAR and SPEX spectral models

Out-of-Plane (\u3cem\u3ee\u3c/em\u3e,2\u3cem\u3ee\u3c/em\u3e) Measurements and Calculations on He Autoionizing Levels as a Function of Incident-Electron Energy

Out-of-scattering-plane (e,2e) measurements and calculations are reported for the three singlet helium 2ℓ2ℓ′ autoionizing levels, with 80, 100, 120, 150, and 488 eV incident-electron energies, and scattering angles 60∘, 50.8∘, 45∘, 39.2∘, and 20.5∘, respectively. The kinematics are the same in all cases: the momentum transfer is K = 2.1 a.u., and ejected electrons are detected in a plane that contains the momentum-transfer direction and is perpendicular to the scattering plane. The results are presented as (e,2e) angular distributions energy integrated over each level. They are compared with fully nonperturbative B-spline R-matrix and hybrid second-order distorted-wave + R-matrix calculations

Факторы, определяющие актуальность создания исследовательской инфраструктуры для синтеза новых материалов в рамках реализации приоритетов научно-технологического развития России

In the modern world, knowledge and high technologies determine the effectiveness of the economy, can radically improve the quality of life of people, modernize infrastructure and public administration, and ensure law and order and security. The creation of a research infrastructure based on a high-performance hybrid cluster enabled detailed calculations of complex phenomena and processes without full-scale experiments. It has become possible to most efficiently apply modern methods of multiscale computer modeling when developing prototypes of new materials with desired properties for their further synthesis. Such approaches can significantly reduce the cost and speed up the development of modern technologies for producing new semiconductor materials for nanoelectronics, composite materials for the aerospace industry and others. Thus, the use of multiscale modeling methods in combination with the use of high-performance software tools made it possible to create a computer model of a nanoscale heterostructure, develop tools for predictive computer modeling of the physical structure of nanoelectronic devices, the neuromorphic architecture of multilevel memory devices, defect formation in composite materials, and others.В современном мире знания и высокие технологии определяют эффективность экономики, позволяют кардинально повысить качество жизни людей, модернизировать инфраструктуру и государственное управление, обеспечить правопорядок и безопасность. Создание исследовательской инфраструктуры, базирующейся на высокопроизводительном гибридном кластере, позволило проводить детальные расчеты сложных явлений и процессов без натурных экспериментов. Стало возможным наиболее результативно применять современные методы многомасштабного компьютерного моделирования при разработке прототипов новых материалов с заданными свойствами для их дальнейшего синтеза. Такие подходы позволяют существенно удешевить и ускорить процессы разработки современных технологий получения новых полупроводниковых материалов для наноэлектроники, композитных материалов для авиационно-космической отрасли и других. Так использование методов многомасштабного моделирования в сочетании с применением высокопроизводительных программных средств позволило создать компьютерную модель наноразмерной гетероструктуры, разработать средства для предсказательного компьютерного моделирования физической структуры приборов наноэлектроники, нейроморфной архитектуры многоуровневых устройств памяти и изучать процессы дефектообразования в композитных материалах

Polarization correlations for electron-impact excitation of the resonant transitions of Ne and Ar at low incident energies

The electron-polarized-photon coincidence method is used to determine linear and circular polarization correlations in vacuum ultraviolet (VUV) for the differential electron-impact excitation of neon and argon resonance transitions at impact energies of 25 and 30 eV at small scattering angles up to 40. The circular polarization correlation is found to be positive in the case of Ne at 25 eV and supports the prediction of the present B-spline R-matrix theory concerning the violation of a long-established propensity rule regarding angular momentum transfer in electron-impact excitation of S→P transitions. Comparisons with the results from the present relativistic distorted-wave approximation and an earlier semirelativistic distorted-wave Born model are also made. For the case of Ar, at 25 and 30 eV, the circular polarization measurements remain in agreement with theory, but provide limited evidence as to whether or not the circular polarization at small scattering angles is also positive. For the linear polarizations, much better agreement with theory is obtained than in earlier measurements carried out by S. H. Zheng and K. Becker

Differential abundance analysis of Procyon and θ Sculptoris: Comparison with abundance patterns of solar‐like pairs

The precision differential abundance (PDA) technique is applied to the mid‐F stars Procyon and θ Scl using spectra from the ESO UVESPOP library. We relate PDA patterns to endogenous processes related to condensation or to exogenous processes connected to Galactic chemical evolution. We employ one‐dimensional LTE models, but emphasize the use of weaker lines (≤20 mÅ) that are typically used in such studies. We compare our results with PDAs of solar‐type stars. Abundances and PDAs are determined for 28 elements: C, N, O, Na, Mg, Al, Si, S, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Y, Zr, Ba, La, Ce, Nd, Sm, Eu, and Gd. A plot of PDAs (θ Scl minus Procyon) versus Z shows a highly significant correlation. Moreover, local substructure of the plot for the elements Ca‐Zn and neutron‐addition elements is similar to that which can be found for solar twins. Our PDA versus Z plot structural shows similarity to plots that can be made from the extensive work of Bedell et al. (2018). That PDA structure and substructure is clearly a function of age.Peer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/154353/1/asna202013694.pdfhttps://deepblue.lib.umich.edu/bitstream/2027.42/154353/2/asna202013694_am.pd

Dielectronic Recombination of Fe XIX Forming Fe XVIII: Laboratory Measurements and Theoretical Calculations

We have measured resonance strengths and energies for dielectronic recombination (DR) of Fe XIX forming Fe XVIII via N = 2 → N' = 2 and N = 2 → N' = 3 core excitations. All measurements were carried out using the heavy-ion Test Storage Ring at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. We have also calculated these resonance strengths and energies using two independent, state-of-the-art techniques: the perturbative multiconfiguration Breit-Pauli (MCBP) and multiconfiguration Dirac-Fock (MCDF) methods. Overall, reasonable agreement is found between our experimental results and theoretical calculations. The most notable discrepancies are for the 3l3l' resonances. The calculated MCBP and MCDF resonance strengths for the n = 3 complex lie, respectively, ≈47% and ≈31% above the measured values. These discrepancies are larger than the estimated ≲ 20% total experimental uncertainty in our measurements. We have used our measured 2 → 2 and 2 → 3 results to produce a Maxwellian-averaged rate coefficient for DR of Fe XIX. Our experimentally derived rate coefficient is estimated to be good to better than ≈20% for kBTe ≥ 1 eV. Fe XIX is predicted to form in photoionized and collisionally ionized cosmic plasmas at kBTe Gt 1 eV. Hence, our rate coefficient is suitable for use in ionization balance calculations of these plasmas. Previously published theoretical DR rate coefficients are in poor agreement with our experimental results. None of these published calculations reliably reproduce the magnitude or temperature dependence of the experimentally derived rate coefficient. Our MCBP and MCDF results agree with our experimental rate coefficient to within ≈20%