Application of molecular convergent close-coupling cross sections in a collisional radiative model for the triplet system of molecular hydrogen

Wünderlich, Dirk; Scarlett, Liam H.; Briefi, S.; Fantz, U.; Zammit, Mark Christian; Fursa, D. V.; Bray, I.

doi:10.1088/1361-6463/abccf2

Application of molecular convergent close-coupling cross sections in a collisional radiative model for the triplet system of molecular hydrogen

Journal Article · Fri Jan 08 00:00:00 EST 2021 · Journal of Physics. D, Applied Physics

DOI:https://doi.org/10.1088/1361-6463/abccf2· OSTI ID:1787294

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Max-Planck-Inst. für Plasmaphysik, Garching (Germany)
Curtin Univ., Western Australia (Australia)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Collisional radiative (CR) models for molecular hydrogen are of high relevance for performing qualitative and quantitative analysis of excited-state population densities measured in plasmas or predicting the dependence of plasma emission on parameter variations. Although the development of such models for H₂ started decades ago, major uncertainties still exist regarding the most important set of input parameters, namely the cross sections for electron-impact excitation. The deviations between cross sections from different datasets are particularly pronounced in the energy region close to the threshold energy, strongly increasing the uncertainty of CR models applied to low-temperature plasmas. This paper presents experimental validation of a set of newly calculated non ro-vibrationally resolved electron-impact cross sections calculated for the triplet system of H₂ using the molecular convergent close-coupling method in the adiabatic-nuclei formulation. These cross sections are implemented into a CR model based on the flexible solver Yacora. A first comparison of CR calculations with the different datasets to experimentally-determined population densities is performed at a planar ICP discharge for varying pressure (between 1 and 10 Pa) and RF power (between 700 and 1100 W). For the experimentally-accessible electron temperature and density range (2.5–10 eV and 1.8–3.3 × 10¹⁶ m^–3, respectively), very good agreement between the model and experiment is obtained using the new data set, in contrast to previously used cross sections.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: LDRD

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 1787294

Alternate ID(s):: OSTI ID: 23135494

Report Number(s):: LA-UR--20-27482

Journal Information:: Journal of Physics. D, Applied Physics, Journal Name: Journal of Physics. D, Applied Physics Journal Issue: 11 Vol. 54; ISSN 0022-3727

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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