Electron Energy Deposition in Molecular Hydrogen : A Simulation Using Molecular Convergent Close Coupling Cross Sections

ORAL

Abstract

We report on the development of a Monte-Carlo simulation of electron energy deposition in a gas of molecular hydrogen. The simulation was produced to use a self-consistent data set generated using a single theoretical method, making use of accurate Molecular Convergent Close Coupling (MCCC) cross sections. The work also demonstrates the viability of a new method for modelling excitations to target continuum states as part of energy deposition simulations. The simulation was benchmarked in an ab-initio calculation of the mean energy per ion pair, yielding excellent agreement with experiment and previous theoretical work. Finally, the simulation was used to examine molecular dissociation effects in the energy deposition process, with the new method being used to produce a model fully resolved in both the bound and dissociative vibrational states of the hydrogen molecule.

*This work was supported by the United States Air Force Office of Scientific Research, Los Alamos National Laboratory (LANL), Curtin University, and resources provided by the Pawsey Supercomputing Centre, with funding from the Australian Government and Government of Western Australia. LHS acknowledges the contribution of an Australian Government Research Training Program Scholarship, and the support of the Forrest Research Foundation. MCZ would like to specifically acknowledge the support of the Los Alamos National Laboratory (LANL) Laboratory Directed Research and Development program Project No. 20200356ER. LANL is operated by Triad National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. 89233218NCA000001.

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Publication: Reese K Horton et al 2021 Plasma Sources Sci. Technol. 30 115004
Planned Paper: "Electron Impact Dissociation of Molecular Hydrogen gas: Effects of Molecular Structure Models on Energy Deposition Parameters" (Working Title)

Presenters

  • Reese K Horton

    • Curtin University of Technology

Authors

  • Reese K Horton

    • Curtin University of Technology

  • Liam H Scarlett

    • Curtin Univ of Technology

  • Mark C Zammit

    • LANL
    • Los Alamos National Laboratory

  • Igor Bray

    • Curtin Univ of Technology

  • Dmitry V Fursa

    • Curtin University
    • Curtin Univ of Technology