LXCat and Beyond: Fostering Reproducibility in Plasma Science
ORAL · Invited
Abstract
In a previous contribution to this conference [1], the authors have presented progress on the development of LXCat3, the successor of the LXCat website [2,3], which serves data on (mostly) electronic processes to the low-temperature plasma physics community. LXCat3 features a modernized software stack, and more importantly: it serves the data in the form of structured (JSON) files that are backed by 'schema' that defines the underlying data model. LXCat3 relieves consumers of the data from the task of writing custom parsers for the data files, it eliminates ambiguities in the legacy LXCat file format, and makes it easier to properly cite the original data sources. LXCat3 supports both state-to-state types of data as well as well as the 'complete cross section sets' that are omnipresent in gas discharge physics. The importance of a service like LXCat is demonstrated by the numbers of visitors (in the order of 60 000 per year). At the moment of writing, the process of converting LXCat2 data to the LXCat3 format is nearing completion, the progress can be tracked on [4].
But although the electron data are an essential ingredient in any study of a plasma or gas discharge, they are only part of the story. Reactions that involve only heavy particles are equally important in many plasma applications, and for that reason we have initiated the ChemCat project. This builds on the ideas and infrastructure that have been developed for LXCat3, and like LXCat3, it supports state-to-state data as well as reaction mechanisms, along with transport coefficients and the other quantities that define the data half of a plasma model.
In this contribution, we will give an update about LXCat3, then present a prototype of ChemCat. A comparison with other data representations, such as the Chemkin format [5], will be made and demonstrations of the platform in combination with PLASIMO [6] and other software will be given. Like LXCat3, ChemCat is a community-driven open source project [7] that will profit from your feedback and other contributions.
[1] https://www.apsgec.org/gec2024/workshops.php
[2] Carbone, E. et al. (2021). Atoms, 9(1), 16. 10.3390/atoms9010016
[3] https://lxcat.net/
[4] https://demo.lxcat.net/
[5] R.J. Kee et al., Sandia Report SAND89-8009.UC-401, September 1989
[6] https://plasma-matters.nl/
[7] https://github.com/LXCat-project
But although the electron data are an essential ingredient in any study of a plasma or gas discharge, they are only part of the story. Reactions that involve only heavy particles are equally important in many plasma applications, and for that reason we have initiated the ChemCat project. This builds on the ideas and infrastructure that have been developed for LXCat3, and like LXCat3, it supports state-to-state data as well as reaction mechanisms, along with transport coefficients and the other quantities that define the data half of a plasma model.
In this contribution, we will give an update about LXCat3, then present a prototype of ChemCat. A comparison with other data representations, such as the Chemkin format [5], will be made and demonstrations of the platform in combination with PLASIMO [6] and other software will be given. Like LXCat3, ChemCat is a community-driven open source project [7] that will profit from your feedback and other contributions.
[1] https://www.apsgec.org/gec2024/workshops.php
[2] Carbone, E. et al. (2021). Atoms, 9(1), 16. 10.3390/atoms9010016
[3] https://lxcat.net/
[4] https://demo.lxcat.net/
[5] R.J. Kee et al., Sandia Report SAND89-8009.UC-401, September 1989
[6] https://plasma-matters.nl/
[7] https://github.com/LXCat-project
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Presenters
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Jan van Dijk
Eindhoven University of Technology, The Netherlands
Authors
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Jan van Dijk
Eindhoven University of Technology, The Netherlands
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Daan J Boer
Eindhoven University of Technology, The Netherlands