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Add automated test for ion impact ionization #5761

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merged 6 commits into from
Mar 24, 2025

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RemiLehe
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TODO: update analysis script and recreate checksums

@EZoni
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EZoni commented Mar 12, 2025

Just a side comment, as far as creating the checksum file is concerned, I think this could be a good opportunity to verify that the steps in our how-to documentation (https://warpx.readthedocs.io/en/latest/developers/how_to_test.html#how-to-add-automated-tests) work properly, in particular step 7. below (I'm not sure if developers actually do this, instead of copying existing checksums and then overwriting them):

Screenshot from 2025-03-12 10-04-18

@roelof-groenewald roelof-groenewald marked this pull request as ready for review March 13, 2025 05:40
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@EZoni I was able to reset the benchmarks using the instructions you linked 🎉 .
I guess we'll see if the checksum values from my local system matches what the Azure systems get.

@RemiLehe I modified the scattering logic to avoid the nan values from before (at least for the test you created). Could you please check if the update works for your actual use case?

Btw, I checked that the electron impact ionization test still match theory (as close as it did before), and it looks good:
ionization_dsmc_density_Te

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TODO: update analysis script and recreate checksums

@RemiLehe are you planning on updating the analysis script to get the theoretical ion impact ionization rate and the effect on the ion temperature?

@roelof-groenewald roelof-groenewald added bug Something isn't working component: collisions Anything related to particle collisions labels Mar 13, 2025
@@ -21,7 +22,7 @@ warpx.const_dt = 1e-09
geometry.dims = 3
geometry.prob_hi = 0.1 0.1 0.1
geometry.prob_lo = 0 0 0
amr.max_grid_size = 8
amr.max_grid_size = 4
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I noticed the test runs on 2 procs but with max_grid_size=8 there was only 1 tile, so parallel execution was not really tested.

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The DSMC ionization tests require BLAST-WarpX/warpx-data#6 to be merged to add the necessary cross-section files.

Now using the hydrogen cross-sections and having turned off the field solver in the test, we get pretty close match to the theoretical model:
image

@RemiLehe RemiLehe closed this Mar 19, 2025
@RemiLehe RemiLehe reopened this Mar 19, 2025
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Relaunching the CI tests, now that BLAST-WarpX/warpx-data#6 is merged.

@roelof-groenewald roelof-groenewald changed the title [WIP] Add automated test for ion impact ionization Add automated test for ion impact ionization Mar 20, 2025
3 # dims
2 # nprocs
inputs_test_3d_ionization_ion_dsmc # inputs
OFF # "analysis_ionization_dsmc_3d.py" # analysis
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Could we turn the automated test on here?

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@roelof-groenewald roelof-groenewald Mar 20, 2025

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The analysis would have to be modified substantially. The current test implicitly assumes that the neutral is much heavier than the impacting particle - a good assumption for electron impact but not for ion impact. So I'd say we should merge this as is and then possibly add a similar but modified analysis for the ion-impact case in a future PR.

@RemiLehe RemiLehe merged commit 1b1e6ce into BLAST-WarpX:development Mar 24, 2025
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3 participants