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Add optional emission opacity array for eventual coronal emissivity #1

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Add optional emission opacity array for eventual coronal emissivity #1

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@RyanWollaeger RyanWollaeger commented May 23, 2024 •
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Background

  • One goal of SuperNu 4.x is to use coronal emissivity data tabulated from the LANL suite of relativistic atomic physics codes.
  • This will require storing emissivity or emission opacity separately from absorption opacity, breaking the usual LTE assumption.

Changes

  • Add in_doemiss input to switch to using separate emissivity data.
  • Parse optional emissivity tables as subsets of element-density point space.
  • Generate maps of element-density subset to full element-density absorption set.
  • Add gas_em_cap and grd_em_cap array (de)allocations.
  • Add MPI commands for tabular, gas, and grid-based emission opacity data and index maps.
  • Add emissivity table interpolation in GAS/tabular_opacity.f.
  • Incorporate grey emission opacity in Fleck factor calculation, temperature update, and setting particle weights.
  • Set pointers to either absorption or emission opacity for use in particle sourcing and effective scattering.

Merge Requirements

  • Review by a 4.x developer.
  • No 'Draft:' prefix on PR title.
  • Verify compilation.
  • Verify result of a basic test (if applicable, depending on changeset).

@RyanWollaeger RyanWollaeger added the enhancement New feature or request label May 23, 2024
@RyanWollaeger RyanWollaeger requested a review from korobkin May 23, 2024 23:12
@RyanWollaeger RyanWollaeger self-assigned this May 23, 2024
@RyanWollaeger RyanWollaeger marked this pull request as draft September 17, 2024 00:42
@RyanWollaeger RyanWollaeger changed the title Draft: Add optional emission opacity array for eventual coronal emissivity Add optional emission opacity array for eventual coronal emissivity Sep 17, 2024
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RyanWollaeger commented Sep 17, 2024

Going to hopefully get this ready for review soon. (Merely switched to git's draft decorator rather than prefixing the title for this PR, so no real changes just now.)

@RyanWollaeger
Prepare for optional use of emissivity (opacity) opacity.
04c6eb6 
+ Add in_doemiss input to switch to using separate emissivity data.
+ Prevent in_doemiss=true when tabular opacity data is not used.
+ Add gas_em_cap and grd_em_cap array (de)allocations.
+ Add MPI gatherv for gas_em_cap and grd_em_cap.
+ Reset gas_em_cap in GAS/gas_update.
+ Throw stop assertion (for now) for emissivity interpolation.
@RyanWollaeger
Add gas_em_cap->grd_em_cap mapping to mpimpd_ser.f trivial bcast.
0b7ae1c
@RyanWollaeger
Fix copy-past error of Planck opacity integral.
762f030
@RyanWollaeger
Prepare proto-type tabular emission opacity parser in tbxsmod.
0378619 
+ Format similar to tabular absorption opacity (but no scattering).
+ Add tb_nelem_em: size(subset of elements with emission opacity).
+ Add tb_em_raw: array to parse subset of emission opacity tables.
+ Add tb_em_cap: coarsened multgroup emission opacity array.
+ Add tb_em_ielem: subset of parsed elements with emission tables.
+ Add lemiss logical argument to read_tbxs and coarsen_tbxs.
+ Parse emission opacity table optionally (lemiss).
+ Toggle emissivity contributions as done for absorption opacity.
+ Add optional (de)allocation for new tbxsmod arrays.
+ Assume single density value for emission opacity (for now).
+ Assume electron temperatures to be the same as for absorption.

Note: TODOs have been added. For example, Planck function needs to
to be evaluated for final emission opacity evaluation (tb_em_cap).
@RyanWollaeger
Update tabular emission parsing and interpolation.
05f79d7 
+ Change emission element subset to tabular element mask, per rho.
+ Require emission table temperatures to equal those of the
  equivalent absorption table.
@RyanWollaeger
Get parsing of initial emission table working (fix errors).
26d9983 
+ Add emission density and element maps to absorption indices.
+ Add element-density mask to avoid parsing missing emission files.
+ Make emission routines loop over density index.
+ Fix emission opacity file name character length.
+ Make both tb_raw and tb_em_raw double-precision.
+ Add temp_em to read_tbxs stack, to verify emission temperatures.
+ Fix sum increment of tb_em_cap in wavelength coarsening.
+ Add 1 cell problem input with in_doemiss=t to Input directory.
+ Add TODO for MPI broadcasting tabular emission data.

Note: tabular_opacity.f was updated in this commit to toggle
between emission and absorption opacity when constructing per-cell
emission opacity, based on data availability, but it is incomplete
and incorrect as of this changeset.
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RyanWollaeger commented Oct 18, 2024

The emission parser is still being tested on a one cell problem. It is working with a preliminary emission file, but at the moment the per-cell data is not getting constructed properly.

@RyanWollaeger
Merge branch 'main' of github.com:lanl/SuperNu into emiss_arr
d188e4b
@RyanWollaeger
Make temporary testing changes.
61d46ee 
+ Comment out per-(bb,bf,ff) emissivity.
+ Attempt coarsening test of total emission opacity.
+ Fix density array emissivity sub-index access in coarsening.
@RyanWollaeger
Merge branch 'main' of github.com:lanl/SuperNu into emiss_arr
7158812
@RyanWollaeger
Use emission opacity in particle source+advance (very preliminary).
a299fdd 
+ Use emission opacity in Fleck factor.
+ Toggle pointers with in_doemiss to emission or absorption arrays.
+ Use emission opacity pointers in source and effective scattering.
+ Fix density indexing for emissivity table interpolation.
+ Remove old printout and testing stops.
@RyanWollaeger
Add MPI broadcasts for tb_em_cap and helper arrays.
d9ec0c4
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RyanWollaeger commented Feb 10, 2025 •
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Here is the SANd model, comparing with and without using emission opacity tables, where the emission opacity table is also the LTE value, hence the results should look the same. Here are plots of bolometric luminosity and spectra, without this changeset (blue) and with this changeset with in_doemiss=t (orange dashed):
Screen Shot 2025-02-10 at 12 11 04 PM
Screen Shot 2025-02-10 at 12 12 05 PM

@RyanWollaeger RyanWollaeger marked this pull request as ready for review February 21, 2025 22:27
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