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Update LMeX for use with many-to-one spray capability#593

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baperry2 merged 37 commits intoAMReX-Combustion:developmentfrom
d-montgomery:many-to-one-lmex
Feb 18, 2026
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Update LMeX for use with many-to-one spray capability#593
baperry2 merged 37 commits intoAMReX-Combustion:developmentfrom
d-montgomery:many-to-one-lmex

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@d-montgomery d-montgomery commented Nov 20, 2025

This PR includes the changes necessary for the new many-to-one spray capability to work in PeleLMeX (see PelePhysics #633. A few comments:

  • The many-to-one spray capability has been tested with the SingleDropEvap test case with the PeleMP and GCM models
  • The SingleDropEvap test cases have been updated to work with the many-to-one capability, and includes a test for JP8 where there are 67 liquid species depositing to the HyChem POSF10268 gas-phase species. The results agree well with a detailed 67 species mechanism for POSF10268 as shown in PelePhysics #633.
  • Many-to-one with Manifold has been enabled and validated.

To do:

  • Point PelePhysics submodule to merged many-to-one commit

@d-montgomery d-montgomery marked this pull request as ready for review February 16, 2026 23:15
@baperry2 baperry2 requested a review from Copilot February 18, 2026 00:27
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Pull request overview

This PR enables many-to-one spray capability in PeleLMeX, allowing multiple liquid species to deposit into a single or fewer gas-phase species. The implementation includes updates to spray source computation, test case configurations for JP8 fuel validation with 67 liquid species depositing to HyChem POSF10268 gas-phase species, and comprehensive validation through the SingleDropEvap test cases with both PeleMP and GCM models.

Changes:

  • Updated spray source indexing to dynamically compute energy source index based on the number of pseudo-components
  • Added new test cases and input files for JP8 fuel with many-to-one capability
  • Enhanced Python validation and plotting scripts to support multiple fuel decomposition strategies

Reviewed changes

Copilot reviewed 19 out of 19 changed files in this pull request and generated no comments.

Show a summary per file
File Description
Submodules/PelePhysics Updated submodule to commit supporting many-to-one spray capability
Source/PeleLMeX_SprayParticles.cpp Removed hard-coded spray fuel number constraints and updated source index computation
Exec/RegTests/SingleDropEvap/sprayPropsMP_mixture_jp8.inp Added MP properties for single-component POSF10264 representation
Exec/RegTests/SingleDropEvap/sprayPropsMP_jp8.inp Added MP properties for 67-component JP8 decomposition
Exec/RegTests/SingleDropEvap/sprayPropsMP_heptane-decane.inp Added MP properties for heptane-decane mixture
Exec/RegTests/SingleDropEvap/sprayPropsGCM_mixture_jp8.inp Updated GCM properties with new FuelLib commit
Exec/RegTests/SingleDropEvap/sprayPropsGCM_jp8.inp Added GCM properties for 67-component JP8 decomposition
Exec/RegTests/SingleDropEvap/sprayPropsGCM_heptane-decane.inp Updated initial mass fractions for consistency
Exec/RegTests/SingleDropEvap/single-drop-evap-mp.inp Removed redundant input file (consolidated into single-drop-evap.inp)
Exec/RegTests/SingleDropEvap/single-drop-evap-mp-manifold.inp Refactored to use external spray properties file
Exec/RegTests/SingleDropEvap/single-drop-evap-gcm.inp Updated to reference correct spray properties file
Exec/RegTests/SingleDropEvap/pelelmex_prob.cpp Added IO processor check to prevent parallel file write conflicts
Exec/RegTests/SingleDropEvap/Validate.py Enhanced to support JP8 variants and additional runtime configuration
Exec/RegTests/SingleDropEvap/SprayParticlesInitInsert.cpp Added debug output for liquid mass fractions
Exec/RegTests/SingleDropEvap/README.md Updated documentation for consolidated input file structure
Exec/RegTests/SingleDropEvap/ExtractData.py Added support for separate reference name lookup
Exec/RegTests/SingleDropEvap/CompareResults.py Enhanced plotting for JP8 case variants with improved legend placement
Exec/RegTests/SingleDropEvap/CaseInfo.py Refactored to support many-to-one deposition and JP8 case variants
.github/workflows/linux.yml Added CI test for RungeJP8 GCM many-to-one case
Comments suppressed due to low confidence (1)

Exec/RegTests/SingleDropEvap/Validate.py:1

  • The generation date 2025-12-15 is in the future. Ensure this date reflects when the file was actually generated or update it to the current date.
import os

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@baperry2 baperry2 enabled auto-merge (squash) February 18, 2026 07:03
@baperry2 baperry2 merged commit 0396cd8 into AMReX-Combustion:development Feb 18, 2026
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3 participants