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add temperature dependence to MSMR model #3832

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merged 44 commits into from May 16, 2024
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Description

The FR/T term now uses the appropriate local temperature. Individual parameters (x_j, U0_j, w_j, alpha_j) can also depend on temperature, but this isn't tested. Plett Volume 3 claims that those parameters should not change much as a function of temperature.

Type of change

Please add a line in the relevant section of CHANGELOG.md to document the change (include PR #) - note reverse order of PR #s. If necessary, also add to the list of breaking changes.

  • New feature (non-breaking change which adds functionality)
  • Optimization (back-end change that speeds up the code)
  • Bug fix (non-breaking change which fixes an issue)

Key checklist:

  • No style issues: $ pre-commit run (or $ nox -s pre-commit) (see CONTRIBUTING.md for how to set this up to run automatically when committing locally, in just two lines of code)
  • All tests pass: $ python run-tests.py --all (or $ nox -s tests)
  • The documentation builds: $ python run-tests.py --doctest (or $ nox -s doctests)

You can run integration tests, unit tests, and doctests together at once, using $ python run-tests.py --quick (or $ nox -s quick).

Further checks:

  • Code is commented, particularly in hard-to-understand areas
  • Tests added that prove fix is effective or that feature works

brosaplanella and others added 30 commits February 28, 2023 20:17
…-support

Drop support for i686 manylinux
Improve release workflow, add a note, bump version manually
Build wheels on the 1st and 15th of every month
make initial soc work with half cell models
JaxSolver fails when using GPU support with no input parameters
Resolve default imports for optional dependencies
* Ensure correct Python versions for Jax solver compatibility

* Simplify array of Python versions

Co-authored-by: Eric G. Kratz <kratman@users.noreply.github.com>

* Use different conjunction

Co-authored-by: Eric G. Kratz <kratman@users.noreply.github.com>

---------

Co-authored-by: Eric G. Kratz <kratman@users.noreply.github.com>
Make `pybamm_install_odes` a bit more robust
* #3690 fix issue with skipped steps

* #3690 changelog

* #3690 add test
* #3611 use actual cell volume for average total heating

* #3611 changelog

* #3611 account for number of electrode pairs

* #3611 update variable names
* Try fixing the release workflow

* Turn off safety

* Fix CHANGELOG

* Add OS

* Use regex for better matches

* Update instructions, add safety checks

* checkout to the version branch for the final release
* #3630 fix interpolant shape error

* #3630 changelog
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codecov bot commented Feb 22, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 99.54%. Comparing base (afbf21d) to head (81dc161).

Additional details and impacted files
@@             Coverage Diff             @@
##           develop    #3832      +/-   ##
===========================================
- Coverage    99.59%   99.54%   -0.05%     
===========================================
  Files          287      287              
  Lines        21723    21744      +21     
===========================================
+ Hits         21635    21646      +11     
- Misses          88       98      +10     

☔ View full report in Codecov by Sentry.
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Thanks, looks good, just a couple of things to tidy up.

We should make it clear in the docs/example how dUdT is used in the MSMR model. In the "standard" model U(x,T) = U_ref(x) + (T-T_ref)*dUdT whereas here U(x,T) is solved for explicitly, and dUdT is just used to calculate the reversible heat term.

CHANGELOG.md Show resolved Hide resolved
pybamm/models/submodels/particle/msmr_diffusion.py Outdated Show resolved Hide resolved
@valentinsulzer
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Where would you clarify the dU/dT thing in the docs?

@rtimms
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rtimms commented Feb 26, 2024

Where would you clarify the dU/dT thing in the docs?

I think there are 3 places where it is relevant: the definition of U in LithiumIonParameters, the definition of dUdT in LithiumIonParameters and in the submodel for MSMR where you solve for U. Probably makes most sense to put in dUdT and then crossref?

@brosaplanella
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Happy to merge this one once the conflicts are resolved. There are also some coverage issues, but the detailed report does not load, so it might be a Codecov artifact.

@rtimms rtimms merged commit 33d9ea7 into develop May 16, 2024
41 of 42 checks passed
@rtimms rtimms deleted the msmr-temperature-dependence branch May 16, 2024 14:18
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6 participants