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New "coupled ion-electron transfer" option for "intercalation kinetics" (Fraggedakis et al. 2021), using the Zeng 2014 asymptotic Marcus-Hush-Chidsey integral on the formal overpotential. Parameters are the existing reorganization energy and a new temperature-dependent rate constant per electrode. Lithium metal plating falls back to Marcus-Hush-Chidsey. The concentration lookup in BaseInterface moves into a helper so the new submodel can reuse it. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
# Conflicts: # CHANGELOG.md
The rate-law test now compares the submodel with a numerical Marcus-Hush-Chidsey integral instead of a copy of the same formula. CIET no longer cites Sripad 2020 except for the plating fallback, and raises an OptionError with "exchange-current density": "current sigmoid", which it would otherwise ignore. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #5993 +/- ##
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Coverage 98.23% 98.24%
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Files 350 351 +1
Lines 36104 36169 +65
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+ Hits 35468 35533 +65
Misses 636 636 ☔ View full report in Codecov by Harness. 🚀 New features to boost your workflow:
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CodeQL flagged CoupledIonElectronTransfer for skipping MarcusHushChidsey.__init__. It now subclasses BaseKinetics and calls MarcusHushChidsey._get_kinetics only for the lithium-plating fallback. A unit test covers broadcasting x-averaged concentrations onto the electrode domain, the one line Codecov reported as uncovered. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
CIET used to fall back silently to Marcus-Hush-Chidsey for the lithium
metal electrode of a half-cell. It now raises an OptionError that points
to setting the kinetics per electrode, e.g.
("Marcus-Hush-Chidsey", "coupled ion-electron transfer").
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
aabills
marked this pull request as ready for review
October 28, 2026 21:03
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Bencher Report| Project | PyBaMM |
| Branch | CIET |
| Testbed | bare-metal |
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Description
Adds
"coupled ion-electron transfer"(CIET) as an"intercalation kinetics"option, following Fraggedakis et al. (2021). The Marcus-Hush-Chidsey rate is evaluated with the Zeng et al. (2014) asymptotic integral on the formal overpotential, so the current saturates at large overpotential instead of growing exponentially as with Butler-Volmer."... electrode reorganization energy [eV]"and a new temperature-dependent"... electrode coupled ion-electron transfer rate constant [A.m-2]"per electrode.OptionErrorthat suggests setting kinetics per electrode, e.g.("Marcus-Hush-Chidsey", "coupled ion-electron transfer"). Combining CIET with"exchange-current density": "current sigmoid"raises anOptionError, since CIET does not use the exchange-current density parameter.BaseInterfacemoves into a helper so the new submodel can reuse it; behaviour of the existing kinetics is unchanged.Type of change
Feature, with a CHANGELOG entry under
## Features.Important checks:
test_coupled_ion_electron_transfer.pycheck zero current at equilibrium, the saturation plateau, the linear-response exchange current, and agreement with a numerical Marcus-Hush-Chidsey integral (the Zeng form is within 5% at the tested reorganization energy).nox -s pre-commitandnox -s type-checkpass locally.🤖 Generated with Claude Code