One of the notable patterns emerging from our stitched seam analysis
is the apparent path dependence of microscopic spin
configurations at equivalent macroscopic lithium fractions.
Across multiple independently generated seams, we observe both:
-
Convergent microstates — identical or
near-identical spin configurations (as measured by bitstring
patterns, magnetization components, coherence proxy, and ordering
strength) appearing in seams of both lithiation and delithiation
direction.
-
Divergent microstates — distinct configurations
reachable only through specific charge histories or directions.
These observations are consistent with theoretical expectations of
history-dependent behavior in strongly correlated systems. However,
at this stage we present them as a
possible finding rather than a definitive
conclusion.
Our validation has been limited to confirming that the generated
microstates remain within the physically plausible domain of the
underlying Hamiltonian and align with expected regimes (e.g.,
high-SOC, mid-SOC, and deep delithiation) according to established
classification criteria used in the main results dashboard.
Detailed definitions of the key observables are documented at
iqintel.io/#observables.
Data Availability & Invitation for Further Research
The complete seam datasets, master seams, and raw state files are
made openly available in the repository. We encourage researchers
and engineers in battery materials, quantum simulation,
statistical mechanics, and related fields to examine these
trajectories.
In particular, we welcome further analysis that could:
- Quantify the extent of path dependence and hysteresis
-
Test for ergodicity breaking or multiple metastable manifolds
-
Explore implications for voltage hysteresis and kinetic
limitations in NMC811-IQ and related cathodes
-
Develop improved reduced-order models that incorporate path
memory
Any confirmation, extension, or alternative interpretation of
these observations would be of significant interest to the
community.