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| Format: | Recurso digital |
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Zenodo
2026
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| Online Access: | https://doi.org/10.5281/zenodo.20279432 |
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Table of Contents:
- <div> <div><span># Phonon-mediated ionic localization and electro–thermal instability in halide solid electrolytes</span></div> <br> <div><span>This repository contains the simulation and parameter-extraction code that</span></div> <div><span>reproduces the computational results reported in:</span></div> <br> <div><span>></span><span> D. Lee and J. Seo, *Phonon-Mediated Ionic Localization and a Power-Law</span></div> <div><span>></span><span> Onset of Electro–Thermal Instability in Halide Solid Electrolytes*,</span></div> <div><span>></span><span> submitted to </span><span>*Journal of Materials Chemistry A*</span><span> (2026).</span></div> <br> <div><span>Department of Physics and Engineering Physics, Yonsei University,</span></div> <div><span>MIRAE Campus, Wonju, Republic of Korea.</span></div> <br> <div><span>The code is released so that every quantitative claim in the manuscript and</span></div> <div><span>the Electronic Supplementary Information (ESI) can be independently</span></div> <div><span>reproduced. It is deliberately minimal and dependency-light (only NumPy and</span></div> <div><span>SciPy).</span></div> <br> <div><span>---</span></div> <br> <div><span>## Contents</span></div> <br> <div><span>| File | Purpose | Reproduces |</span></div> <div><span>|------|---------|------------|</span></div> <div><span>| </span><span>`sim3d.py`</span><span> | 3D simple-cubic disordered ionic network with a coupled steady-state heat-diffusion runaway criterion (no fixed dissipation threshold). Computes the 3D finite-size scaling of the filament order parameter Φ and the 3D critical-current curve. | Main-text 3D results; ESI Section S5; </span><span>`fss3d.json`</span><span>, </span><span>`scaling3d.json`</span><span> |</span></div> <div><span>| </span><span>`compare2d3d.py`</span><span> | Runs the identical pipeline in 2D and in 3D and quantifies how the fitted power-law exponent depends on the independently chosen runaway-asymptote disorder σ_c^RA. | Main-text 2D-vs-3D comparison; ESI Section S2; </span><span>`compare_2d_3d.json`</span><span> |</span></div> <div><span>| </span><span>`param_protocol.py`</span><span> | Single-anchor material-parameter protocol: one conversion constant is fixed once from the documented Li₃YCl₆ boson peak, and every other Debye temperature is propagated by the Debye relation using tabulated masses and published thermal-conductivity data. No per-material parameter is fitted. | ESI Sections S3.1 and S4; the Θ_D and T</span><span>\*</span><span> tables |</span></div> </div>