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PreprintCC BY 4.0arXiv

Phase-Field Simulation of Dendrite Evolution in All-Solid-State Sodium Batteries during Cycling

Abstract

Dendrite growth during cycling remains a critical challenge for all-solid-state batteries (SSBs), limiting the full realization of their inherent safety and high energy density. In particular, the mechanisms of continuous dendrite penetration during charge-discharge cycling remain poorly understood and are difficult to characterize experimentally. This study applies a phase-field model, informed by density functional theory calculations, to rationalize and visualize the dendrite penetration behaviors during cycling in sodium (Na) SSBs with pure Na or Na-Sb alloy anodes and polycrystalline Na3SbS4 electrolyte. We show that dendrite stripping is intrinsically asymmetric with respect to plating due to grain boundary geometry, leading to the formation of isolated Na metal that persists between cycles. This residual Na metal becomes kinetically stabilized at grain-boundary junctions and is readily reactivated during subsequent plating, thereby accelerating and amplifying dendrite penetration. We further investigate the effects of applied voltage, solid-electrolyte microstructure, and anode chemistry on this phenomenon. These findings establish isolated Na metal as a key contributor for continued dendrite propagation in Na SSBs and provide design principles for stabilizing anode/electrolyte interfaces in Na SSBs.

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BibTeX
@misc{wu2026phasefield,
  title = {{Phase-Field Simulation of Dendrite Evolution in All-Solid-State Sodium Batteries during Cycling}},
  author = {Chengyin Wu and Wolfgang Windl and Jung-Hyun Kim and Yanzhou Ji},
  howpublished = {arXiv},
  year = {2026},
  month = aug,
  doi = {10.48550/arxiv.2607.15387},
  eprint = {2607.15387},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2607.15387},
  note = {CC BY 4.0},
}
RIS
TY  - UNPB
TI  - Phase-Field Simulation of Dendrite Evolution in All-Solid-State Sodium Batteries during Cycling
AU  - Chengyin Wu
AU  - Wolfgang Windl
AU  - Jung-Hyun Kim
AU  - Yanzhou Ji
PY  - 2026
DA  - 2026/08/19
PB  - arXiv
DO  - 10.48550/arxiv.2607.15387
UR  - https://arxiv.org/abs/2607.15387
AB  - Dendrite growth during cycling remains a critical challenge for all-solid-state batteries (SSBs), limiting the full realization of their inherent safety and high energy density. In particular, the mechanisms of continuous dendrite penetration during charge-discharge cycling remain poorly understood and are difficult to characterize experimentally. This study applies a phase-field model, informed by density functional theory calculations, to rationalize and visualize the dendrite penetration behaviors during cycling in sodium (Na) SSBs with pure Na or Na-Sb alloy anodes and polycrystalline Na_3SbS_4 electrolyte. We show that dendrite stripping is intrinsically asymmetric with respect to plating due to grain boundary geometry, leading to the formation of isolated Na metal that persists between cycles. This residual Na metal becomes kinetically stabilized at grain-boundary junctions and is readily reactivated during subsequent plating, thereby accelerating and amplifying dendrite penetration. We further investigate the effects of applied voltage, solid-electrolyte microstructure, and anode chemistry on this phenomenon. These findings establish isolated Na metal as a key contributor for continued dendrite propagation in Na SSBs and provide design principles for stabilizing anode/electrolyte interfaces in Na SSBs.
ER  -