Research Digest — 2026-07-21¶
Phase Field / Dendrites¶
1. Phase-Field Simulation of Dendrite Evolution in All-Solid-State Sodium Batteries during Cycling¶
Source: arXiv (2607.15387) · 📅 2026-07-16 · ↗ Open paper
Applies a DFT-informed phase-field model to investigate dendrite penetration behaviors during charge-discharge cycling in sodium all-solid-state batteries with Na₃SbS₄ electrolyte. Shows that dendrite stripping is intrinsically asymmetric with respect to plating due to grain boundary geometry, leading to isolated Na metal that persists between cycles and becomes kinetically stabilized at grain-boundary junctions. This residual Na is readily reactivated during subsequent plating, accelerating dendrite propagation across cycles.
Relevance to DENG.Group
Directly relevant to Shoutong Jin's phase field simulation of dendrite growth. The cycling-dependent dendrite accumulation mechanism and the role of grain-boundary geometry in asymmetric plating/stripping provide important design principles that could inform Shoutong's multiphysics models. The Na₃SbS₄ system also offers a complementary chemistry to expand beyond Li-based dendrite studies.
Grain Boundaries & Interfaces¶
2. Universal Machine Learning Interatomic Potentials are Ready for Solid Ion Conductors¶
Source: arXiv (2502.09970) · 📅 2025-02-14 · ↗ Open paper
Systematically benchmarks six universal MLIPs (MatterSim, MACE, SevenNet, CHGNet, M3GNet, ORBFF) for solid-state electrolyte applications, evaluating energy, forces, thermodynamic properties, elastic moduli, and Li-ion diffusion. MatterSim achieves the best overall performance with excellent agreement to DFT reference values for Li-ion diffusivity in Li₃YCl₆ and Li₆PS₅Cl. The study reveals how crystal structure, anion disorder, and Na/Li arrangements influence ionic conductivity predictions.
Relevance to DENG.Group
Important benchmarking study for Yanhao Deng's ML potential work. The evaluation of multiple foundation models (including MACE, which the group uses) on halide and sulfide electrolyte systems provides quantitative guidance for model selection. The Li₃YCl₆ results are directly relevant to the group's halide electrolyte simulations, and the anion disorder findings connect to Mengke Li's ion transport studies.