Time-local stochastic equation of motion for solid ionic electrolytes

Numerical studies of ionic motion through solid electrolytes commonly involve static nudged-elastic band methods or costly molecular dynamics. Building on a time-local model of current carrier-electrolyte interaction and incorporating thermal motion, we introduce an approach that is intermediate between the two well-established methodologies by treating the electrolyte as an effective medium that interacts with the mobile particle. Through this coupling, the thermally vibrating electrolyte imparts energy to the charge carriers while also absorbing energy from them due to its own finite elasticity. Using a simple model system, we validate our approach through a series of numerical simulations. Our methodology reproduces both dissipative and diffusive behavior and helps link microscopic system parameters to measurable macroscopic properties.

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Publication Details

Journal
Physical Review Research
Published
2025-07-14
DOI
https://doi.org/10.1103/jnzr-q953
Primary Topic
Thermodynamic properties of mixtures
Type
article
Field-Weighted Citation Impact
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article

Time-local stochastic equation of motion for solid ionic electrolytes

A. Maevskiy, Ben A. Olsen, A. Ustyuzhanin, Karl J. Friston
Physical Review Research
Thermodynamic properties of mixtures
article

Time-local stochastic equation of motion for solid ionic electrolytes

A. Maevskiy, Ben A. Olsen, A. Ustyuzhanin, Karl J. Friston
article en

Abstract

Numerical studies of ionic motion through solid electrolytes commonly involve static nudged-elastic band methods or costly molecular dynamics. Building on a time-local model of current carrier-electrolyte interaction and incorporating thermal motion, we introduce an approach that is intermediate between the two well-established methodologies by treating the electrolyte as an effective medium that interacts with the mobile particle. Through this coupling, the thermally vibrating electrolyte imparts energy to the charge carriers while also absorbing energy from them due to its own finite elasticity. Using a simple model system, we validate our approach through a series of numerical simulations. Our methodology reproduces both dissipative and diffusive behavior and helps link microscopic system parameters to measurable macroscopic properties.

Physical Review ResearchVol. 7(3)
National University of Singapore (SG), Constructor University (DE), Constructing Excellence (GB), Yale-NUS College (SG), Lewis & Clark College (US)
Openalex Percentile: Top 86%
Thermodynamic properties of mixtures
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Time-local stochastic equation of motion for solid ionic electrolytes — A. Maevskiy, Ben A. Olsen, et al. · Physical Review Research (2025) | TGRS Research Map | TGRS