|国家预印本平台
首页|Time-local stochastic equation of motion for solid ionic electrolytes

Time-local stochastic equation of motion for solid ionic electrolytes

Time-local stochastic equation of motion for solid ionic electrolytes

来源:Arxiv_logoArxiv
英文摘要

Numerical studies of ionic motion through solid electrolytes commonly involve static nudged-elastic band (NEB) methods or costly \emph{ab initio} molecular dynamics (AIMD). 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.

Aleksandr Rodin、Ben Andrew Olsen、Andrey Ustyuzhanin、Artem Maevskiy

热力工程、热机

Aleksandr Rodin,Ben Andrew Olsen,Andrey Ustyuzhanin,Artem Maevskiy.Time-local stochastic equation of motion for solid ionic electrolytes[EB/OL].(2025-04-09)[2025-04-28].https://arxiv.org/abs/2504.06595.点此复制

评论