Method for predicting lithium ion diffusivity
The method addresses inefficiencies in existing lithium ion diffusivity prediction by using temperature-dependent molecular dynamics to quickly identify suitable electrode materials for lithium-ion batteries.
JP2026121089APending Publication Date: 2026-07-23TOYOTA JIDOSHA KK +1
View PDF 1 Cites 0 Cited by
Patent Information
- Authority / Receiving Office
- JP · JP
- Patent Type
- Applications
- Current Assignee / Owner
- TOYOTA JIDOSHA KK
- Filing Date
- 2025-01-10
- Publication Date
- 2026-07-23
AI Technical Summary
Technical Problem
Existing methods for predicting lithium ion diffusivity in lithium-ion secondary batteries either neglect ion interactions or require lengthy simulations due to multiple temperature calculations, failing to account for temperature effects efficiently.
Method used
A method involving molecular dynamics calculations with linearly increasing temperature to predict lithium ion diffusivity by determining the set temperature at which a predetermined migration distance is reached, considering ion interactions and temperature influence.
Benefits of technology
Enables rapid prediction of lithium ion diffusivity while accounting for temperature effects, facilitating the identification of suitable electrode materials.
✦ Generated by Eureka AI based on patent content.
Smart Images
Figure 2026121089000001_ABST
Abstract
This disclosure provides a method for predicting lithium ion diffusivity in a short time, taking into account the interactions between lithium ions and the effects of temperature. [Solution] The present disclosure provides a method for predicting the diffusivity of lithium ions, which involves causing a computer to perform the following steps: (a) obtaining crystal structure information of a lithium-containing compound from a structure database; (b) performing molecular dynamics calculations for the migration distance of lithium ions while linearly increasing a set temperature based on the obtained crystal structure information; and (c) obtaining information indicating the set temperature at which a predetermined migration distance is reached.
Need to check novelty before this filing date? Find Prior Art