SOURCE-LINKED INTELLIGENCE

Multiscale Modeling of Glassy Electrolytes for Solid-State Batteries

CORDIS · observation · Publication date unknown

deling impede large-scale commercialization of SSBs. This project aims to establish a multiscale, multiphysics model for glassy electrolytes in SSBs across varying length and time scales. Initially, deep learning force fields for two glassy electrolyte families, namely lithium-aluminum-titanium-phosphate and lithium thiosilicate, will be developed based on training data generated using ab initio molecular dynamics (Work Package 1). Based on this, large-scale molecular dynamics simulations will be used to clarify the lithium diffusion and fracture mechanisms within the glassy electrolytes at the atomic scale (Work Package 2). Lastly, a multiscale, multiphysics model will be constructed by integrating finite element methods with macro atomistic ab initio dynamics simulations to simultaneously account for electrochemical reactions, heat transfer, and mechanical deformation (Work Package 3). Aalborg University's excellent research environment and the expertise of the fellow applicant (multiphysics modeling) and supervisor (molecular dynamics, glasses) will ensure the achievement of the

Read original source ↗ Open in workspace

recordType

award

status

SIGNED

region

EU

value

230774.4

unit

EUR