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Home   /   Post Doctorat   /   Improvement and extension of a phase-field model for the 3D simulation of important phenomena in the behavior of lithium-ion batteries

Improvement and extension of a phase-field model for the 3D simulation of important phenomena in the behavior of lithium-ion batteries

Condensed matter physics, chemistry & nanosciences Engineering sciences Mathematics - Numerical analysis - Simulation Solid state physics, surfaces and interfaces


In order to optimize the charging time of current-generation batteries, or increasing the power density for future generations, the study of the behavior of materials is crucial to master the lithiation mechanisms of intercalations materials. (e.g. graphite) or “stripping/plating” of lithium metal. In this context, the use of phase field numerical simulations is booming; these methods lend themselves to the modeling of dynamic phenomena for multiphase and multiconstituent systems.
Recently, a 2D phase field module from TrioCFD (open-source software developed at CEA and based on the TRUST platform) was generalized to an arbitrary number of constituents or phases. This post-doctoral project aims to improve and extend this TrioCFD module to high-performance 3D simulations in a distributed parallel computing environment. The objective is to use this module to simulate the 3D physical behaviors of interest of the aforementioned lithium-ion battery materials. We will rely on recent 2D phase field work which has provided a certain number of original and relevant answers to these issues. The move to 3D simulations will provide essential scientific perspectives for these applications.
This work will be carried out as part of a collaboration between several CEA teams from the Cadarache, Grenoble and Saclay centers, bringing together varied expertise (behavior of lithium-ion batteries, phase field method, TrioCFD software environment and numerical methods).


Département de Technologie Nucléaire
Service Mesures et modélisation des Transferts et des Accidents graves
Laboratoire de modélisation des accidents graves
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