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Friday, August 02


Multiscale and Multiphysics Modeling of Li-Ion Batteries:
A Computational Homogenization Approach

Alberto Salvadori, The University of Brescia, Italy
Computer Science and Mathematics Division Seminar Series
10:00 AM — 11:00 AM, Computational Sciences Building (5600), Room C-101
Contact: Clayton Webster (webstercg@ornl.gov), 865.574.3649

Abstract

There is a great interest in the development of next generation lithium ion batteries with higher capacity and longer cycle life in order to meet significantly more demanding energy storage requirements for existing and future energy storage systems. It is well documented that volume changes and large mechanicals stresses are associated with lithium intercalation/deintercalation, which may lead to fracture and be responsible for poor cycling and quick fading of electrochemical performance. This present contribution aims at providing scientific input to describe the phenomena from the perspective of mathematical modeling.

The computational homogenization scheme is here tailored to model the coupling between electrochemistry and mechanical phenomena that coexist during battery charging and discharging cycles. At the macro-scale, diffusion-advection equations model the electrochemistry of the whole cell, whereas the micro-scale equations model the multi-component porous electrode, diffusion and intercalation of lithium in electrode particles, and the deformation and fracture of the latter. The scale transitions are formulated by tailoring the well established first-order computational homogenization scheme for mechanical and thermal problems.

Authors are gratefully indebted to Dr. E. Bosco for her precious help. We also acknowledge discussions and scientific suggestions from Prof. L. Anand, A. Bower, M. Geers, V. Kouznetsova, B. Scrosati, and J. Berger.

If you would like to meet with Alberto Salvadori, please contact Billy Fields or Sergiy Kalnaus at any time.