Gaussian process based crack initiation modeling for design of battery anode materials

Zhuoyuan Zheng, Yanwen Xu, Bo Chen, Pingfeng Wang

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Silicon-based anode is one of the promising candidates for the next generation lithium ion batteries (LIBs) to achieve high power/energy density. However, the major drawback limiting the practical application of Si anode is that Si experiences significant volume change during its lithiation/de-lithiation cycles, which induces high stress and causes degradation and pulverization of the anode. This study focuses on the crack initiation performances of Si anode during the de-lithiation process. A multi-physics based finite element (FE) model is built to simulate the electrochemical process and crack generation during de-lithiation. On top of that, a Gaussian Processes (GP) based surrogate model is developed to assist the exploration of the crack initiation performances within the anode design space. It is found that, the thickness of the Si coating layer TSi, the yield strength σFc of Si material, the cohesive strength between Si and substrate σFs, and the curvature of the substrate ρ have large impacts on the cracking behavior of Si. This coupled FE simulation-GP surrogate model framework is also applicable to other types of LIB electrodes.

Original languageEnglish (US)
Title of host publication45th Design Automation Conference
PublisherAmerican Society of Mechanical Engineers (ASME)
ISBN (Electronic)9780791859186
DOIs
StatePublished - 2019
EventASME 2019 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference, IDETC-CIE 2019 - Anaheim, United States
Duration: Aug 18 2019Aug 21 2019

Publication series

NameProceedings of the ASME Design Engineering Technical Conference
Volume2A-2019

Conference

ConferenceASME 2019 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference, IDETC-CIE 2019
CountryUnited States
CityAnaheim
Period8/18/198/21/19

Keywords

  • Crack initiation
  • GP based surrogate model
  • Multi-physics modeling
  • Silicon anode

ASJC Scopus subject areas

  • Mechanical Engineering
  • Computer Graphics and Computer-Aided Design
  • Computer Science Applications
  • Modeling and Simulation

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