DGIST Scholar: Digital-Twin Electrochemo-Mechanical Multiphysics Modeling for Lithium Secondary Batteries

Department of Energy Science and Engineering Theses Ph.D.

Cited time in webofscience

Cited time in scopus

Digital-Twin Electrochemo-Mechanical Multiphysics Modeling for Lithium Secondary Batteries

Title: Digital-Twin Electrochemo-Mechanical Multiphysics Modeling for Lithium Secondary Batteries

Author(s): Jihun Song

DGIST Authors: Jihun Song ; Yong Min Lee ; Jong-Won Lee

Advisor: 이용민

Co-Advisor(s): Jong-Won Lee

Issued Date: 2023

Awarded Date: 2023-02-01

Type: Thesis

Description: Digital twin, Secondary particle, Single particle measurement, Electro-chemo-mechanical model, Structure deformation, Crack propagation

Table Of Contents: Ⅰ. Introduction 1
1.1 Necessity for particle-level research 1
1.2 Particle Crack formation in High-nickel Active Materials 1
1.3 Particle-Level Analysis Methods: Single Particle Measurement, Scanning Transmission X-ray Microscopy, and 3D Modeling 2
ⅠI. 3D Electrochemical model for a single secondary particle and its application for operando analysis: first generation model 3
2.1 Single particle measurement technique and model geometry 3
2.2 Model equations 5
2.3 Parameter description 7
2.4 Model verification and 1D operando analysis of the LFP particle 10
2.5 2D Operando Analysis in the middle of the LFP particle 12
2.6 3D Operando Analysis and Design of the LFP particle 19
2.7 Discussion 22
ⅠII. DIGITAL-TWIN-DERIVEN ELECTRO-CHEMO-MECHNICAL MULTIPHYSICS MODEL FOR SINGLE PARTICLE CATHODE MATERIALS: SECOND GENERATION MODEL 23
3.1 Single particle measurement technique 23
3.2 3D structure formation of a single NMC711 secondary particle 23
3.2.1 Top-down method: FIB/SEM 23
3.2.2 Bottom-up method: Simulation tool 23
3.3 Mechanical strength measurement of a single particle 26
3.4 Electro-chemo-mechanical multiphysics Model 26
3.4.1 Development of a primitive electrochemical model for a single NMC711 secondary particle 28
3.4.2 Improved electrochemical model with a more realistic 3D-reconstructed digital twin of a single NMC711 particle 31
3.4.3 A digital-twin electro-chemo-mechanical model for simulating lithium-induced strain and stress behavior 35
3.4.4 Particle design: Primary and secondary particle sizes 41
3.5 Discussion 47
Summary (in Korean) 55