TY - JOUR
T1 - Effects of Diffusion-Induced Nonlinear Local Volume Change on the Structural Stability of NMC Cathode Materials of Lithium-Ion Batteries
AU - Iqbal, Noman
AU - Choi, Jinwoong
AU - Lee, Changkyu
AU - Ayub, Hafiz Muhammad Uzair
AU - Kim, Jinho
AU - Kim, Minseo
AU - Kim, Younggee
AU - Moon, Dongjae
AU - Lee, Seungjun
N1 - Publisher Copyright:
© 2022 by the authors.
PY - 2022/12
Y1 - 2022/12
N2 - Electrochemical stress induced by the charging/discharging of electrode materials strongly affects the lifetime of lithium-ion batteries (LIBs) by regulating mechanical failures. Electrochemical stress is caused by a change in the local volume of the active materials associated with the lithium-ion concentration. The local volume change of certain active materials, such as nickel-rich LiNixMnyCozO2 (NMC), varies nonlinearly with the lithium content, which has not been considered in the stress calculations in previous studies. In this paper, the influence of nonlinear local volume change on the mechanical response of NMC-active materials is investigated numerically. The goal is achieved by using a concentration-dependent partial molar volume calculated from the previously obtained local volume change experimental results. A two-dimensional axisymmetric model was developed to perform finite element simulations by fully coupling lithium diffusion and stress generation at a single particle level. The numerical results demonstrate that (1) the global volume change of the particle evolves nonlinearly, (2) the stress response correlates with the rate of change of the active particle’s volume, and (3) stress–concentration coupling strongly affects the concentration levels inside the particle. We believe this is the first simulation study that highlights the effect of a concentration-dependent partial molar volume on diffusion-induced stresses in NMC materials. The proposed model provides insight into the design of next-generation NMC electrode materials to achieve better structural stability by reducing mechanical cracking issues.
AB - Electrochemical stress induced by the charging/discharging of electrode materials strongly affects the lifetime of lithium-ion batteries (LIBs) by regulating mechanical failures. Electrochemical stress is caused by a change in the local volume of the active materials associated with the lithium-ion concentration. The local volume change of certain active materials, such as nickel-rich LiNixMnyCozO2 (NMC), varies nonlinearly with the lithium content, which has not been considered in the stress calculations in previous studies. In this paper, the influence of nonlinear local volume change on the mechanical response of NMC-active materials is investigated numerically. The goal is achieved by using a concentration-dependent partial molar volume calculated from the previously obtained local volume change experimental results. A two-dimensional axisymmetric model was developed to perform finite element simulations by fully coupling lithium diffusion and stress generation at a single particle level. The numerical results demonstrate that (1) the global volume change of the particle evolves nonlinearly, (2) the stress response correlates with the rate of change of the active particle’s volume, and (3) stress–concentration coupling strongly affects the concentration levels inside the particle. We believe this is the first simulation study that highlights the effect of a concentration-dependent partial molar volume on diffusion-induced stresses in NMC materials. The proposed model provides insight into the design of next-generation NMC electrode materials to achieve better structural stability by reducing mechanical cracking issues.
KW - NMC electrode
KW - concentration-dependent material property
KW - finite element simulation
KW - lithium-ion battery
KW - nonlinear volume change
UR - http://www.scopus.com/inward/record.url?scp=85144685925&partnerID=8YFLogxK
U2 - 10.3390/math10244697
DO - 10.3390/math10244697
M3 - Article
AN - SCOPUS:85144685925
SN - 2227-7390
VL - 10
JO - Mathematics
JF - Mathematics
IS - 24
M1 - 4697
ER -