Related papers: Phase Separation Dynamics in Isotropic Ion-Interca…
As a significant ingredient regarding health status, data-driven state-of-health (SOH) estimation has become dominant for lithium-ion batteries (LiBs). To handle data discrepancy across batteries, current SOH estimation models engage in…
The Cahn--Hilliard equation is one of the most common models to describe phase separation processes of a mixture of two materials. For a better description of short-range interactions between the material and the boundary, various dynamic…
Based on large-scale molecular dynamics simulations, we propose a new charging method that should be capable of charging a Lithium-ion battery in a fraction of the time needed when using traditional methods. This charging method uses an…
We propose a weak solution theory for the sharp interface limit of the Cahn-Hilliard reaction model, a variational PDE for lithium-ion batteries. An essential feature of this model is the use of Butler-Volmer kinetics for lithium-ion…
Nickel-based layered oxides offer an attractive platform for the development of energy-dense cobalt-free cathodes for lithium-ion batteries but suffer from degradation via oxygen gas release during electrochemical cycling. While such…
Lithium-ion batteries are used to store energy in electric vehicles. Physical models based on electro-chemistry accurately predict the cell dynamics, in particular the state of charge. However, these models are nonlinear partial…
A nonequilibrium thermodynamic model is presented for the nonisothermal lithium-ion battery cell. Coupling coefficients, all significant for transport of heat, mass, charge and chemical reaction, were used to model profiles of temperature,…
Fracture of lithium-ion battery electrodes is found to contribute to capacity fade and reduce the lifespan of a battery. Traditional fracture models for batteries are restricted to consideration of a single, idealised particle; here,…
We study ab initio computations of the interaction of Lithium with a strong laser field. Numerical solutions of the time-dependent fully-correlated three-particle Schroedinger equation restricted to the one-dimensional soft-core…
In this article, a pioneering study is presented where the intermittent current interruption method is used to characterize the aging behavior of commercial lithium ion batteries. With a very resource-efficient implementation, this method…
Porous electrode theory, pioneered by John Newman and collaborators, provides a useful macroscopic description of battery cycling behavior, rooted in microscopic physical models rather than empirical circuit approximations. The theory…
Room temperature ionic liquids are attractive to numerous applications and particularly, to renewable energy devices. As solvent free electrolytes, they demonstrate a paramount connection between the material morphology and Coulombic…
We present a mechanistic theory for predicting void evolution in the Li metal electrode during the charge and discharge of all-solid-state battery cells. A phase field formulation is developed to model vacancy annihilation and nucleation,…
Wadsley--Roth crystallographic shear phases form a family of compounds that have attracted attention due to their excellent performance as lithium-ion battery electrodes. The complex crystallographic structure of these materials poses a…
We develop a continuum phase-field model for the simulation of diffusion limited solid-solid phase transformations during lithium insertion in LiFePO4-nano-particles. The solid-solid phase boundary between the LiFePO4 (LFP)-phase and the…
Understanding (de)lithiation heterogeneities in battery materials is key to ensuring optimal electrochemical performance and developing better energy storage devices. However, this remains challenging due to the complex three dimensional…
In lithium ion batteries, Li+ intercalation and processes associated with passivation of electrodes are governed by applied voltages, which are in turn associated with free energy changes of Li+ transfer (Delta G_t) between the solid and…
We consider the elastic scattering of electrons by hydrogen atoms in the presence of a two-color circularly polarized laser field in the domain of moderate intensities below $10^{13}$ W/cm$^2$ and high projectile energies. A hybrid approach…
A nonlinear phase-field model is developed to simulate corrosion damage. The motion of the electrode$-$ electrolyte interface follows the usual kinetic rate theory for chemical reactions based on the Butler-Volmer equation. The model links…
Compton scattering imaging using high-energy synchrotron x-rays allows the visualization of the spatio-temporal lithiation state in lithium-ion batteries probed in-operando. Here, we apply this imaging technique to the commercial 18650-type…