Related papers: Modeling battery cells under discharge using kinet…
Reaction networks are mathematical models of interacting chemical species that are primarily used in biochemistry. There are two modeling regimes that are typically used, one of which is deterministic and one that is stochastic. In…
We study the effect of non-Markovianity in the charging process of an open-system quantum battery. We employ a collisional model framework, where the environment is described by a discrete set of ancillary systems and memory effects in the…
In the modelling of stochastic phenomena, such as quasi-reaction systems, parameter estimation of kinetic rates can be challenging, particularly when the time gap between consecutive measurements is large. Local linear approximation…
Batteries are nonlinear dynamical systems that can be modeled by Porous Electrode Theory models. The aim of optimal fast charging is to reduce the charging time while keeping battery degradation low. Most past studies assume that model…
Lithium-ion batteries are increasingly being deployed in liberalised electricity systems, where their use is driven by economic optimisation in a specific market context. However, battery degradation depends strongly on operational profile,…
We propose a stochastic model for intracellular transport processes associated with the activity of molecular motors. This out-of-equilibrium model, based on a generalized Langevin equation, considers a particle immersed in a viscoelastic…
LiNiO$_2$ shows poor Li transport kinetics at the ends of charge and discharge in the first cycle, which significantly reduces its available capacity in practice. The atomistic origins of these kinetic limits have not been fully understood.…
Charge carrier dynamics critically affect the efficiency and stability of organic photovoltaic devices, but they are challenging to model with traditional analytical methods. We introduce \b{eta}-Linearly Decoded Latent Ordinary…
The response of a model micro-electrochemical system to a time-dependent applied voltage is analyzed. The article begins with a fresh historical review including electrochemistry, colloidal science, and microfluidics. The model problem…
This paper examines the problem of estimating the parameters of a Lithium-Sulfur (LiS) battery from experimental cycling data. LiS batteries are attractive compared to traditional Lithium-Ion batteries, thanks largely to their potential to…
A light-driven molecular motor system is investigated using a multi-state Brownian ratchet model described by a single effective coordinate with multiple electronic states in a dissipative environment. The rotational motion of the motor…
This paper examines the problem of estimating the states, including state of charge, of battery cells connected in parallel. Previous research highlights the importance of this problem, and presents multiple approaches for solving it.…
This paper introduces a class of stochastic models of interacting neurons with emergent dynamics similar to those seen in local cortical populations, and compares them to very simple reduced models driven by the same mean excitatory and…
In the lithium-ion battery literature, discharges followed by a relaxation to equilibrium are frequently used to validate models and their parametrizations. Good agreement with experiment during discharge is easily attained with a…
Non-equilibrium electrochemistry raises new challenges for atomistic simulation: we need to perform molecular dynamics for the nuclear degrees of freedom with an explicit description of the electrons, which in turn must be free to enter and…
A parallel plate capacitor containing an electrolytic solution is the simplest model of a supercapacitor, or electric double layer capacitor. Using both analytical and numerical techniques, we solve the Poisson-Nernst-Planck equations for…
We study classical stochastic systems with discrete states, coupled to switching external environments. For fast environmental processes we derive reduced dynamics for the system itself, focusing on corrections to the adiabatic limit of…
The performance of quantum technologies that use entanglement and coherence as resource is highly limited by decohering effects due to their interaction with some environment. Particularly, it is important to take into account situations…
We study three well known models of matter coupled to the ultraviolet cutoff, quantized radiation field and to the Coulomb potential of arbitrarily many nuclei. Two are nonrelativistic: the first uses the kinetic energy (p+eA(x))^2 and the…
We review recent ab initio molecular dynamics studies of electrode/electrolyte interfaces in lithium ion batteries. Our goals are to introduce experimentalists to simulation techniques applicable to models which are arguably most faithful…