Related papers: Validity of solid-state Li$^+$ diffusion coefficie…
Atom interferometers using Bose-Einstein condensates are fundamentally limited by a phase diffusion process that arises from atomic interactions. The Gross-Pitaevskii equation is here used to accurately calculate the diffusion rate for a…
We develop a novel field effect transistor (FET) device using solid ion conductor (SIC) as a gate dielectric, and we can tune the carrier density of FeSe by driving lithium ions in and out of the FeSe thin flakes, and consequently control…
In this article we develop an algorithm for the efficient simulation of electrolytes in the presence of physical boundaries. In previous work the Discrete Ion Stochastic Continuum Overdamped Solvent (DISCOS) algorithm was derived for triply…
Electrolyte reduction products form the solid-electrolyte interphase (SEI) on negative electrodes of lithium-ion batteries. Even though this process practically stabilizes the electrode-electrolyte interface, it results in continued…
In this paper, a core-shell enhanced single particle model for iron-phosphate battery cells is formulated, implemented, and verified. Starting from the description of the positive and negative electrodes charge and mass transport dynamics,…
Results of a first-principles study of the Li impurity in GaN are presented. We find Li is a channel interstitial, with an onset for diffusion at T$\sim$ 600 K. Above this temperature, Li can transform to a Ga-substitutional acceptor by…
Self-correction is an effective technique for maintaining parallel sampling in discrete diffusion models with minimal performance degradation. Prior work has explored self-correction at inference time or during post-training; however, such…
The pseudo-4D Doyle-Fuller-Newman (DFN) model enables predictive simulation of lithium-ion batteries with three-dimensional electrode architectures and particle-scale diffusion, extending the standard pseudo-2D (P2D) formulation to fully…
The entropic coefficient of a lithium-ion battery cell is used to calculate the reversible heat of a battery during operation, which is a non-negligible part for the battery thermal modelling. The contribution of this article is to propose…
A new method of experimental verification of radial dose distribution models using solid state thermoluminescent (TL) detectors LiF:Mg,Cu,P has been recently proposed. In this work the method was applied to verify the spatial distribution…
The short--time self diffusion coefficient of a sphere in a suspension of rigid rods is calculated in first order in the rod volume fraction. For low rod concentrations the correction to the Einstein diffusion constant of the sphere is a…
The effect of the applied trajectory length on the convergence of the static dielectric constant and the self-diffusion coefficient were examined for the SPC/E water model in the NVT ensemble with different system size at 293 K. Very long…
We study the asymptotic distribution of the output of a stable Linear Time-Invariant (LTI) system driven by a non-Gaussian stochastic input. Motivated by longstanding heuristics in the stochastic describing function method, we rigorously…
Adoption of renewable energy is essential to address the challenge of climate change, but that necessitates energy storage technologies. Lithium-ion batteries, the most ubiquitous solution, are insufficient for large-scale applications, so…
We introduce in detail our newly developed \textit{ab initio} LDA+Gutzwiller method, in which the Gutzwiller variational approach is naturally incorporated with the density functional theory (DFT) through the "Gutzwiller density functional…
The standard continuum model of a lithium-ion battery, the Doyle-Fuller-Newman (DFN) model, is computationally expensive to solve. Typically simpler models, such as the single particle model (SPM), are used to provide insight for control…
The state of charge (SOC) of lithium-ion batteries needs to be accurately estimated for safety and reliability purposes. For battery packs made of a large number of cells, it is not always feasible to design one SOC estimator per cell due…
The reliability, lower computational complexity, and ease of implementation of control observers make them one of the most promising methods for the state estimation of Li-ion batteries (LIBs) in commercial applications. To pave their way,…
A model of a lithium-ion battery containing a cosolvent electrolyte is developed and implemented within the open-source PyBaMM platform. Lithium-ion electrolytes are essential to battery operation and normally contain at least two solvents…
Continuum electrolyte models represent a practical tool to account for the presence of the diffuse layer at electrochemical interfaces. However, despite the increasing popularity of these in the field of materials science it remains unclear…