Related papers: A fast and accurate method for inferring solid-sta…
To unlock the full potential of lithium metal batteries, a deep understanding of lithium metal reactivity and its solid electrolyte interphase is essential. Correlative imaging, combining focused ion beam and electron microscopy offers a…
Wadsley-Roth crystal structures are an attractive class of materials for batteries because lithium diffusion is facilitated by the ReO3-like block structure with electron transport enabled by edge-sharing along shear planes. However, clear…
Key to advancing lithium-ion battery technology, and in particular fast charging capabilities, is our ability to follow and understand the dynamic processes occurring in operating materials under realistic conditions, in real time, and on…
Ligand-receptor binding and unbinding are fundamental biomolecular processes and particularly essential to drug efficacy. Environmental water fluctuations, however, impact the corresponding thermodynamics and kinetics and thereby challenge…
Motivated through various applications of the trapping diffusion-influenced reactions theory in physics, chemistry and biology, this paper deals with irreducible Cartesian tensors (ICT) technique within the scope of the generalized method…
Solvent can occupy up to ~70% of macromolecular crystals and hence having models that predict solvent distributions in periodic systems could improve in the interpretation of crystallographic data. Yet there are few implicit solvent models…
The Isochronous Mass Spectrometry (IMS) is a powerful technique developed in heavy-ion storage rings for measuring masses of very short-lived exotic nuclei. The IMS is based on the isochronous setting of the ring. One of the main parameters…
This letter proposes a lightweight, model-free online diagnostic framework for detecting internal short circuits (ISC) in single lithium-ion cells under dynamic operating conditions. The core of the method lies in computing the first-order…
Accurate tracking of the internal electrochemical states of lithium-ion battery during cycling enables advanced battery management systems to operate the battery safely and maintain high performance while minimizing battery degradation. To…
The increased deployment of intermittent renewable energy generators opens up opportunities for grid-connected energy storage. Batteries offer significant flexibility but are relatively expensive at present. Battery lifetime is a key factor…
This paper presents an improved version of the previously proposed self-consistent drift-diffusion-reaction model correcting for non-physical behavior at longer time scales. To this end a novel boundary condition is employed that takes into…
Accurate modeling of lithium ion (li-ion) batteries is essential for enhancing the safety, and efficiency of electric vehicles and renewable energy systems. This paper presents a data-inspired approach for improving the fidelity of…
A major challenge in the development of new battery materials is understanding their fundamental mechanisms of operation and degradation. Their microscopically inhomogeneous nature calls for characterization tools that provide operando and…
We propose a multi-patient inverse modeling framework for identifying effective calcium and citrate diffusion coefficients in hollow-fiber hemodialysis devices. The approach relies on a coupled forward model combining axisymmetric fluid…
Achieving Li-S batteries' promise of significantly higher gravimetric energy density and lower cost than Li-ion batteries requires researchers to delineate the most important factors affecting the performance of this technology. By encoding…
Ensuring solid-state lithium batteries perform well across a wide temperature range is crucial for their practical use. Molecular dynamics (MD) simulations can provide valuable insights into the temperature dependence of the battery…
By informing accurate performance (e.g., capacity), health state management plays a significant role in safeguarding battery and its powered system. While most current approaches are primarily based on data-driven methods, lacking in-depth…
Accurate prediction of lithium-ion battery capacity and its associated uncertainty is essential for reliable battery management but remains challenging due to the stochastic nature of aging. This paper presents a new method, termed the…
We present a high-throughput computational screening for fast lithium-ion conductors to identify promising materials for application in all solid-state electrolytes. Starting from more than 30,000 Li-containing experimental structures…
We present a computational screening of experimental structural repositories for fast Li-ion conductors, with the goal of finding new candidate materials for application as solid-state electrolytes in next-generation batteries. We start…