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Lithium-ion batteries are becoming increasingly omnipresent in energy supply. However, the durability of energy storage using lithium-ion batteries is threatened by their dropping capacity with the growing number of charging/discharging…
Battery degradation remains a critical challenge in the pursuit of green technologies and sustainable energy solutions. Despite significant research efforts, predicting battery capacity loss accurately remains a formidable task due to its…
Thermal batteries, also known as molten-salt batteries, are single-use reserve power systems activated by pyrotechnic heat generation, which transitions the solid electrolyte into a molten state. The simulation of these batteries relies on…
Fast charging has attracted increasing attention from the battery community for electrical vehicles (EVs) to alleviate range anxiety and reduce charging time for EVs. However, inappropriate charging strategies would cause severe degradation…
We describe a massively parallel implementation of the recently developed discontinuous Galerkin density functional theory (DGDFT) [J. Comput. Phys. 2012, 231, 2140] method, for efficient large-scale Kohn-Sham DFT based electronic structure…
Fast charging of lithium-ion batteries is limited by lithium plating, which occurs when the anode potential drops below 0 V vs Li/Li+. Model-based control aims to maximize charging current while maintaining anode potentials above this…
Plasmonic nanostructures significantly improve the performance of photoconductive devices (PCDs) in generating terahertz radiation. However, they are geometrically intricate and result in complicated electromagnetic (EM) field and carrier…
We present a three-dimensional simulation study of silicon nanowire double quantum dots (DQDs) with leads at T = 2 K, which extends beyond traditional effective mass or quasi-1D and quasi-2D approaches typically applied to bulk or planar…
Gas diffusion electrodes are commonly used in high energy density metal-air batteries for the supply of oxygen. Hydrophobic binder materials ensure the coexistence of gas and liquid phase in the pore network. The phase distribution has a…
In this study, based on density functional theory (DFT), we propose a new branch of pseudo-fullerenes which contain triple bonds with sp hybridization. We should call these new nanostructures fullerynes, according to IUPAC. We present four…
In this paper we review several approaches to mathematical modeling of simple battery cells and develop these ideas further with emphasis on charge recovery and the response behavior of batteries to given external load. We focus on models…
High-order discontinuous Galerkin (DG) methods equipped with subcell finite-volume (FV) limiters provide an efficient framework for the simulation of nonlinear hyperbolic balance laws featuring shocks and complex flow structures. However,…
Recent advance in nanotechnology has led to rapid advances in nanofluidics, which has been established as a reliable means for a wide variety of applications, including molecular separation, detection, crystallization and biosynthesis.…
Electrolytes play a critical role in designing next-generation battery systems, by allowing efficient ion transfer, preventing charge transfer, and stabilizing electrode-electrolyte interfaces. In this work, we develop a differentiable…
The increasing need for portable and large-scale energy storage systems requires development of new, long lasting and highly efficient battery systems. Solid state NMR spectroscopy has emerged as an excellent method for characterizing…
Battery prognostics and health management predictive models are essential components of safety and reliability protocols in battery management system frameworks. Overall, developing a robust and efficient battery model that aligns with the…
True-time-delay (TTD) beamformers can produce wideband, squint-free beams in both analog and digital signal domains, unlike frequency-dependent FFT beams. Our previous work showed that TTD beamformers can be efficiently realized using the…
Charge unbalance is one of the key issues for series-connected Lithium-ion cells. Within this context, model-based optimization strategies have proven to be the most effective. In the present paper, an ad-hoc electrochemical model, tailored…
We develop a robust matrix-free, communication avoiding parallel, high-degree polynomial preconditioner for the Conjugate Gradient method for large and sparse symmetric positive definite linear systems. We discuss the selection of a scaling…
Continuum solvent models have become a standard technique in the context of electronic structure calculations, yet, no implementations have been reported capable to perform molecular dynamics at solid-liquid interfaces. We propose here such…