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Capacity degradation of lithium-ion batteries under long-term cyclic aging is modelled via a flexible sigmoidal-type regression set-up, where the regression parameters can be interpreted. Different approaches known from the literature are…
Modeling of Li-ion cells is used in battery management systems (BMS) to determine key states such as state-of-charge (SoC), state-of-health (SoH), etc. Accurate models are also useful in developing a cell-level digital-twin that can be used…
Microstructure often dictates materials performance, yet it is rarely treated as an explicit design variable because microstructure is hard to quantify, predict, and optimize. Here, we introduce an image centric, closed-loop framework that…
Renewable energy is critical for combating climate change, whose first step is the storage of electricity generated from renewable energy sources. Li-ion batteries are a popular kind of storage units. Their continuous usage through…
Using a representative translational dimer model, high throughput calculations are implemented for fast screening of a total of 74 diacenaphtho-extended heterocycle (DAH) derivatives as hole transport layer (HTL) materials in perovskite…
Numerous industrial processes can be defined using distributed parameter systems (DPSs). This study introduces a two-stage spatial construction approach for real-time modeling of DPSs in cases of limited sensors. Initially, a discrete…
We propose a multiscale model predictive control (MPC) framework for stationary battery systems that exploits high-fidelity models to trade-off short-term economic incentives provided by energy and frequency regulation (FR) markets and…
Discovery of atomically thin black phosphorus (called phosphorene) holds promise to be used as an alternative two-dimensional material to graphene and transition metal dichalcogenides especially as an anode material for lithium-ion…
Due to the increasing volume of Electric Vehicles in automotive markets and the limited lifetime of onboard lithium-ion batteries (LIBs), the large-scale retirement of LIBs is imminent. The battery packs retired from Electric Vehicles still…
The scale of scientific High Performance Computing (HPC) and High Throughput Computing (HTC) has increased significantly in recent years, and is becoming sensitive to total energy use and cost. Energy-efficiency has thus become an important…
Model predictive control (MPC) is a powerful tool for controlling complex nonlinear systems under constraints, but often struggles with model uncertainties and the design of suitable cost functions. To address these challenges, we discuss…
A data-driven modeling approach is presented to quantify the influence of morphology on effective properties in nanostructured sodium vanadium phosphate $\mathrm{Na}_3\mathrm{V}_2(\mathrm{PO}_4)_3$/ carbon composites (NVP/C), which are used…
Quantum harmonic oscillator (QHO) battery models have been studied with significant importance in the recent past because these batteries are experimentally realizable and have high ergotropy and capacity to store more than one quanta of…
The development of advanced materials with high specific energy is crucial for enabling sustainable energy storage solutions, particularly in applications such as lithium-air batteries. Lithium peroxide (Li$_{2}$O$_{2}$) is a key discharge…
Large-scale battery energy storage systems (BESS) are helping transition the world towards sustainability with their broad use, among others, in electrified transportation, power grid, and renewables. However, optimal power management for…
Lithium-ion batteries (LiBs) have transformed electrochemical energy storage technologies and made a substantial contribution to grid-scale energy storage and the e-mobility revolution. Notwithstanding their many benefits, safety issues…
The penetration of dendrites in ceramic lithium conductors severely constrains the development of solid-state batteries (SSBs) while its nanoscopic origin remain unelucidated. We develop an in-situ nanoscale electrochemical characterization…
Computational studies of electrochemical interfaces based on density-functional theory (DFT) play an increasingly important role in present research on electrochemical processes for energy conversion and storage. The homogeneous background…
Large, complex, multi-scale, multi-physics simulation codes, running on high performance com-puting (HPC) platforms, have become essential to advancing science and engineering. These codes simulate multi-scale, multi-physics phenomena with…
The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic properties of their constituent materials as well as by their underlying microstructure. Microstructural design can be leveraged to…