Quo vadis multiscale modeling in reaction engineering?–A perspective
This work reports the results of a perspective workshop held in summer 2021 discussing the
current status and future needs for multiscale modeling in reaction engineering. This …
current status and future needs for multiscale modeling in reaction engineering. This …
Kinetic Monte Carlo simulations applied to Li-ion and post Li-ion batteries: a key link in the multi-scale chain
Abstract Since 1994, Kinetic Monte Carlo (kMC) has been applied to the study of Li-ion
batteries and has demonstrated to be a remarkable simulation tool to properly describe the …
batteries and has demonstrated to be a remarkable simulation tool to properly describe the …
Introducing hybrid modeling with time-series-transformers: A comparative study of series and parallel approach in batch crystallization
Given the hesitance surrounding the direct implementation of black-box tools due to safety
and operational concerns, fully data-driven deep-neural-network (DNN)-based digital twins …
and operational concerns, fully data-driven deep-neural-network (DNN)-based digital twins …
Model predictive control of Lithium-ion batteries: Development of optimal charging profile for reduced intracycle capacity fade using an enhanced single particle model …
Recently, given the high demand of electric vehicles, the implementation of a battery
management system (BMS) for efficient energy use, safety, and state of health estimation …
management system (BMS) for efficient energy use, safety, and state of health estimation …
An adaptive data-driven approach for two-timescale dynamics prediction and remaining useful life estimation of Li-ion batteries
During the multi-cycle operation of a Li-ion battery, its process dynamics evolve in two
distinct timescales: slow degradation dynamics over multiple cycles and fast cycling …
distinct timescales: slow degradation dynamics over multiple cycles and fast cycling …
Two-stage deep learning for online prediction of knee-point in Li-ion battery capacity degradation
S Sohn, HE Byun, JH Lee - Applied Energy, 2022 - Elsevier
Accurate monitoring of capacity degradation of a lithium-ion battery is important as it enables
the user to manage the battery usage for optimal performance/lifetime and to take …
the user to manage the battery usage for optimal performance/lifetime and to take …
Multiscale modeling of dendrite formation in lithium-ion batteries
The commercialization of Lithium-ion batteries (LIBs) with Li metal anode has reached an
impasse due to the unpredictable dendrite growth, which significantly deteriorates the …
impasse due to the unpredictable dendrite growth, which significantly deteriorates the …
Electrochemical models: methods and applications for safer lithium-ion battery operation
Emphasis on clean energy has led to a widespread focus on lithium-ion batteries. However,
a major obstacle is their degradation with several cycles or calendar aging. Battery …
a major obstacle is their degradation with several cycles or calendar aging. Battery …
Enabling dendrite-free charging for lithium batteries based on transport-reaction competition mechanism in CHAIN framework
L Zhang, S Chen, W Wang, H Yu, H **e, H Wang… - Journal of Energy …, 2022 - Elsevier
Worldwide trends in mobile electrification will skyrocket demands for lithium-based battery
production, driven by the popularity of electric vehicles. However, both lithium metal …
production, driven by the popularity of electric vehicles. However, both lithium metal …
Species distribution during solid electrolyte interphase formation on lithium using MD/DFT-parameterized kinetic Monte Carlo simulations
M Gerasimov, FA Soto, J Wagner… - The Journal of …, 2023 - ACS Publications
Lithium metal batteries are one of the promising technologies for future energy storage. One
open challenge is the generation of a stable and well performing Solid Electrolyte …
open challenge is the generation of a stable and well performing Solid Electrolyte …