相关论文: A continuous multiphase model for liquid metal bat…
We present a computational microscopy analysis (targeted molecular dynamics simulations) of the structure and performance of conductive metal organic framework (MOF) electrodes in supercapacitors with room temperature ionic liquids. The…
Electrochemical batteries are ubiquitous devices in our society. When they are employed in mission-critical applications, the ability to precisely predict the end of discharge under highly variable environmental and operating conditions is…
Understanding how practical lithium storage capacity varies with charge-discharge rate is crucial for designing durable anode free lithium batteries. We examine the lithiation behavior of single element metal electrodes-Al (alloying), Mg…
The present work addresses the simulation of pore emptying during the drying of battery electrodes. For this purpose, a model based on the multiphase-field method (MPF) is used, since it is an established approach for modeling and…
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…
This article embraces a theoretical description of the first order phase transition in liquid metals with application of a cell fluid model. The results are obtained through calculation of the grand partition function without usage of…
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…
The application of machine learning in materials presents a unique challenge of dealing with scarce and varied materials data - both experimental and theoretical. Nevertheless, several state-of-the-art machine learning models for materials…
The first and most important purpose of the current research work is to investigate the effects that different battery types have on the optimal configuration of photovoltaic (PV) and battery systems, from both economic and resilience…
Constant potential method molecular dynamics simulation (CPM MD) enables the accurate modelling of atomistic electrode charges when studying the electrode-electrolyte interface at the nanoscale. Here we extend the theoretical framework of…
Rechargeable battery electrodes have highly complex microstructures, consisting of nonuniform electrode particles, tortuous electrolyte channels, and irregular particle-electrolyte interfaces. Moreover, the electrochemical processes involve…
As a significant ingredient regarding health status, data-driven state-of-health (SOH) estimation has become dominant for lithium-ion batteries (LiBs). To handle data discrepancy across batteries, current SOH estimation models engage in…
All-solid-state batteries are seen as promising candidates to replace conventional batteries with liquid electrolytes in many applications. However, they are not yet feasible for many relevant applications. One particular question of…
Battery degradation is a major challenge in electric vehicles (EV) and energy storage systems (ESS). However, most degradation investigations focus mainly on estimating the state of charge (SOC), which fails to accurately interpret the…
Efficient and accurate remaining useful life prediction is a key factor for reliable and safe usage of lithium-ion batteries. This work trains a long short-term memory recurrent neural network model to learn from sequential data of…
Developing high-energy-density batteries is essential for advancing sustainable energy technologies. However, leading cathode materials such as Li-rich oxides, including Li$_2$MnO$_3$, suffer from capacity loss due to irreversible oxygen…
Aiming at the dilemma that most laboratory data-driven diagnostic and prognostic methods cannot be applied to field batteries in passenger cars and energy storage systems, this paper proposes a method to bridge field data and laboratory…
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…
Redox Flow Batteries are a promising option for large-scale stationary energy storage. The vanadium redox flow battery is the most widely commercialized system thanks to its chemical stability and performance. This work aims to optimize the…
We present a refined Mn-Zn-H$_2$O Pourbaix diagram with the emphasis on parameters relevant for the Zn/MnO$_2$ rechargeable cells. It maps out boundaries of electrochemical stability for MnO$_2$, ZnMn$_2$O$_4$, ZnMn$_3$O$_7$, and MnOOH. The…