相关论文: DRT-based modelling framework for Li-ion cells

We report the electrochemical sodium-ion kiinetics and distribution of relaxation time (DRT) analysis of a newly designed mixed polyanionic NaFe$_{1.6}$V$_{0.4}$(PO$_{4}$)(SO$_{4}$)$_{2}$@CNT composite as a cathode. The specific capacity of…

In this work we analyse the local nonlinear electrochemical impedance spectroscopy (NLEIS) response of a lithium-ion battery and estimate model parameters from measured NLEIS data. The analysis assumes a single-particle model including…

All solid state batteries are claimed to be the next-generation battery system, in view of their safety accompanied by high energy densities. A new advanced, multiscale compatible, and fully three dimensional model for solid electrolytes is…

Online safety fault diagnosis is essential for lithium-ion batteries in electric vehicles(EVs), particularly under complex and rare safety-critical conditions in real-world operation. In this work, we develop an online battery fault…

Electrical impedance tomography (EIT) is a non-invasive imaging technique, capable of reconstructing images of the electrical conductivity of tissues and materials. It is popular in diverse application areas, from medical imaging to…

The unified 3D phase-field model for the description of the lithium-ion cell as a whole is developed. The model takes into account the realistic distribution of particles in porous electrodes, percolative transport of ions, and the…

Battery management is a critical component of ubiquitous battery-powered energy systems, in which battery state-of-charge (SOC) and state-of-health (SOH) estimations are of crucial importance. Conventional SOC and SOH estimation methods,…

Impedance measurement is a common technique to characterize and detect the electrical properties of biological cells. However, to decode the underlying physical processes, it requires complex electrical models alongside prior knowledge of…

This article solves two major tasks that frequently arise in the theory of electron collisions with a target molecular cation. First, it extends the energy-dependent frame transformation treatment(EDFT), which is needed to map fixed-nuclei…

This paper proposes a fully unsupervised methodology for the reliable extraction of latent variables representing the characteristics of lithium-ion batteries (LIBs) from electrochemical impedance spectroscopy (EIS) data using information…

Battery management systems may rely on mathematical models to provide higher performance than standard charging protocols. Electrochemical models allow us to capture the phenomena occurring inside a lithium-ion cell and therefore, could be…

Electric autonomous mobility-on-demand (EAMoD) systems are emerging all over the world. However, their potential swarm charging in depots may deteriorate operation of the power system, further in turn affecting EAMoD system's optimal…

Rechargeable lithium-ion (Li-ion) batteries are a ubiquitous element of modern technology. In the last decades, the production and design of such batteries and their adjacent embedded charging and safety protocols, denoted by Battery…

We present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the electronic response of molecular systems to external…

Fast charging of lithium-ion batteries has gained extensive research interests, but most of existing methods are either based on simple rule-based charging profiles or require explicit battery models that are non-trivial to identify…

This work proposes a semi-empirical model for the SEI growth process during the early stages of lithium-ion battery formation cycling and aging. By combining a full-cell model which tracks half-cell equilibrium potentials, a…

Density Functional Theory (DFT) calculations of electrode material properties in high energy density storage devices like lithium batteries have been standard practice for decades. In contrast, DFT modelling of explicit interfaces in…

In this study we construct a data-driven model describing Lithium plating in a battery cell, which is a key process contributing to degradation of such cells. Starting from the fundamental Doyle-Fuller-Newman (DFN) model, we use asymptotic…

In this work, we simulate the electron dynamics in molecular systems with the Time-Dependent Density Matrix Renormalization Group (TD-DMRG) algorithm. We leverage the generality of the so-called tangent-space TD-DMRG formulation and design…

The recently published DeePMD model (https://github.com/deepmodeling/deepmd-kit), based on a deep neural network architecture, brings the hope of solving the time-scale issue which often prevents the application of first principle molecular…