Related papers: A fast and accurate method for inferring solid-sta…
A novel method, the Gaussian Integral Method (GIM), is presented for calculating void fractions in Computational Fluid Dynamics-Discrete Element Method (CFD-DEM) simulations. GIM is versatile and applicable to various grid types, including…
Safe and reliable operation of lithium-ion battery packs depends on effective fault diagnosis. However, model-based approaches often encounter two major challenges: high computational complexity and extensive sensor requirements. To address…
We introduce Linearly Constrained Diffusion Implicit Models (CDIM), a fast and accurate approach to solving noisy linear inverse problems using diffusion models. Traditional diffusion-based inverse methods rely on numerous projection steps…
The projected rapid growth of battery cell production over the next decade demands advanced diagnostic tools for quality control, ageing prediction, and recycling. Most existing techniques lack the spatial and temporal resolution required…
Lithium-ion battery performance is strongly influenced by the ionic conductivity of the electrolyte, which depends on the speed at which Li ions migrate across the cell and relates to their solvation structure. The choice of solvent can…
As an anode material for lithium-ion batteries, amorphous silicon offers a significantly higher energy density than the graphite anodes currently used. Alloying reactions of lithium and silicon, however, induce large deformation and lead to…
Seismic acoustic impedance plays a crucial role in lithological identification and subsurface structure interpretation. However, due to the inherently ill-posed nature of the inversion problem, directly estimating impedance from post-stack…
By means of Density Functional Theory calculations we evaluate several lithium carbonate - graphite interface models as a prototype of the Solid Electrolyte Interphase capping layer on graphite anodes in lithium-ion batteries. It is found…
Energy efficient, safe and reliable Li-ion batteries (LIBs) are required for a wide range of applications. Charging capabilities of thick electrodes still holding their stored high-energy is a most desirable characteristic in future…
Lithium-ion (Li-ion) batteries are ubiquitous in modern energy storage systems, highlighting the critical need to comprehend and optimize their performance. Yet, battery models often exhibit poor parameter identifiability which hinders the…
The simulation of sand--water mixtures requires capturing the stochastic behavior of individual sand particles within a uniform, continuous fluid medium, such as the characteristic of migration, deposition, and plugging across various…
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…
Power system cyber-physical uncertainties, including measurement ambiguities stemming from cyber attacks and data losses, along with system uncertainties introduced by massive renewables and complex dynamics, reduce the likelihood of…
Accurate prediction of ionic conductivity is critical for the design of high-performance solid-state electrolytes in next-generation batteries. We benchmark molecular dynamics (MD) approaches for computing ionic conductivity in 21 lithium…
In lithium ion batteries, Li+ intercalation and processes associated with passivation of electrodes are governed by applied voltages, which are in turn associated with free energy changes of Li+ transfer (Delta G_t) between the solid and…
Lithium-ion technologies are increasingly employed to electrify transportation and provide stationary energy storage for electrical grids, and as such their development has garnered much attention. However, their deployment is still…
Despite their strong performances on many generative tasks, diffusion models require a large number of sampling steps in order to generate realistic samples. This has motivated the community to develop effective methods to distill…
Whereas diverse variations of diffusion models exist, extending the linear diffusion into a nonlinear diffusion process is investigated by very few works. The nonlinearity effect has been hardly understood, but intuitively, there would be…
Density-functional-theory (DFT) calculations have been performed on the Li-Si and Li-Ge systems. Lithiated Si and Ge, including their metastable phases, play an important technological r\^ole as Li-ion battery (LIB) anodes. The calculations…
Changes in hydration are central to the phenomenon of biomolecular recognition, but it has been difficult to properly frame and answer questions about their precise thermodynamic role. We address this problem by introducing Grid…