Related papers: Computational Model for Predicting Particle Fractu…
Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…
The entirely soft and transformable room-temperature liquid metal battery based on 3D hybrid printing was proposed and experimentally demonstrated. Liquid metal gallium and conductive gel were employed as the negative and positive electrode…
Despite the ever-increasing use across different sectors, the lithium-ion batteries (LiBs) have continually seen serious concerns over their thermal vulnerability. The LiB operation is associated with the heat generation and buildup effect,…
Dielectrophoresis (DEP), the motion of polarizable particles in non-uniform electric fields, has become an important tool for the transport, separation, and characterization of microparticles in biomedical and nanoelectronics research. In…
The linear-frictional contact model is the most commonly used contact mechanism for discrete element (DEM) simulations of granular materials. Linear springs with a frictional slider are used for modeling interactions in directions normal…
An in situ study of stress evolution and mechanical behavior of germanium as a lithium-ion battery electrode material is presented. Thin films of germanium are cycled in a half-cell configuration with lithium metal foil as counter/reference…
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…
Electrode morphology critically determines the stability and efficiency of lithium metal anodes, yet no predictive framework has explained how measurable parameters control deposition. Here we introduce the first theoretical model of…
Approximately $75 \%$ of the raw material and $50 \%$ of the products in the chemical industry are granular materials. The Discrete Element Method (DEM) provides detailed insights of phenomena at particle scale and it is therefore often…
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…
We perform phase-field simulations of the electrodeposition process that forms dendrites within metal-anode batteries including anisotropic representation. We describe the evolution of a phase field, the lithium-ion concentration, and an…
The lithium (Li) metal anode is essential for next generation high energy density rechargeable Li metal batteries. Although extensive studies have been performed to prolong the cycle life of Li metal batteries, the calendar life, which…
LixTMO2 (TM=Ni, Co, Mn) forms an important family of cathode materials for Li-ion batteries, whose performance is strongly governed by Li composition-dependent crystal structure and phase stability. Here, we use LixCoO2 (LCO) as a model…
A multi-scale model is presented for predicting the magnitude and rate of powder blending in a rotating drum blender. The model combines particle diffusion coefficient correlations from the literature with advective flow field information…
We present a detailed phenomenological study of charged-current-mediated deep-inelastic scattering off longitudinally polarized nucleons at a future Electron-Ion Collider. A new version of the event generator package DJANGOH, extended by…
This work presents a novel three-dimensional Crack Element Method (CEM) designed to model transient dynamic crack propagation in quasi-brittle materials efficiently. CEM introduces an advanced element-splitting algorithm that enables…
Laser cooling methods for trapped ions are most commonly studied at low energies, i.e., in the Lamb-Dicke regime. However, ions in experiments are often excited to higher energies for which the Lamb-Dicke approximation breaks down. Here we…
Sodium-ion batteries employing hard carbon electrodes are considered a drop-in technology for lithium-ion batteries. Electrode drying is a critical manufacturing step, as binder migration during pore emptying impacts the mechanical…
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…
We investigate the modeling and simulation of ionic transport and charge conservation in lithium-ion batteries (LIBs) at the microscale. It is a multiphysics problem that involves a wide range of time scales. The associated computational…