Atomistic modeling of fracture
Atomistic modeling of fracture is intended to illuminate the complex response of atoms in the
very high stressed region just ahead of a sharp crack. Accurate modeling of the atomic scale …
very high stressed region just ahead of a sharp crack. Accurate modeling of the atomic scale …
[PDF][PDF] Understanding the role of mechanics in energy materials: A perspective
Mechanical issues are ubiquitous in energy storage, conversion, and harvesting. Cracks
occur in solid oxide fuel cells due to the thermal stresses and non-stoichiometry of oxygen in …
occur in solid oxide fuel cells due to the thermal stresses and non-stoichiometry of oxygen in …
Densification of Alloying Anodes for High Energy Lithium‐Ion Batteries: Critical Perspective on Inter‐Versus Intra‐Particle Porosity
Y Luo, Y Chen, N Koratkar, W Liu - Advanced Science, 2024 - Wiley Online Library
High Li‐storage‐capacity particles such as alloying‐based anodes (Si, Sn, Ge, etc.) are core
components for next‐generation Li‐ion batteries (LIBs) but are crippled by their intrinsic …
components for next‐generation Li‐ion batteries (LIBs) but are crippled by their intrinsic …
Residual stress and elastic recovery of imprinted Cu-Zr metallic glass films using molecular dynamic simulation
Molecular dynamics simulations are employed to study mechanistic characteristics of Cu-Zr
metallic glasses films during the imprinting process. The influences of punch geometry …
metallic glasses films during the imprinting process. The influences of punch geometry …
Multiple structural phase transitions in single crystal silicon subjected to dynamic loading
Abstract Single crystal Silicon (SC Si), as one of the most extensively used elements, has a
series of complex phase changes, however, it is not fully understood under dynamic loading …
series of complex phase changes, however, it is not fully understood under dynamic loading …
Reactive force-field simulation and experimental validation of cyclic defects in silicon anodes for lithium-ion batteries
Silicon anodes for lithium-ion batteries offer high theoretical capacity but face practical
challenges of capacity fading due to significant volumetric changes during charge-discharge …
challenges of capacity fading due to significant volumetric changes during charge-discharge …
Alleviating expansion-induced mechanical degradation in lithium-ion battery silicon anodes via morphological design
The mechanics of films undergoing volume expansion on curved substrates plays a key role
in a variety of technologies including biomedical implants, thermal and environmental …
in a variety of technologies including biomedical implants, thermal and environmental …
Deformation and failure mechanisms of electrochemically lithiated silicon thin films
A fundamental understanding of mechanical behavior of a Li–Si system is necessary to
address the poor mechanical integrity of amorphous silicon (a-Si) electrodes, in order to …
address the poor mechanical integrity of amorphous silicon (a-Si) electrodes, in order to …
Simulations of a LiF solid electrolyte interphase cracking on silicon anodes using molecular dynamics
DE Galvez-Aranda, JM Seminario - Journal of The …, 2018 - iopscience.iop.org
The main advantage of silicon-based anodes for lithium-ion batteries is their high volumetric
and gravimetric capacity to store Li. However, swelling upon lithiation causes cracks on the …
and gravimetric capacity to store Li. However, swelling upon lithiation causes cracks on the …
A review of the multiscale mechanics of silicon electrodes in high-capacity lithium-ion batteries
Over the past decade, there has been a significant advancement in understanding the
mechanics of silicon (Si) electrodes in lithium (Li)-ion batteries. Much of this interest in Si …
mechanics of silicon (Si) electrodes in lithium (Li)-ion batteries. Much of this interest in Si …