Atomic Insight into the Lithium Storage and Diffusion Mechanism of SiO2/Al2O3 Electrodes of Lithium Ion Batteries: ReaxFF Reactive Force Field Modeling

A Ostadhossein, SY Kim, ED Cubuk, Y Qi… - The Journal of …, 2016 - ACS Publications
Atomically deposited layers of SiO2 and Al2O3 have been recognized as promising coating
materials to buffer the volumetric expansion and capacity retention upon the chemo …

Constitutive modeling of large inelastic deformation of amorphous polymers: Free volume and shear transformation zone dynamics

GZ Voyiadjis, A Samadi-Dooki - Journal of Applied Physics, 2016 - pubs.aip.org
Due to the lack of the long-range order in their molecular structure, amorphous polymers
possess a considerable free volume content in their inter-molecular space. During finite …

Numerical study of composite electrode's particle size effect on the electrochemical and heat generation of a Li-ion battery

AHN Shirazi… - Journal of …, 2015 - asmedigitalcollection.asme.org
Rechargeable lithium-ion batteries (LIBs) are now playing crucial roles in power supply and
energy storage systems. Among all types of rechargeable batteries available nowadays …

[图书][B] ReaxFF Reactive Force-field Modeling of High-capacity Electrodes in Lithium Ion Batteries and Two Dimensional Materials

A Ostadhossein - 2016 - search.proquest.com
Development and application of ReaxFF for Energy Storage Materials Energy storage as a
key aspect of assimilating renewable energy sources in power grids made the development …