Li$_x$CoO$_2$ phase stability studied by machine learning-enabled scale bridging between electronic structure, statistical mechanics and phase field theories

no code implementations • 16 Apr 2021 • Gregory H. Teichert, Sambit Das, Muratahan Aykol, Chirranjeevi Gopal, Vikram Gavini, Krishna Garikipati

Li$_xTM$O$_2$ (TM={Ni, Co, Mn}) are promising cathodes for Li-ion batteries, whose electrochemical cycling performance is strongly governed by crystal structure and phase stability as a function of Li content at the atomistic scale.

py4DSTEM: a software package for multimodal analysis of four-dimensional scanning transmission electron microscopy datasets

1 code implementation • 20 Mar 2020 • Benjamin H Savitzky, Lauren A Hughes, Steven E Zeltmann, Hamish G Brown, Shiteng Zhao, Philipp M Pelz, Edward S Barnard, Jennifer Donohue, Luis Rangel DaCosta, Thomas C. Pekin, Ellis Kennedy, Matthew T Janish, Matthew M Schneider, Patrick Herring, Chirranjeevi Gopal, Abraham Anapolsky, Peter Ercius, Mary Scott, Jim Ciston, Andrew M Minor, Colin Ophus

Scanning transmission electron microscopy (STEM) allows for imaging, diffraction, and spectroscopy of materials on length scales ranging from microns to atoms.

Materials Science Mesoscale and Nanoscale Physics Applied Physics