An atomistic survey of shear coupling in asymmetric tilt grain boundaries and interpretation using the disconnections framework
Published: 13 March 2024| Version 1 | DOI: 10.17632/vxkg8tz8kh.1
Contributors:
Himanshu Joshi, , , Description
This data repository consists of coupling factor and stress data for 244 ATGBs studied. It consists of 2 folders : Stress Data Coupling factor Data
Files
Steps to reproduce
This data was captured by conducting extensive Molecular Dynamics simulations for the ATGBs listed in the paper. The details of setting up the simulation and post processing are included in the paper as well.
Institutions
University of Illinois at Urbana-Champaign, University of Iowa, Los Alamos National Laboratory
Categories
Molecular Dynamics Study, Grain Boundary, Grain Boundary Characterization
Funding
U.S. National Science Foundation
NFS-MOMS-2239734
U.S. National Science Foundation
MOMS-214216