Linking atomic structural defects to mesoscale properties in crystalline solids using graph neural networks

<jats:title>Abstract</jats:title><jats:p>Structural defects are abundant in solids, and vital to the macroscopic materials properties. However, a defect-property linkage typically requires significant efforts from experiments or simulations, and often contains limited information d...

Full description

Bibliographic Details
Main Authors: Yang, Zhenze, Buehler, Markus J
Other Authors: Massachusetts Institute of Technology. Department of Civil and Environmental Engineering
Format: Article
Language:English
Published: Springer Science and Business Media LLC 2023
Online Access:https://hdl.handle.net/1721.1/148573