A grain boundary embrittlement genome for substitutional cubic alloys

A grain boundary embrittlement genome for substitutional cubic alloys Tuchinda, Nutth; Olson, Gregory B; Schuh, Christopher A Grain boundary chemistry plays a critical role for the properties of metals and alloys, yet there is a lack of consistent datasets for alloy design and development. With the advent of artificial intelligence and machine learning in materials science, open materials models and datasets can be used to overcome such challenges. Here, we use a universal interatomic potential