Exhaustive search for novel multicomponent alloys with brute force and machine learning

Abstract We present an algorithm for the high-throughput computational discovery of intermetallic compounds in systems with a large number of components. It is particularly important for high entropy alloys (HEAs), where multiple principal elements can form numerous potential intermetallic compounds...

Full description

Saved in:
Bibliographic Details
Main Authors: Viktoriia Zinkovich, Vadim Sotskov, Alexander Shapeev, Evgeny Podryabinkin
Format: Article
Language:English
Published: Nature Portfolio 2024-11-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01452-x
Tags: Add Tag
No Tags, Be the first to tag this record!