English

AFLOW for alloys

Materials Science 2023-10-26 v1

Abstract

Many different types of phases can form within alloys, from highly-ordered intermetallic compounds, to structurally-ordered but chemically-disordered solid solutions, and structurally-disordered (i.e. amorphous) metallic glasses. The different types of phases display very different properties, so predicting phase formation is important for understanding how materials will behave. Here, we review how first-principles data from the AFLOW repository and the aflow++ software can be used to predict phase formation in alloys, and describe some general trends that can be deduced from the data, particularly with respect to the importance of disorder and entropy in multicomponent systems.

Keywords

Cite

@article{arxiv.2310.16769,
  title  = {AFLOW for alloys},
  author = {Cormac Toher and Stefano Curtarolo},
  journal= {arXiv preprint arXiv:2310.16769},
  year   = {2023}
}

Comments

Small AFLOW review submitted to special issue. 6 pages, 4 pictures

R2 v1 2026-06-28T13:01:47.985Z