Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases

Year: 2016

Type: article

Abstract: Metallic glasses attract considerable interest due to their unique combination of superb properties and processability. Predicting their formation from known alloy parameters remains the major hindrance to the discovery of new systems. Here, we propose a descriptor based on the heuristics that structural and energetic 'confusion' obstructs crystalline growth, and demonstrate its validity by experiments on two well-known glass-forming alloy systems. We then develop a robust model for predicting glass formation ability based on the geometrical and energetic features of crystalline phases calculated ab initio in the AFLOW framework. Our findings indicate that the formation of metallic glass phases could be much more common than currently thought, with more than 17% of binary alloy systems potential glass formers. Our approach pinpoints favourable compositions and demonstrates that smart descriptors, based solely on alloy properties available in online repositories, offer the sought-after key for accelerated discovery of metallic glasses.

Source: Nature Communications

DOI: 10.1038/ncomms12315

Authors: Eric Perim, Dongwoo Lee, Yanhui Liu, Cormac Toher, Pan Gong, Yanglin Li, W. Neal Simmons, Ohad Levy, Joost J. Vlassak, Jan Schroers, Stefano Curtarolo

Institutions: Duke University, Harvard University, Yale University

Language: English

Topic: Metallic Glasses and Amorphous Alloys

Subfield: Metals and Alloys

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $6,990

Funders: National Science Foundation, U.S. Department of Defense, Yale University, Harvard University, Office of Naval Research, Division of Materials Research

OpenAlex ID: W2417328420