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

Eric Perim, Dongwoo Lee, Yanhui Liu, Cormac Toher, Pan Gong, Yanglin Li, W. Neal Simmons, Ohad Levy, Joost J. Vlassak, Jan Schroers and Stefano Curtarolo ()
Additional contact information
Eric Perim: Duke University
Dongwoo Lee: School of Engineering and Applied Sciences, Harvard University
Yanhui Liu: Yale University
Cormac Toher: Duke University
Pan Gong: Yale University
Yanglin Li: Yale University
W. Neal Simmons: Duke University
Ohad Levy: Duke University
Joost J. Vlassak: School of Engineering and Applied Sciences, Harvard University
Jan Schroers: Yale University
Stefano Curtarolo: Duke University

Nature Communications, 2016, vol. 7, issue 1, 1-9

Abstract: 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.

Date: 2016
References: Add references at CitEc
Citations:

Downloads: (external link)
https://www.nature.com/articles/ncomms12315 Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:7:y:2016:i:1:d:10.1038_ncomms12315

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/ncomms12315

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().