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


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Article Info

DATE

2016-08-02

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

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. More... »

PAGES

12315

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1038/ncomms12315

DOI

http://dx.doi.org/10.1038/ncomms12315

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1010680480

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/27480126


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