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

Publication ,  Journal Article
Perim, E; Lee, D; Liu, Y; Toher, C; Gong, P; Li, Y; Simmons, WN; Levy, O; Vlassak, JJ; Schroers, J; Curtarolo, S
Published in: Nature communications
August 2016

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.

Duke Scholars

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Published In

Nature communications

DOI

EISSN

2041-1723

ISSN

2041-1723

Publication Date

August 2016

Volume

7

Start / End Page

12315
 

Citation

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Perim, E., Lee, D., Liu, Y., Toher, C., Gong, P., Li, Y., … Curtarolo, S. (2016). Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases. Nature Communications, 7, 12315. https://doi.org/10.1038/ncomms12315
Perim, Eric, Dongwoo Lee, Yanhui Liu, Cormac Toher, Pan Gong, Yanglin Li, W Neal Simmons, et al. “Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases.Nature Communications 7 (August 2016): 12315. https://doi.org/10.1038/ncomms12315.
Perim E, Lee D, Liu Y, Toher C, Gong P, Li Y, et al. Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases. Nature communications. 2016 Aug;7:12315.
Perim, Eric, et al. “Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases.Nature Communications, vol. 7, Aug. 2016, p. 12315. Epmc, doi:10.1038/ncomms12315.
Perim E, Lee D, Liu Y, Toher C, Gong P, Li Y, Simmons WN, Levy O, Vlassak JJ, Schroers J, Curtarolo S. Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases. Nature communications. 2016 Aug;7:12315.

Published In

Nature communications

DOI

EISSN

2041-1723

ISSN

2041-1723

Publication Date

August 2016

Volume

7

Start / End Page

12315