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

Journal Article (Journal Article)

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.

Full Text

Duke Authors

Cited Authors

  • Perim, E; Lee, D; Liu, Y; Toher, C; Gong, P; Li, Y; Simmons, WN; Levy, O; Vlassak, JJ; Schroers, J; Curtarolo, S

Published Date

  • August 2016

Published In

Volume / Issue

  • 7 /

Start / End Page

  • 12315 -

PubMed ID

  • 27480126

Pubmed Central ID

  • PMC4974662

Electronic International Standard Serial Number (EISSN)

  • 2041-1723

International Standard Serial Number (ISSN)

  • 2041-1723

Digital Object Identifier (DOI)

  • 10.1038/ncomms12315


  • eng