Atomic-scale mechanisms of densification in cold-compressed borosilicate glasses

Kuo Hao Lee, Yongjian Yang, Linfeng Ding, Benedikt Ziebarth, Mark J. Davis, John C. Mauro

Research output: Contribution to journalArticlepeer-review

Abstract

Knowledge of the underlying structural response during deformation processes is essential for understanding the macroscopic mechanical response of glass. Here we present results from cold compression-decompression molecular dynamics (MD) simulations of two multicomponent borosilicate glasses, Borofloat®33 (Boro33) and N-BK7® (N-BK7). Our results suggest that the densification of these two borosilicate glasses involves different types of structural changes. The fraction of permanent densification can be correlated to the change in intermediate-range structure. By performing Voronoi analysis, we quantify the contributions to densification from different cation types in these two multicomponent borosilicate glasses, finding that 3-coordinated cations facilitate the densification process. Higher-coordinated cations are relatively stable and can even show a slight expansion in their Voronoi volume.

Original languageEnglish (US)
Pages (from-to)2506-2520
Number of pages15
JournalJournal of the American Ceramic Society
Volume104
Issue number6
DOIs
StateAccepted/In press - 2021

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Materials Chemistry

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