Atomic-Scale Mechanisms Of Densification In Cold-Compressed Borosilicate Glasses
JOURNAL OF THE AMERICAN CERAMIC SOCIETY(2021)
摘要
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(R)33 (Boro33) and N-BK7(R) (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.
更多查看译文
关键词
borosilicates, cold compression, densification, glass, modeling, molecular dynamics
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要