Abstract
ABSTRACT We perform a simulation of the structural transition and structural heterogeneity (SH) in silica glass at 500 K, in the range 0–100 GPa. Topological analysis is performed based on the basic units and transition of Oxx and Oxy atoms (x, y = 4, 5, 6). The result indicates that the structure of silica glass comprises D4, D5 or D6 domain, depending on pressure. In the range 5–20 GPa, silica glass occurs structural transformation from D4 to D6 domain. Upon compression, structural transition is accompanied with the Oxx→Oxy transition which includes two parallel processes: merging and splitting of domains which relate to the change of BD atoms. The SH is considered by means of the link-cluster function. We found that at pressure below 5 and beyond 20 GPa, SiOx units are non-uniformly distributed in the space. In contrast, they are uniformly distributed in the range 5–20 GPa.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
