Deciphering the medium-range order of zinc phosphate glasses using persistent homology

Yongbao Xiao, Tao Du, Søren Strandskov Sørensen, Zhimin Chen, Qinyuan Zhang, Morten Mattrup Smedskjær*

*Corresponding author for this work

Research output: Contribution to conference without publisher/journalPosterResearchpeer-review

Abstract

Understanding the medium-range (5-20 Å) order (MRO) structure has been a long-standing topic in pinpointing the structure-property correlation of glass materials. In this work, persistent homology (PH) is utilized to decipher the MRO of zinc phosphate (ZP) glasses. The structure of ZP glasses in this study can be well-reproduced with the Pedone potential. Contribution of various MRO features, i.e., loop structure, to the first sharp diffraction peak (FSDP) of ZP glasses can be deconvoluted by using persistent homology. The FSDP of ZP glass is dominated by the loop structure with size > 4. The present research can bring new insights for the MRO structure of glass.
Original languageEnglish
Publication date18 May 2022
Publication statusPublished - 18 May 2022
EventThe International Year of Glass Symposium - Aalborg University, Aalborg, Denmark
Duration: 18 May 202219 May 2022
https://www.danskkeramiskselskab.dk/media/14104/program_march_2022_v2.pdf

Conference

ConferenceThe International Year of Glass Symposium
Location Aalborg University
Country/TerritoryDenmark
CityAalborg
Period18/05/202219/05/2022
Internet address

Keywords

  • Glass structure
  • Persistent homology
  • Zinc phosphate

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