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  • 标题:Laser-induced structural modification in calcium aluminosilicate glasses using molecular dynamic simulations
  • 本地全文:下载
  • 作者:Sean Locker ; Sushmit Goyal ; Matthew E. McKenzie
  • 期刊名称:Scientific Reports
  • 电子版ISSN:2045-2322
  • 出版年度:2021
  • 卷号:11
  • DOI:10.1038/s41598-021-88686-7
  • 语种:English
  • 出版社:Springer Nature
  • 摘要:Glass structures of multicomponent oxide systems (CaO–Al 2O 3–SiO 2) are studied using a simulated pulsed laser with molecular dynamics. The short- and intermediate-range order structures revealed a direct correlation between the transformation of Al (IV) to Al (V), regions of increased density following laser processing, inherent reduction in the average T–O–T (T = Al, Si) angle, and associated elongation of the T–O bonding distance. Variable laser pulse energies were simulated across calcium aluminosilicate glasses with high silica content (50–80%) to identify densification trends attributed to composition and laser energy. High-intensity pulsed laser effects on fictive temperature and shockwave promotion are discussed in detail for their role in glass densification. Laser-induced structural changes are found to be highly dependent on pulse energy and glass chemistry.
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