Pressure-induced structural changes in liquid SiO2 from ab initio simulations

Andrea Trave, Paul Tangney, Sandro Scandolo, Alfredo Pasquarello, Roberto Car

Research output: Contribution to journalArticlepeer-review

89 Scopus citations


The pressure-induced structural changes in liquid SiO2 from Ab Initio simulations were discussed. It was found that the liquid SiO2 became denser than quartz at a pressure of about 6 GPa in agreement with extrapolations of lower pressure experimental data. The analysis showed that the changes consist in an increase of network connectivity caused by the pressure-induced appearance of coordination defects.

Original languageEnglish (US)
Article number245504
Pages (from-to)2455041-2455044
Number of pages4
JournalPhysical review letters
Issue number24
StatePublished - Dec 9 2002

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy


Dive into the research topics of 'Pressure-induced structural changes in liquid SiO2 from ab initio simulations'. Together they form a unique fingerprint.

Cite this