Microstructure of lead silicate melt under compression: insight from computer simulation

Normal to abnormal behavior of PbSiO3 glass: A vibrational spectroscopy investigation under high-pressure

“…To the best of our knowledge, there are no previous in-situ spectroscopic investigations of lead silicate glass under pressure to aid in building a structural description. High-density MD simulations conducted on lead silicate glass and melts indicate the presence of highly coordinated Pb and Si polyhedra [42,43,56,57]. These studies for the melt also appoint to lack of deformation to silicon polyhedra, as the Si-O bond lengths and angles are almost unaffected [56,57], whereas the local arrangement around Pb is strongly pressure-dependent [57].…”

“…High-density MD simulations conducted on lead silicate glass and melts indicate the presence of highly coordinated Pb and Si polyhedra [42,43,56,57]. These studies for the melt also appoint to lack of deformation to silicon polyhedra, as the Si-O bond lengths and angles are almost unaffected [56,57], whereas the local arrangement around Pb is strongly pressure-dependent [57]. In other words, these simulations indicate that Pb polyhedra are likely more deformable than Si polyhedra in response to high-pressure.…”