Structure of liquid GeO2 from a computer simulation model
Author
dc.contributor.author
Gutiérrez Gallardo, Gonzalo
Author
dc.contributor.author
Rogan Castillo, José
Admission date
dc.date.accessioned
2018-12-20T14:11:44Z
Available date
dc.date.available
2018-12-20T14:11:44Z
Publication date
dc.date.issued
2004
Cita de ítem
dc.identifier.citation
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Volumen 69, Issue 3 1, 2018,
Identifier
dc.identifier.issn
1063651X
Identifier
dc.identifier.other
10.1103/PhysRevE.69.031201
Identifier
dc.identifier.uri
https://repositorio.uchile.cl/handle/2250/154621
Abstract
dc.description.abstract
The structural properties of liquid GeO2 were investigated using molecular dynamics simulation. A comparison of the obtained pair correlation functions, coordination number, angular distribution, and both the neutron and x-ray static structure with those of liquid silica was presented. It was found that in the liquid state the short range order was dominated by the presence of slightly distorted Ge(O1/2)4 tetrahedra. The results of simulation of systems at higher densities indicated a volume collapse in the pressure-volume curve in the range 4-8 GPa, which suggested the possibility of liquid-liquid phase transition to occur.