Structural and dynamic properties of vitreous and crystalline barium disilicate: molecular dynamics simulation and Raman scattering experiments

In this paper, we use a molecular dynamics simulation and Raman scattering measurements to study the vibrational and structural characteristics of barium disilicate, BaSi2O5, in vitreous and crystalline states. Our proposed atomic interaction potential describes the structural and dynamic behaviour...

Full description

Saved in:
Bibliographic Details
Published in:Journal of physics. D, Applied physics Applied physics, 2016-11, Vol.49 (43), p.435301
Main Authors: Rodrigues, A M, Rino, J P, Pizani, P S, Zanotto, E D
Format: Article
Language:English
Subjects:
barium disilicate
crystallization
glass
molecular dynamics
Raman scattering
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In this paper, we use a molecular dynamics simulation and Raman scattering measurements to study the vibrational and structural characteristics of barium disilicate, BaSi2O5, in vitreous and crystalline states. Our proposed atomic interaction potential describes the structural and dynamic behaviour of this material very well and can also be used for further extended studies. In addition, Raman spectroscopy enabled validation of the predictions of the potential by comparing the simulated vibrational density of states with the spectrum of the material in its vitreous state. Furthermore, we characterized the kinetics of the crystallization process through in situ Raman measurements as a function of temperature.
ISSN:0022-3727
1361-6463
DOI:10.1088/0022-3727/49/43/435301