| Full text | |
| Author(s): |
Rodrigues, A. M.
;
Rino, J. P.
;
Pizani, P. S.
;
Zanotto, E. D.
Total Authors: 4
|
| Document type: | Journal article |
| Source: | JOURNAL OF PHYSICS D-APPLIED PHYSICS; v. 49, n. 43 NOV 2 2016. |
| Web of Science Citations: | 5 |
| Abstract | |
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. (AU) | |
| FAPESP's process: | 13/07793-6 - CEPIV - Center for Teaching, Research and Innovation in Glass |
| Grantee: | Edgar Dutra Zanotto |
| Support Opportunities: | Research Grants - Research, Innovation and Dissemination Centers - RIDC |