You are in the accessibility menu

Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/37995
Title: 
Molecular dynamics simulations on devitrification: the PbF2 case
Author(s): 
Institution: 
  • Univ Angers
  • Universidade Estadual Paulista (UNESP)
ISSN: 
0021-9606
Abstract: 
In this work molecular dynamics simulations were performed to reproduce the kinetic and thermodynamic transformations occurring during melt crystallization, vitrification, and glass crystallization (devitrification) of PbF2. Two potential parameters were analyzed in order to access the possibility of modeling these properties. These interionic potentials are models developed to describe specific characteristic of PbF2, and thermodynamic properties were well reproduced by one of them, while the other proved well adapted to simulate the crystalline structure of this fluoride. By a modeled nonisothermal heat treatment of the glass, it was shown that the devitrification of a cubic structure in which the Pb-Pb distances are in good agreement with theory and experiment. (C) 2002 American Institute of Physics.
Issue Date: 
15-Sep-2002
Citation: 
Journal of Chemical Physics. Melville: Amer Inst Physics, v. 117, n. 11, p. 5366-5372, 2002.
Time Duration: 
5366-5372
Publisher: 
American Institute of Physics (AIP)
Source: 
http://dx.doi.org/10.1063/1.1501119
URI: 
Access Rights: 
Acesso restrito
Type: 
outro
Source:
http://repositorio.unesp.br/handle/11449/37995
Appears in Collections:Artigos, TCCs, Teses e Dissertações da Unesp

There are no files associated with this item.
 

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.