The structural properties of PbF2 by molecular dynamics
Physics Department, LESIMS Laboratory, Badji Mokhtar University, 23000 Annaba, Algeria
Corresponding author: * email@example.com
Revised: 18 October 2009
Accepted: 31 May 2010
Published online: 22 July 2010
This work presents the use of molecular dynamics (MD) and the code of Dl_Poly, in order to study the structure of fluoride glass after melting and quenching. We are realized the processing phase liquid-phase, simulating rapid quenching at different speeds to see the effect of quenching rate on the operation of the devitrification. This technique of simulation has become a powerful tool for investigating the microscopic behaviour of matter as well as for calculating macroscopic observable quantities. As basic results, we calculated the interatomic distance, angles and statistics, which help us to know the geometric form and the structure of PbF2. These results are in experimental agreement to those reported in literature.
© EDP Sciences, 2010