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The structural properties of PbF2 by molecular dynamics

Published online by Cambridge University Press:  22 July 2010

Y. Chergui ,
N. Nehaoua ,
B. Telghemti ,
S. Guemid ,
N. E. Deraddji ,
H. Belkhir  and
D. E. Mekki
Y. Chergui*
Affiliation:
Physics Department, LESIMS Laboratory, Badji Mokhtar University, 23000 Annaba, Algeria
N. Nehaoua
Affiliation:
Physics Department, LESIMS Laboratory, Badji Mokhtar University, 23000 Annaba, Algeria
B. Telghemti
Affiliation:
Physics Department, LESIMS Laboratory, Badji Mokhtar University, 23000 Annaba, Algeria
S. Guemid
Affiliation:
Physics Department, LESIMS Laboratory, Badji Mokhtar University, 23000 Annaba, Algeria
N. E. Deraddji
Affiliation:
Physics Department, LESIMS Laboratory, Badji Mokhtar University, 23000 Annaba, Algeria
H. Belkhir
Affiliation:
Physics Department, LESIMS Laboratory, Badji Mokhtar University, 23000 Annaba, Algeria
D. E. Mekki
Affiliation:
Physics Department, LESIMS Laboratory, Badji Mokhtar University, 23000 Annaba, Algeria
*
* [email protected]
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Abstract

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.

Type
Research Article
Information
The European Physical Journal - Applied Physics , Volume 51 , Issue 2 , August 2010 , 20502
Copyright
© EDP Sciences, 2010

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