The structural properties of PbF2 by molecular dynamics

被引：3

作者：

Chergui, Y. ^{[1
]}

Nehaoua, N. ^{[1
]}

Telghemti, B. ^{[1
]}

Guemid, S. ^{[1
]}

Deraddji, N. E. ^{[1
]}

Belkhir, H. ^{[1
]}

Mekki, D. E. ^{[1
]}

机构：

[1] Badji Mokhtar Univ, Dept Phys, LESIMS Lab, Annaba 23000, Algeria

来源：

EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS | 2010年 / 51卷 / 02期

关键词：

FLUORIDE GLASSES; SIMULATIONS;

D O I：

10.1051/epjap/2010096

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

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.

引用

页数：7

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