Molecular dynamics simulation for ternary lithium-aluminium-phosphate glass

被引：0
作者：
Rotiu, E. M. [1 ]
Sava, B. A. [1 ]
Elisa, M. [2 ]
机构：
[1] Natl Inst Glass, Bucharest 032258, Romania
[2] Natl Inst Optoelect INOE, Dept Optospintron, RO-77125 Com Magurele, Romania
来源：
OPTOELECTRONICS AND ADVANCED MATERIALS-RAPID COMMUNICATIONS | 2009年 / 3卷 / 10期
关键词：
Molecular dynamics simulation; Phosphate glass; Lithium oxide; Aluminium oxide;
D O I：
暂无
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
P2O5-Al2O3-Li2O vitreous system structure was simulated by molecular dynamic (MD) method. The knowledge of analytical formula of the interaction forces enables, for a limited number of ions, to solve the Newtonian equations, which describe the particles movement. The simulation gives atomic system configuration images, at several temperatures, starting at 3000K, down to 1000K, 700K and 300K temperatures. Information about glass structure was determined by calculation of radial distribution function. The maxima from the radial distribution function represent the most likely distances between two ionic species.
引用
收藏
页码：1050 / 1055
页数：6
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