A comparative numerical analysis of liquid silica and germania

被引：18
作者：
Micoulaut, M [1 ]
机构：
[1] Univ Paris 06, Phys Theor Liquides Lab, F-75252 Paris 05, France
来源：
CHEMICAL GEOLOGY | 2004年 / 213卷 / 1-3期
关键词：
comparative numerical analysis; liquid silica; germania;
D O I：
10.1016/j.chemgeo.2004.08.043
中图分类号：
P3 [地球物理学]; P59 [地球化学];
学科分类号：
0708 ; 070902 ;
摘要：
A two-body interatomic potential is used to describe the structural properties of liquid germania and silica by Molecular Dynamics simulation. The results show that the short-range order is identical in the liquid and the glass phase, made of a tetrahedrally connected network while longer range order displays differences with temperature. The most striking difference in thermodynamical behaviour appears to be driven by pressure as illustrated from the simulation of the pressurized amorphous systems. (C) 2004 Published by Elsevier B.V.
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页码：197 / 205
页数：9
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