Atomic dynamics of alumina melt: A molecular dynamics simulation study

被引：0

作者：

Jahn, S. ^{[1
]}

Madden, P. A. ^{[2
]}

机构：

[1] Geoforschungszentrum Potsdam, Dept 4, D-14473 Potsdam, Germany

[2] Univ Edinburgh, Dept Chem, Edinburgh EH9 3JJ, Midlothian, Scotland

来源：

CONDENSED MATTER PHYSICS | 2008年 / 11卷 / 01期

关键词：

molecular dynamics; collective dynamics; liquid; viscosity; relaxation time; alumina;

D O I：

暂无

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The atomic dynamics of Al2O3 melt are studied by molecular dynamics simulation. The particle interactions are described by an advanced ionic interaction model that includes polarization effects and ionic shape deformations. The model has been shown to reproduce accurately the static structure factors S(Q) from neutron and x-ray diffraction and the dynamic structure factor S(Q, w) from inelastic x-ray scattering. Analysis of the partial dynamic structure factors shows inelastic features in the spectra up to momentum transfers, Q, close to the principal peaks of partial static structure factors. The broadening of the Brillouin line widths is discussed in terms of a frequency dependent viscosity eta(w).

引用

页码：169 / 178

页数：10

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