MOLECULAR-DYNAMICS CHARACTERIZATION OF MEDIUM-RANGE ORDER IN (AGI)X(AG2O-2B2O3)1-X GLASS

被引：6

作者：

ABRAMO, MC

CACCAMO, C

PIZZIMENTI, G

机构：

[1] Dipartimento di Fisica, Messina Univ.

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1993年 / 5卷 / 04期

关键词：

D O I：

10.1088/0953-8984/5/4/008

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The structural properties of a model (AgI)x(Ag2O-2B2O3)1-x glass are determined through molecular dynamics (MD) simulation. The total neutron diffraction pattern, reconstructed from the MD partial structure factors, shows a peak at low wavevectors (k congruent-to 0.9 angstrom-1) in qualitative agreement with neutron diffraction experimental data for the real glass. The overall analysis of the MD structural information permits us to conclude that the medium-range order observed in the glass is due to correlation of AgI dusters, which coexist with the B2O3 network.

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页码：397 / 406

页数：10

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