Neutron diffraction study of molten calcium aluminates

被引：11

作者：

Cristiglio, V. ^{[1
,2
]}

Cuello, G. J. ^{[1
,3
,4
]}

Hennet, L. ^{[5
,6
]}

Pozdnyakova, I. ^{[5
,6
]}

Leydier, M. ^{[5
,6
]}

Kozaily, J. ^{[1
]}

Fischer, H. E. ^{[1
]}

Johnson, M. R. ^{[1
]}

Price, D. L. ^{[5
,6
]}

机构：

[1] ILL, F-38042 Grenoble 9, France

[2] SIMAP, F-38042 St Martin Dheres, France

[3] Ikerbasque, Bilbao 48080, Spain

[4] Univ Basque Country, Bilbao 48080, Spain

[5] CEMHTI, F-45071 Orleans 2, France

[6] Univ Orleans, F-45071 Orleans 2, France

来源：

JOURNAL OF NON-CRYSTALLINE SOLIDS | 2010年 / 356卷 / 44-49期

关键词：

Levitation; Liquid; Calcium aluminates; Structure; MOLECULAR-DYNAMICS SIMULATIONS; X-RAY-DIFFRACTION; GLASSES; LIQUID; CAAL2O4;

D O I：

10.1016/j.jnoncrysol.2010.03.027

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

081705 [工业催化]; 082905 [生物质能源与材料];

摘要：

We use the aerodynamic levitation technique combined with CO2 laser heating to study the structure of liquid calcium aluminates using neutron diffraction. We determine the structure factors and corresponding pair correlation functions describing the short-range order in the liquids above the melting points. The combination of the experiments with ab initio molecular dynamics simulations makes possible to get a detailed description of the liquid structure. We find that ordered tetrahedral sites around the Al atoms become more prevalent with increasing CaO concentration, while the Ca atoms present highly distorted environments at all compositions studied. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：2492 / 2496

页数：5

共 24 条

[1]

OPTICAL-PROPERTIES OF HOLLOW CALCIUM ALUMINATE GLASS WAVE-GUIDES [J].