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在高压下的 MgO-SiO2 玻璃的结构。

The structure of MgO-SiO2 glasses at elevated pressure.

机构信息

Institute of Mathematical and Physical Sciences, Aberystwyth University, Aberystwyth, UK.

出版信息

J Phys Condens Matter. 2012 Jun 6;24(22):225403. doi: 10.1088/0953-8984/24/22/225403. Epub 2012 May 11.

Abstract

The magnesium silicate system is an important geophysical analogue and neutron diffraction data from glasses formed in this system may also provide an initial framework for understanding the structure-dependent properties of related liquids that are important during planetary formation. Neutron diffraction data collected in situ for a single composition (38 mol% SiO(2)) magnesium silicate glass sample shows local changes in structure as pressure is increased from ambient conditions to 8.6 GPa at ambient temperature. A method for obtaining the fully corrected, total structure factor, S(Q), has been developed that allows accurate structural characterization as this weakly scattering glass sample is compressed. The measured S(Q) data indicate changes in chemical ordering with pressure and the real-space transforms show an increase in Mg-O coordination number and a distortion of the local environment around magnesium ions. We have used reverse Monte Carlo methods to compare the high pressure and ambient pressure structures and also compare the high pressure form with a more silica-poor glass (Mg(2)SiO(4)) that represents the approach to a more dense, void-free and topologically ordered structure. The Mg-O coordination number increases with pressure and we also find that the degree of continuous connectivity of Si-O bonds increases via a collapse of interstices.

摘要

镁硅酸盐体系是一个重要的地球物理模拟体系,并且该体系中形成的玻璃的中子衍射数据也可能为理解行星形成过程中相关液体的结构依赖性性质提供初步框架。原位采集的单一组分(38mol%SiO2)镁硅酸盐玻璃样品的中子衍射数据表明,在环境温度下,压力从环境条件增加到 8.6GPa 时,结构会发生局部变化。已经开发出一种获得完全校正的总结构因子 S(Q)的方法,该方法允许在压缩这个弱散射玻璃样品时进行准确的结构表征。测量的 S(Q)数据表明,化学有序性随压力而变化,实空间变换表明镁氧配位数增加,镁离子周围的局部环境发生扭曲。我们已经使用反向蒙特卡罗方法比较了高压和常压结构,还比较了高压形式与更贫硅的玻璃(Mg2SiO4),后者代表了更密集、无空隙和拓扑有序结构的接近。随着压力的增加,Mg-O 配位数增加,我们还发现 Si-O 键的连续连接程度通过空隙的坍塌而增加。

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