Microscopic Structure Analysis in Disordered Materials using Anomalous X-ray Scattering
Microscopic Structure Analysis in Disordered Materials using Anomalous X-ray Scattering
复制标题
使用反常 X 射线散射对无序材料进行微观结构分析
DOI：
10.1515/zpch-2014-0555
复制
发表时间：
2014
期刊：
影响因子：
--
通讯作者：
W. Pilgrim
中科院分区：
文献类型：
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作者：
J. Stellhorn;S. Hosokawa;W. Pilgrim
摘要 尽管 X 射线衍射仍然主要用于确定晶体结构，但在过去几十年中，了解无序物质中原子排列的需求逐渐变得更加重要。然而，除了简单的模型系统之外，揭示非晶多组分材料中原子的微观有序性仍然是一项具有挑战性的任务，尽管这一知识在现代材料科学中变得越来越重要，其中物理性质通常与物质的不同化学物种的微观有序性相关。本文报道了异常 X 射线散射 (AXS) 与逆蒙特卡罗计算机模拟 (RMC) 的结合，作为一种适当的工具，可以高可靠性地精确确定此类系统的微观结构特征。阐述该方法的基本原理，并给出一些现代材料的例子来证明该方法的适用性和能力。
Abstract Although X-ray diffraction is still mainly used to determine crystal structures, the demand for an understanding of the atomic arrangement in disordered matter has progressively become more important over the past decades. However, apart from simple model systems, it is still a challenging task to unravel the microscopic ordering of the atoms in amorphous multi-component materials, although this knowledge becomes increasingly important in modern materials science, in which the physical properties are often related to the microscopic ordering of the different chemical species of the substance. This article reports about the combination of Anomalous X-ray Scattering (AXS) with Reverse Monte Carlo Computer simulation (RMC) as a proper tool to precisely determine the microscopic structural characteristics in such systems with high reliability. The basic principles of the method will be illustrated and some examples of modern materials will be given to proof the applicability and the capability of this method.