应用Topas和Eva软件计算纳米材料晶粒尺寸的数值观察

Observation for Crystallite Size of Nanoparticals Calculated by Topas and Eva Software

随着纳米材料科学的发展,材料的晶粒尺寸是科研工作者在研发过程中十分重要的数据。Topas和Eva是两种常用的X-射线衍射数据分析软件,都可以进行晶粒尺寸的计算。选取6种具有代表性的高级晶族和中级晶族纳米材料,通过X-射线衍射仪测试获得衍射谱,分别应用两种软件对6种材料晶粒尺寸进行计算,发现其结果存在一定差异。为了说明计算结果存在差异的原因,本文详细介绍了两种软件计算晶粒尺寸的方法和步骤,并通过比较说明由于两种软件计算方法不同是产生计算结果差异的直接原因,这对于材料科学工作者在进行相关计算时提供了较好的借鉴以及理论依据。

With the development of nanomaterials science,the crystallite size of material is a significant data during research process. Topas and Eva are two common X-ray diffraction data analysis software,which can be carried out the calculation of crystallite size. Six kinds of representative nanoparticals from advanced and intermediated crystal group are selected. The diffraction pattern was obtained by the X-ray diffractometer. The crystallite sizes of the six kinds of nanoparticals were calculated by Topas and Eva software,and the results are different. In order to illustrate the cause of these differences,the paper describes the methods and steps of two software in detail during calculating the crystallite size. By comparing the two methods,the different calculation method between the two kinds of software is the direct cause of the difference for calculation result. This conclusion provides a useful reference and reasonable theoretical basis for material researchers to carry on the related calculations.