摘要
利用PowderX软件绘制Y_3Al_5O_(12)粉体的XRD图谱,介绍其用于无机材料化学实验课程;还可根据衍射数据计算晶面指标;利用软件画出的衍射图读取的半峰宽数据,可以计算粉体颗粒粒径。在无机材料化学实验教学中使用PowderX软件,可以直接得到XRD图谱,既免去繁琐的手工绘图,节约了时间,计算中,又可以加深学生理解基础概念和提高应用计算机的技能。
The application of PowderX software in inorganic-material chemistry experiment was introduced through plotting XRD pattern of Y3Al5O12 powder. Data smoothing, background subtraction, α2 elimination, peak search, and indexing all can be finished directly by this software. Also the particle size of nano-sized powder can be calculated conveniently by reading FWHM data from the software. Plotting XRD pattern with the aid of PowderX is quick and simple because of avoiding the input of numerous data and complex calculation. The convenient format conversion function of PowderX can save much valuable time and efforts of the students who write data conversion programs for their works. It is also helpful in understanding of fundamental theory of lattice chemistry.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2009年第10期1345-1348,共4页
Computers and Applied Chemistry
基金
陕西省自然科学基金(2004B31)
陕西省科技攻关项目(2005K 06-G18)
陕西师范大学重点项目
关键词
PowderX软件
无机材料化学实验
应用
PowderX software, inorganic-material chemistry experiment, application
