应用GSAS-Ⅱ软件强化材料分析学理论和实验课教学融合
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摘要
晶体学和衍射学是材料工程类专业所必学的材料分析学课程的重要组成部分,其具有综合性强、与科研和产业化开发的联系紧密的特点。基于有关新型工程教育的若干理念,我们引入了新型的结晶学分析程序GSAS-Ⅱ用于辅助X射线衍射技术和结晶学等内容的教学。通过在上述教学过程中应用GSAS-Ⅱ程序的各种衍射图谱模拟功能和绘图功能,能够明显强化学生将分析学基础知识运用于分析物质衍射特性的水平,也提高了他们对于相关的学科前沿的兴趣。
Wide spread of contents of crystallography and diffraction studies can be found in curriculum of Materials Analysis in various Materials Engineering specialty classes so far,and for which important aspects can be drawn,such as highly comprehensiveness and important relations between such contents and real-life researches and development of industrialization. Based upon some ideas coming from relative new engineering educations,newly developed GSAS-Ⅱcrystallographic software package was introduced for the assistance of the teaching process of X-ray diffraction and crystallography. From such teaching process combined with the performances of the pattern simulation in various conditions and structure drawing of this program suite,obvious enhancement of the level can be obtained for the application of the fundamental knowledges of analytics to the diffraction analysis of matters for students,and interests for the relative frontiers for our students can be hatched and promoted.
Wide spread of contents of crystallography and diffraction studies can be found in curriculum of Materials Analysis in various Materials Engineering specialty classes so far,and for which important aspects can be drawn,such as highly comprehensiveness and important relations between such contents and real-life researches and development of industrialization. Based upon some ideas coming from relative new engineering educations,newly developed GSAS-Ⅱcrystallographic software package was introduced for the assistance of the teaching process of X-ray diffraction and crystallography. From such teaching process combined with the performances of the pattern simulation in various conditions and structure drawing of this program suite,obvious enhancement of the level can be obtained for the application of the fundamental knowledges of analytics to the diffraction analysis of matters for students,and interests for the relative frontiers for our students can be hatched and promoted.
引文
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[12]Dai Y,Guo T,Pei X M,et al. Effects of MCAS glass additives on dielectric properties of Al2O3-Ti O2ceramics[J]. Mater Sci Eng,2008,475(1-2):76-80.
[2]李凌云,于岩.晶体模拟软件及单晶定向仪联用开展晶体结构实验教学[J].实验技术与管理,2017,34(12):150-154.
[3]朱纯. VESTA三维显示软件在结构化学晶体结构教学中的应用[J].广东化工,2016,43(14):304.
[4]陆筑凤.改革教学方法,提高扫描电镜实验教学效果[J].高分子通报,2016(3):77-82.
[5]钟登华.新工科建设的内涵与行动[J].高等工程教育研究,2017(3):1-6.
[6]Toby B H,Von Dreele R B. GSAS-Ⅱ:the genesis of a modern opensource all purpose crystallography software package[J]. J Appl Cryst,2013,46:544-549.
[7]李金.自学Python——编程基础、科学计算及数据分析[M].北京:机械工业出版社,2017:1-11.
[8]杜春晓,Fabil Nelli. Python数据分析实战[M].北京:人民邮电出版社,2016:12-31.
[9]Bukalov S S,Leites L A,Aysin R R,et al. The structure and phase transitions of crystalline polydimethylsilane[Me2Si]nrevisited[J].Russ Chem Bull Int Ed,2014,63(11):2515-2526.
[10]Santoro M,Scelta D,Dziubek K,et al. Synthesis of 1D Polymer/Zeolite Nanocomposites under High Pressure[J]. Chem Mater,2016,28(11):4065-4071.
[11]Udagawa A,Johnston P,Sakon A,et al. Crystal-to-crystal photoreversible polymerization mechanism of bis-thymine derivative[J].RSC Adv,2016(6):107317-107322.
[12]Dai Y,Guo T,Pei X M,et al. Effects of MCAS glass additives on dielectric properties of Al2O3-Ti O2ceramics[J]. Mater Sci Eng,2008,475(1-2):76-80.