跨学科大学教育结晶模型的3D打印

P. Moeck, W. Kaminsky, Trevor J. Snyder
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引用次数: 2

摘要

分子和晶体结构的晶体学模型,晶体形态学,Bravais晶格,空间和点群对称性,高度局部和扩展晶体缺陷,…都可以用晶体学信息框架(CIF)文件格式进行编码。虽然3D打印已经有至少20年的历史,但成本和性能的改进直到最近才使3D打印实用于大学教育工作者和公众。还有一个行业通用的3D打印标准,即STL文件格式。包括从CIF到STL转换的虚拟现实免费软件程序是公开可用的[1]。近年来,超过25万条目的晶体学开放数据库(Crystallography Open Database, COD)已发展成为世界上最重要的小分子和中小型单胞晶体结构的开放获取资源[2]。COD的国际顾问委员会也支持一个相关的项目[3a],为跨学科的大学教育提供资金。其中三个“COD后代”数据库已经开始提供小分子、晶体形态和晶界的STL文件的免费下载[3b]。这些3D打印文件是直接从这些数据库中的CIFs创建的。现在,有兴趣的大学教育者可以在3D模型的基础上开发新的晶体学教学方法,这些模型可以从这些文件中打印出来。为了促进这一领域的进一步发展,有一个开放获取晶体学资源的门户网站,邀请所有感兴趣的大学教育工作者为其贡献[3c]。
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3D Printing of Crystallographic Models for Interdisciplinary College Education
Crystallographic models of molecule and crystal structures, crystal morphologies, Bravais lattices, space and point group symmetries, highly local and extended crystal defects, ... can all be encoded in the Crystallographic Information Framework (CIF) file format. While 3D printing has been available for at least 20 years, cost and performance improvements have only recently made 3D printing practical for usage by college educators and the general public. There is also an industry wide 3D printing standard, the STL file format. Virtual reality freeware programs that include conversions from CIF to STL are openly available [1]. The more than 250,000 entries Crystallography Open Database (COD) has in recent years developed into the world’s premier open-access source for CIFs of structures of small molecules and small to medium sized unit cell crystals [2]. The International Advisory Board of the COD also supports a related project [3a], which provides CIFs for interdisciplinary college education. Three of these “COD offspring” databases have started to provide for free downloads of STL files of small molecules, crystal morphologies, and grain boundaries [3b]. These 3D printing files were created directly from the CIFs in these databases. It is now up to interested college educators to develop new pedagogy in teaching crystallography on the basis of 3D models that can be printed out from these files. To facilitate further developments in this field, there is a web portal of open-access crystallography resources to which all interested college educators are invited to contribute [3c].
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