Principles of constructing geometric models of nanoclusters along a tetrahedral line

P. Kononov, I. Kononova, O. Moroz
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Abstract

In connection with the development of new methods of nanotechnology, the article discusses the features of the morphology of nanoobjects that determine the relevance of the modernization of the training of undergraduates in the study of the disciplines «Nanomaterial Science», «Nanotechnology», «Descriptive geometry, engineering and computer graphics» and «Computer modeling». Recently, the concept of «cluster» has become relevant due to the trend in the development of nanomaterials. Such nanomaterials obtained using unconventional growth mechanisms (including oriented attachment) are extremely interesting in the field of electronics, photonics and are of great interest for catalysis. The article considers homoatomic clusters constructed from identical structural units. The desire to minimize energy is expressed in the tendency to the densest arrangement of structural units in the cluster. This allows us to assert that cluster structures with the maximum number of connections per structural unit will be the most stable; that clusters tend to a quasi-spherical shape (i.e., cluster sizes along three Cartesian axes should be close if possible, while dense structures are formed, the surface of which is minimal, and the number of connections is maximum); that clusters with higher symmetry are preferable (identical structural units composing the cluster framework should strive to stay in an indistinguishable state and position from each other). The work applies the knowledge and skills laid down by students in the course of engineering and computer graphics to the study of the patterns of processes in the nanowire on the example of the principles of building nanoclusters along a tetrahedral line using three-dimensional modeling in the Autodesk 3ds Max environment. Visualization and visual representation of geometric images of nanoclusters will allow students to avoid a primitive geometric representation of nanoobjects and will serve as motivation to study other natural science subjects. The content of the article is intended for specialists working in the fields of nanotechnology, solid-state electronics, micro- and nanoelectronics, micro- and nanosystem technology, thin-film sensors.
沿四面体线构建纳米团簇几何模型的原理
结合纳米技术新方法的发展,本文讨论了纳米物体的形态特征,这些特征决定了在“纳米材料科学”、“纳米技术”、“描述几何、工程和计算机图形学”和“计算机建模”等学科中本科生培训现代化的相关性。最近,由于纳米材料的发展趋势,“簇”的概念变得相关。使用非常规生长机制(包括定向附着)获得的这种纳米材料在电子学、光子学领域非常有趣,对催化也很有兴趣。本文考虑由相同结构单元构成的同原子团簇。将能量最小化的愿望表现为趋向于在团簇中最密集地排列结构单元。这使我们可以断言,每个结构单元的连接数最大的簇结构将是最稳定的;集群趋向于准球形(即集群沿三个笛卡尔轴的大小应尽可能接近,同时形成密集的结构,其表面最小,连接数最大);具有更高对称性的集群是更可取的(组成集群框架的相同结构单元应该努力保持彼此之间不可区分的状态和位置)。该工作将学生在工程和计算机图形学课程中所掌握的知识和技能应用于纳米线过程模式的研究,以Autodesk 3ds Max环境中使用三维建模沿四面体线构建纳米团簇的原理为例。纳米团簇几何图像的可视化和可视化表示将使学生避免纳米物体的原始几何表示,并将成为学习其他自然科学学科的动力。这篇文章的内容是为在纳米技术、固态电子学、微和纳米电子学、微和纳米系统技术、薄膜传感器等领域工作的专家准备的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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