面部中心的二面体半晶体结构,集群密集包装
Tsunetomo Yamada1, Hiroyuki Takakura2, Akiji Yamamoto3
1Faculty of Advanced Engineering, Department of Applied Physics, Tokyo University of Science, 6-3-1 Niijuku, Katsushika-ku, Tokyo 125-8585, Japan.
提出了一种新的6D结构模型,用于icosahedral准晶体,利用伪麦凯和迷你伯格曼原子集群. 该模型解释了这些复杂材料中的原子结构和局部配置.
科学领域:
- 材料科学 材料科学 材料科学
- 晶体学 晶体学是指结晶学.
- 凝聚物质物理学 凝聚物质物理学
背景情况:
- 圆形半晶体具有复杂的原子结构.
- 之前的模型已经描述了准晶体内的原子集群,例如麦凯和伯格曼类型.
- 接近的晶体为准晶体结构提供了洞察力.
研究的目的:
- 提出面部为中心的六维结构模型的新型六维结构模型.
- 用伪麦凯和迷你伯格曼类型集群来描述原子结构.
- 分析这些星团的排列和局部配置.
主要方法:
- 基于立方近似晶体 (Al69.1Pd22Cr2.1Fe6.8) 的6D结构模型的开发.
- 使用职业域来生成集群中心在一个icosahedral密集的球体包装.
- 模拟职业领域,以解释结构性障碍和阶段翻转.
主要成果:
- 拟议的模型成功地描述了二元半晶体的6D结构.
- 伪麦凯和迷你伯格曼星团覆盖了约99.46%的原子结构.
- 确定了特定数量的局部配置 (伪麦凯15个,迷你伯格曼19个).
结论:
- 6D模型提供了一个全面的框架,用于理解icosahedral准晶体结构.
- 该模型强调了伪麦凯和迷你伯格曼集群在形成准晶体架构中的重要性.
- 结构障碍和阶段翻转是这些准晶体内部局部原子排列的关键因素.
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