在金属玻璃中,中距离的顺序和组成的相关性
Chae Woo Ryu1,2, Takeshi Egami2,3,4
1Department of Materials Science and Engineering, Hongik University, Seoul 04066, South Korea.
The Journal of chemical physics
|June 16, 2025
概括
金属玻璃显示的中距离顺序 (MRO) 独立于当地的化学成分. 配对分布函数中的MRO反映了原子密度波动,而不是详细的局部结构.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 计算材料科学科学 计算材料科学
背景情况:
- 金属玻璃经常显示中距离顺序 (MRO),其特点是原子对分布函数 (PDF) 在第一个峰值之外的振荡.
- MRO是影响金属合金性质的关键结构特征.
研究的目的:
- 为了研究局部化学秩序对二元金属合金玻璃中中程秩序 (MRO) 的影响.
- 了解金属玻璃中组成排序和MRO之间的关系.
主要方法:
- 利用计算模拟来建模各种二元金属合金玻璃.
- 分析了组合解析的对分布函数 (PDF) 和它们的MRO组件.
主要成果:
- 金属玻璃中的组合排序主要局限于最近的邻居原子.
- 金属玻璃中的中距离顺序 (MRO) 在很大程度上不受构成顺序的影响.
- 由于特定元素之间的强烈排斥,可能会出现次要的MRO周期性.
结论:
- PDF中的MRO振荡表明了原子密度的波动,而不是详细的局部原子结构.
- 这些发现表明,金属玻璃中的MRO是一种与密度相关的更一般的现象.
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