通过竞争性顺序平衡形成单原子玻璃
Yuan-Chao Hu1, J T Zhai2, Le-Hua Liu3
1Songshan Lake Materials Laboratory, Dongguan, Guangdong, China. yuanchao.hu@sslab.org.cn.
Nature communications
|September 10, 2025
概括
坦坦 (Ta) 和 (Zr) 的结晶率差异源于竞争的排序效应. 在Ta中更强的排序阻碍了结晶,与Zr不同,影响了玻璃形成能力.
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
- 计算化学的计算化学
背景情况:
- 单元系统中的相位转换是基本的,但尚未完全理解.
- 过渡金属如 (Ta) 和 (Zr) 在冷却时通常形成以身体为中心的立方体晶体.
研究的目的:
- 调查Ta和Zr之间的结晶率的显著差异.
- 阐明命令效应和界面能量在控制相变的作用.
主要方法:
- 用大规模的计算机模拟来建模结晶过程.
- 分析的重点是热力学因素,特别是通过预订减少界面能量.
主要成果:
- 塔比Zr表现出更强的竞争性排序效应 (准结晶),导致更慢的结晶.
- 由于缺乏竞争的排序效应,Zr显示出超快速结晶.
- 通过预订来减少界面能量被确定为一个关键的动力驱动因素.
结论:
- 竞争的排序效应,特别是 Ta 中的等级性二面体排序,显著影响结晶动力学.
- 这些发现解释了Ta和Zr形成玻璃的能力不同,以及玻璃状Ta的实验合成.
- 这项研究为玻璃,晶体和准晶体的形成机制提供了基本的见解.
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