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Al addition on the short and medium range order of CuZrAl metallic glasses
Physica B: Condensed Matter ( IF 2.8 ) Pub Date : 2021-06-28 , DOI: 10.1016/j.physb.2021.413237
Chunyu Han , Weiyu Yang , Yingkun Lan , Minhua Sun

Appropriately addition of Al element can significantly enhance CuZr binary system mechanical properties and glass forming ability (GFA). In this work, the role of minor addition of Al atoms in CuZrAl metallic glasses is investigated by molecular dynamics (MD) simulation. The short and medium range structure of Cu50Zr50 and Cu45Zr50Al5 are systematically investigated from the liquid at 1600 K to amorphous solid at 100 K. Our results show that Al atoms tend to act as the centers of icosahedron (ICO), and it can remarkably increase the fraction of full ICO. More importantly, Al atoms can significantly facilitate the formation of Bergman medium range order, which accounts for the higher GFA of CuZrAl metallic glasses. The enhancement mechanism of Al addition on Bergman MRO can be explained by its adhesive effect on icosahedral clusters.



中文翻译:

铝在CuZrAl金属玻璃中短程序中的添加

适当添加Al元素可以显着提高CuZr二元体系的力学性能和玻璃形成能力(GFA)。在这项工作中,通过分子动力学 (MD) 模拟研究了少量添加 Al 原子在 CuZrAl 金属玻璃中的作用。Cu 50 Zr 50和Cu 45 Zr 50 Al 5 的中短程结构系统地研究了从 1600 K 的液体到 100 K 的无定形固体。我们的结果表明,Al 原子倾向于充当二十面体 (ICO) 的中心,并且可以显着增加完整 ICO 的比例。更重要的是,Al 原子可以显着促进 Bergman 中等范围有序的形成,这是 CuZrAl 金属玻璃具有较高 GFA 的原因。Al添加对Bergman MRO的增强机制可以通过其对二十面体簇的粘附作用来解释。

更新日期:2021-07-04
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