二十面体对称
材料科学
非晶态金属
星团(航天器)
无定形固体
结晶学
分子动力学
化学物理
Laves相
合金
金属间化合物
冶金
化学
计算化学
计算机科学
程序设计语言
作者
Kengo Nishio,Anh Khoa Augustin Lu
标识
DOI:10.1016/j.jnoncrysol.2023.122696
摘要
Despite their complex atomic arrangements, previous investigations have uncovered structural features common to various metallic glasses such as dense cluster packings, local icosahedral symmetry or docosahedral clusters. While this has contributed to unraveling the nature of metallic glasses, our understanding of structural commonalities in general remains limited. In this study, we unveil a common structural feature associated with Laves phases by examining two model alloys that can adopt Laves phases. Our molecular dynamics simulations show that glasses made with sufficiently slow cooling rates contain medium-range structures resembling the core of a fivefold twinned crystal that consists of five structural units of MgCu2-type Laves structure. Since Laves phases are commonly found in Cr-, Cu-, Fe-, Mg-, Nb-, Ni-, Ti-, and Zr-based alloys, these medium-range pentagonal structures are expected to be found in a wide range of amorphous materials.
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