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Structural disorder in metallic glass-forming liquids

机译:金属玻璃形成液中的结构紊乱

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We investigated structural disorder by a new structural parameter, quasi-nearest atom (QNA), in atomistic configurations of eight metallic glass-forming systems generated through molecular dynamics simulations at various temperatures. Structural analysis reveals that the scaled distribution of the number of QNA appears to be an universal property of metallic liquids and the spatial distribution of the number of QNA displays to be clearly heterogeneous. Furthermore, the new parameter can be directly correlated with potential energy and structural relaxation at the atomic level. Some straightforward relationships between QNA and other properties (per-atom potential energy and α-relaxation time) are introduced to reflect structure-property relationship in metallic liquids. We believe that the new structural parameter can well reflect structure disorder in metallic liquids and play an important role in understanding various properties in metallic liquids.
机译:我们通过在不同温度下通过分子动力学模拟生成的八个金属玻璃形成系统的原子构型,通过新的结构参数准最近原子(QNA)研究了结构无序。结构分析表明,QNA数量的比例分布似乎是金属液体的普遍性质,而QNA数量的空间分布显然是异质的。此外,新参数可以直接与原子级的势能和结构弛豫相关。引入了QNA与其他性质(每个原子的势能和α弛豫时间)之间的一些直接关系,以反映金属液体中的结构性质关系。我们认为,新的结构参数可以很好地反映金属液体中的结构紊乱,并在理解金属液体的各种特性方面起着重要作用。

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