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Icosahedral Medium-Range Orders and Backbone Formation in an Amorphous Alloy

机译:非晶态合金的二十面体中程有序和骨干形成

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摘要

Analyses of metallic amorphous solids constructed using molecular dynamics (MD) simulations have dem-onstrated that individual short-range orders (SROs) are linked with neighboring SROs and form various medium-range orders (MROs). These MROs have been observed to have different structural stability depending on their linking patterns. On the basis of the assessment of the structural stability of various MROs, we propose new types of structural organization, namely, icosahedral medium-range orders (I-MROs) and their extended-range order that forms the backbone of amorphous solids. We also discuss why the atomic-scale structure of an amorphous alloy can be more appropriately described in terms of I-MROs, rather than by the degree of short-range ordering as characterized by the fractions of SROs.
机译:使用分子动力学(MD)模拟构建的金属非晶态固体分析表明,单个短程有序(SRO)与相邻的SRO相连并形成各种中程有序(MRO)。根据它们的连接方式,已经观察到这些MRO具有不同的结构稳定性。在评估各种MRO的结构稳定性的基础上,我们提出了新型的结构组织,即二十面体中程有序(I-MRO)及其形成无定形固体骨架的扩展范围有序。我们还讨论了为什么可以用I-MRO而不是用SRO分数所表征的短程有序度来更恰当地描述非晶态合金的原子尺度结构。

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