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Formation of large-scale icosahedral clusters in a simple liquid approaching the glass transition

机译:在接近玻璃化转变的简单液体中形成大规模的二十面体簇

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摘要

A number of singularities observed in super-cooled liquids approaching the glass transition point are commonly interpreted as indicating spatial heterogeneity. This conjecture assumes that the whole volume is decomposed into structurally distinct domains. In simple super-cooled liquids, the assumed domain structure is usually associated with icosahedral clustering; however, no evidence for growing length scale of icosahedral ordering in a super-cooled liquid has been found so far. We present a molecular dynamics simulation demonstrating formation of extended icosahedral configurations in a simple monatomic liquid approaching the glass transition temperature. An important observation is that these configurations show a tendency for low-dimensional growth. (C) 2001 Elsevier Science B.V. All rights reserved. [References: 18]
机译:在接近玻璃化转变点的过冷液体中观察到的许多奇点通常被解释为指示空间异质性。该推测假设整个体积被分解为结构上不同的域。在简单的过冷液体中,假定的畴结构通常与二十面体团簇有关。然而,迄今为止,尚未发现过冷液体中二十面体有序长度尺度增加的证据。我们提出了分子动力学模拟,证明在接近玻璃化转变温度的简单单原子液体中形成了扩展的二十面体构型。重要的观察结果是这些构型显示出低维生长的趋势。 (C)2001 Elsevier Science B.V.保留所有权利。 [参考:18]

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