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arXiv 1306.2983cond-mat.softcond-mat.stat-mech
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模型玻璃形成器中结构模体的寿命和长度尺度

Lifetimes and Lengthscales of Structural Motifs in a Model Glassformer

Alex Malins, Jens Eggers, Hajime Tanaka, C. Patrick Royall

摘要:

我们使用一种新开发的方法来确定当地的结构图案在一个流行的模型glassformer,Kob-Andersen二元Lennard-Jones混合物。通过测量一个动物园的集群的寿命,我们发现,11元双帽正方形反棱柱,表示为11 A,有更长的平均寿命比其他结构考虑。其他长寿命的星系团在结构上与11 A星系团相似。这些团簇组合成与慢粒子相关的分枝网络,并起到阻滞相邻粒子运动的作用。在我们的分子动力学模拟获得的温度范围内,当系统冷却时,与这些网络相关的结构长度尺度没有动态长度尺度$ξ_4$增长得那么快。因此,我们发现一个强大的,但间接的,静态结构有序和缓慢的动态之间的相关性。

英文摘要:

We use a newly-developed method to identify local structural motifs in a popular model glassformer, the Kob-Andersen binary Lennard-Jones mixture. By measuring the lifetimes of a zoo of clusters, we find that 11-membered bicapped square antiprisms, denoted as 11A, have longer lifetimes on average than other structures considered. Other long-lived clusters are similar in structure to the 11A cluster. These clusters group into ramified networks that are correlated with slow particles and act to retard the motion of neighbouring particles. The structural lengthscale associated with these networks does not grow as fast as the dynamical lengthscale $ξ_4$ as the system is cooled, in the range of temperatures our molecular dynamics simulations access. Thus we find a strong, but indirect, correlation between static structural ordering and slow dynamics.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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