kobb - andersen二元混合玻璃形成液动力学的交叉

Q1 Physics and Astronomy
Pallabi Das, Srikanth Sastry
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引用次数: 12

摘要

形成玻璃的液体大致分为易碎和坚固两类,这取决于它们的弛豫时间对阿伦尼乌斯行为的偏离。在像水和二氧化硅这样的液体中,以及最近在金属玻璃和相变合金中,观察到或推断出了一种从脆弱到强的交叉,这使得人们期望这种交叉在玻璃形成物中得到更广泛的实现。我们在计算上研究了已经得到充分研究的kobb - andersen模型,获得了远低于模式耦合温度TMCT的温度。我们发现弛豫时间在TMCT周围的动力学中表现出交叉,并讨论了它是否具有脆弱到强交叉的特征。动力学非均质性的几个方面表现出反映动力学交叉的行为,而热力学量则没有。特别是,当包括振动熵的非调和修正时,描述弛豫时间和构型熵之间关系的亚当-吉布斯关系在动态交叉下继续成立。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Crossover in dynamics in the Kob-Andersen binary mixture glass-forming liquid

Glass-forming liquids are broadly classified as being fragile or strong, depending on the deviation from Arrhenius behavior of their relaxation times. A fragile to strong crossover is observed or inferred in liquids like water and silica, and more recently also in metallic glasses and phase change alloys, leading to the expectation that such a crossover is more widely realised among glass formers. We investigate computationally the well-studied Kob-Andersen model, accessing temperatures well below the mode coupling temperature TMCT. We find that relaxation times exhibit a crossover in dynamics around TMCT, and discuss whether it bears characteristics of the fragile to strong crossover. Several aspects of dynamical heterogeneity exhibit behavior mirroring the dynamical crossover, whereas thermodynamic quantities do not. In particular, the Adam-Gibbs relation describing the relation between relaxation times and configurational entropy continues to hold below the dynamical crossover, when anharmonic corrections to the vibrational entropy are included.

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来源期刊
Journal of Non-Crystalline Solids: X
Journal of Non-Crystalline Solids: X Materials Science-Materials Chemistry
CiteScore
3.20
自引率
0.00%
发文量
50
审稿时长
76 days
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