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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Heterogeneous slow dynamics and the interaction potential of glass-forming liquids
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Heterogeneous slow dynamics and the interaction potential of glass-forming liquids

机译：异质慢动力学和玻璃形成液体的相互作用潜能

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摘要

The role of the intermolecular interaction potential on the dynamic and thermodynamic properties of model glass-forming mixtures is investigated through molecular dynamics simulations. Variations of the repulsive exponent m in the well-studied Lennard-Jones Kob-Andersen mixture are shown to have a negligible effect on the fragility and dynamic correlation volumes when quenches are performed at constant pressure. The number of dynamically correlated particles, estimated from the temperature derivative of a two-point dynamic correlation function, is approximately invariant to m at any fixed relaxation time. Further, the density scaling property of a model tetrahedral network glass-former, based on inverse power law and Lennard-Jones potentials, is investigated. The optimal scaling exponent γ is close to zero and does not superpose the data well. The breakdown of density scaling is consistent with the absence of correlation between fluctuations of the virial and the potential energy. These results emphasize the crucial role of structural many-body correlations in glass-forming systems and show the need of investigations of more complex and realistic model liquids.
机译：通过分子动力学模拟研究了分子间相互作用势对形成玻璃的混合物的动力学和热力学性质的作用。研究表明，当在恒定压力下进行淬灭时，经过充分研究的Lennard-Jones Kob-Andersen混合物中斥力指数m的变化对脆性和动态相关体积的影响可忽略不计。根据两点动态相关函数的温度导数估算的动态相关粒子的数量在任何固定的弛豫时间都近似等于m。此外，基于逆幂定律和Lennard-Jones势，研究了模型四面体网络玻璃形成器的密度缩放特性。最佳缩放指数γ接近零，并且不能很好地叠加数据。密度标度的分解与病毒体和势能的波动之间不存在相关性是一致的。这些结果强调了结构多体关联在玻璃形成系统中的关键作用，并表明需要研究更复杂和逼真的模型液体。

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