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模型玻璃形成液体的非均匀性的空间维度依赖性、斯托克斯-爱因斯坦关系的失效及脆性

Spatial Dimensionality Dependence of Heterogeneity, Breakdown of the Stokes-Einstein Relation, and Fragility of a Model Glass-Forming Liquid.

作者信息

Adhikari Monoj, Karmakar Smarajit, Sastry Srikanth

机构信息

Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkuru Campus, 560064 Bengaluru, India.

TIFR Center for Interdisciplinary Science, Tata Institute of Fundamental Research, 36/P Gopanpally Village, Serilingampally Mandal, RR District, Hyderabad 500075, Telangana India.

出版信息

J Phys Chem B. 2021 Sep 16;125(36):10232-10239. doi: 10.1021/acs.jpcb.1c03887. Epub 2021 Sep 8.

Abstract

We investigate the heterogeneity of dynamics, the breakdown of the Stokes-Einstein relation and fragility in a model glass forming liquid, a binary mixture of soft spheres with a harmonic interaction potential for spatial dimensions from 3 to 8. The dynamical heterogeneity is quantified through the dynamical susceptibility χ and the non-Gaussian parameter α. We find that the fragility, the degree of breakdown of the Stokes-Einstein relation, and the heterogeneity of the dynamics decrease with increasing spatial dimensionality. We briefly describe the dependence of fragility on the density and use it to resolve an apparent inconsistency with previous results.

摘要

我们研究了一种模型玻璃形成液体(具有空间维度从3到8的软球二元混合物和谐波相互作用势)中动力学的非均匀性、斯托克斯-爱因斯坦关系的失效以及脆性。通过动态磁化率χ和非高斯参数α对动态非均匀性进行了量化。我们发现,随着空间维度的增加,脆性、斯托克斯-爱因斯坦关系的失效程度以及动力学的非均匀性都会降低。我们简要描述了脆性对密度的依赖性,并利用它解决了与先前结果明显不一致的问题。

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