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二维硬椭圆流体中增强的平移扩散的结构起源。

Structural origin of enhanced translational diffusion in two-dimensional hard-ellipse fluids.

作者信息

Davatolhagh S, Foroozan S

机构信息

Department of Physics, College of Sciences, Shiraz University, Shiraz 71454, Iran.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Jun;85(6 Pt 1):061707. doi: 10.1103/PhysRevE.85.061707. Epub 2012 Jun 20.

DOI:10.1103/PhysRevE.85.061707
PMID:23005114
Abstract

The static correlations and diffusive dynamics of hard ellipses are investigated in the isotropic and nematic phases by Monte Carlo simulation. In particular, an enhancement of the translational diffusion with respect to the rotational diffusion is observed at an onset concentration φ_{on} within the isotropic phase, which is explained in terms of the formation of unstable nematic-like regions with a mean lifetime that exceeds the characteristic time of diffusion at φ_{on}. The relevance to the onset of spatially heterogeneous dynamics in supercooled glass-forming liquids is discussed.

摘要

通过蒙特卡罗模拟研究了硬椭圆体在各向同性相和向列相中的静态关联和扩散动力学。特别地,在各向同性相内的起始浓度φₒₙ处观察到平动扩散相对于转动扩散的增强,这可以用具有超过φₒₙ处扩散特征时间的平均寿命的不稳定向列状区域的形成来解释。讨论了其与过冷玻璃形成液体中空间非均匀动力学起始的相关性。

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