Farago Jean, Semenov Alexander, Frey Stefan, Baschnagel Jörg
Institut Charles Sadron, Université de Strasbourg, CNRS UPR 22, 23 rue du Loess, BP 84047, 67034, Strasbourg Cedex 2, France,
Eur Phys J E Soft Matter. 2014 Jun;37(6):2. doi: 10.1140/epje/i2014-14046-9. Epub 2014 Jun 6.
By considering Voronoi tessellations of the configurations of a fluid, we propose two new conserved fields, which provide structural information not fully accounted for by the usual 2-point density correlation functions. One of these fields is scalar and associated with the volume of the Voronoi cell, whereas the other one, termed the "geometric polarisation", is vectorial and related to the local anisotropy of the configurations. We study the static and dynamical properties of these fields in the supercooled regime of a model glass-forming liquid. We show that the geometric polarisation is statically correlated to the force field, but contrary to it develops a plateau regime when the temperature is lowered. This different relaxation is related to the cage effect in glass-forming liquids, which prevents a complete relaxation of the shape of the cage around particle on intermediate time scales.
通过考虑流体构型的Voronoi镶嵌,我们提出了两个新的守恒场,它们提供了通常的两点密度相关函数未完全涵盖的结构信息。其中一个场是标量,与Voronoi胞的体积相关,而另一个场称为“几何极化”,是矢量,与构型的局部各向异性有关。我们研究了这些场在模型玻璃形成液体的过冷区域中的静态和动态性质。我们表明,几何极化与力场存在静态关联,但与之相反的是,当温度降低时它会出现一个平台区。这种不同的弛豫与玻璃形成液体中的笼效应有关,笼效应在中间时间尺度上阻止了粒子周围笼子形状的完全弛豫。