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首页> 外文期刊>Philosophical magazine, B. Physics of condensed matter, electronic, optical, and magnetic properties >Simulation of the glass transition in polymeric systems: evidence for an underlying phase transition?
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Simulation of the glass transition in polymeric systems: evidence for an underlying phase transition?

机译：聚合物体系中玻璃化转变的模拟：潜在的相变证据？

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The bond fluctuation model of polymer chains on sc lattices with an energy that favours long bonds can describe the slowing down of supercooled melts that approach the glass transition in qualitative similarity with various experiments. In this paper we focus on the question of whether there exists a correlation length that increases to large values when the temperature is lowered towards the glass transition. Two types of analysis are presented: firstly density oscillations near hard walls become long range, and the resulting correlation length becomes larger than the gyration radius, secondly oscillations in the pair correlation function in real space also become long range, and a similar correlation length can hence also be deduced in the bulk, without recourse to surface effects. In contrast, a finite-size scaling analysis of the diffusion behaviour of chains in small three-dimensional lattices with periodic boundary conditions does not give evidence for this length, unlike earlier results for the two-dimensional case. [References: 46]
机译：具有有利于长键的能量的sc晶格上聚合物链的键波动模型可以描述在各种实验中定性相似地接近玻璃化转变的过冷熔体的减慢。在本文中，我们关注的问题是，当温度朝着玻璃化转变温度降低时，相关长度是否存在增加到较大值的问题。提出了两种类型的分析：首先，硬壁附近的密度振荡变为大范围，并且所产生的相关长度变得大于回转半径，其次，现实空间中的对相关函数中的振荡也变为较大范围，并且相似的相关长度可以因此，在不依靠表面效果的情况下，也可以推论出其体积。相比之下，与二维情况下的早期结果不同，对具有周期性边界条件的小型三维晶格中链的扩散行为的有限尺寸缩放分析无法提供此长度的证据。 [参考：46]

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