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A simple model for cooperative and non-exponential processes in non-crystalline polymers

机译:非晶态聚合物中合作和非指数过程的简单模型

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摘要

A quite simple Markov chain model is presented in an attempt to understand several characteristic properties of the structural relaxation in glass-former materials. A second order Markov model is proposed for a small region of the material. Only a few parameters are necessary for the definition of the material in the model equations namely the energy levels accessible to that small region and the transition probabilities between them. The later are considered dependent on the energy levels and the potential barrier heights between them, on temperature, on a reference transition rate parameter and on a cooperativity or memory parameter related to the interaction with the neighbour regions. Isothermal relaxations at different temperatures were simulated with selected values of the model parameters. As a result, non-exponentiality of energy relaxations and its temperature dependence appears directly related to the cooperativity parameter. Markov chain model shows also non-linearity and memory effects, and a transition between two different regimes in the dependence of the relaxation times with temperature.
机译:提出了一个非常简单的马尔可夫链模型,以试图了解玻璃成型材料中结构弛豫的几个特征。针对材料的较小区域,提出了二阶马尔可夫模型。在模型方程式中定义材料仅需要几个参数,即该小区域可访问的能级以及它们之间的转移概率。后者被认为取决于能级和它们之间的势垒高度,温度,参考跃迁速率参数以及与邻近区域相互作用有关的协同性或记忆参数。使用选定的模型参数值模拟了不同温度下的等温松弛。结果,能量弛豫的非指数性及其对温度的依赖性似乎与协同性参数直接相关。马尔可夫链模型还显示了非线性和记忆效应,并且根据弛豫时间与温度的关系在两个不同状态之间进行了过渡。

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