碳炔模型中高分子半柔性缠结链的再认识
Revisiting the semi-flexible entangled chains of polymer in the carbyne model
摘要：
对蒙特卡罗碳炔模型进行了修正，研究了半柔性缠结高分子链的玻璃化转变。在考虑硬势的情况下，采用Metropolis算法对单体间的随机轰击进行了监测，而单体的迁移率则受其质量、散射率和温度的影响。我们的模型是能够表明，玻璃化转变温度降低，减少膜厚度和形成的临界空隙在较薄的聚合物有助于玻璃化转变，这是比本体聚合物容易得多。
英文摘要：
The Monte Carlo carbyne model is modified to investigate the glass transition of the semi-flexible entangled polymer chains. The stochastic bombardment between monomers are monitored by Metropolis algorithm with help of the consideration of hard potential while the mobility of monomers is governed by its mass, scattering rate and temperature. Our model is capable to show that the glass transition temperature reduces with decreasing film thickness and the formation of critical voids in the thinner polymer contributing to the glass transition that is much easier than the bulk polymer.
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