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A Phase Field Technique for Modeling and Predicting Flow Induced Crystallization Morphology of Semi-Crystalline Polymers

机译:相场技术用于建模和预测半结晶聚合物的流动诱导结晶形态

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Flow induced crystallization of semi-crystalline polymers is an important issue in polymer science and engineering because the changes in morphology strongly affect the properties of polymer materials. In this study, a phase field technique considering polymer characteristics was established for modeling and predicting the resulting morphologies. The considered crystallization process can be divided into two stages, which are nucleation upon the flow induced structures and subsequent crystal growth after the cessation of flow. Accordingly, the proposed technique consists of two parts which are a flow induced nucleation model based on the calculated information of molecular orientation and stretch, and a phase field crystal growth model upon the oriented nuclei. Two-dimensional simulations are carried out to predict the crystallization morphology of isotactic polystyrene under an injection molding process. The results of these simulations demonstrate that flow affects crystallization morphology mainly by producing oriented nuclei. Specifically, the typical skin-core structures along the thickness direction can be successfully predicted. More importantly, the results reveal that flow plays a dominant part in generating oriented crystal morphologies compared to other parameters, such as anisotropy strength, crystallization temperature, and physical noise.
机译:流动诱导的半结晶聚合物结晶是聚合物科学和工程中的一个重要问题,因为形态的变化强烈影响聚合物材料的性能。在这项研究中,建立了一种考虑聚合物特性的相场技术,用于建模和预测最终的形貌。所考虑的结晶过程可以分为两个阶段,这两个阶段是在流动诱发的结构上成核,以及在流动停止后随后的晶体生长。因此,所提出的技术包括两部分,即基于所计算的分子取向和拉伸信息的流致成核模型,以及基于取向核的相场晶体生长模型。进行了二维模拟,以预测在注塑过程中等规聚苯乙烯的结晶形态。这些模拟的结果表明,流动主要通过产生定向核来影响结晶形态。具体而言,可以成功地预测出沿着厚度方向的典型的皮芯结构。更重要的是,结果表明,与各向异性强度,结晶温度和物理噪声等其他参数相比,流动在生成定向晶体形态中起主要作用。

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