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.

We developed a lattice Boltzmann method coupled with the Oldroyd-B constitutive equation to simulate a viscoelastic fluid. In this work, the flow field of the solvent is solved using an incompressible lattice Boltzmann Bhatnagar-Gross-Krook (BGK) model, while the advection operator of the polymer stress tensor is directly calculated with the help of the particle distribution functions. Specifically, we present a numerical scheme for the advection of the polymer stress tensor through the truncation of second-order Taylor expansion, which does not need to introduce the extra distribution functions and has better numerical accuracy. We consider two types of numerical tests to examine the performance of the presented method, including a two-dimensional (2D) channel flow and the 4:1 contraction problem. Our numerical results for the 2D channel flow agree well with the analytical results and some experimental results reported in the previous studies. Moreover, the numerical results also indicate that the current method can capture some complex rheological behaviors of the 4:1 contraction flow.