聚乙烯热塑性行为的多尺度多面本构模型
A Multiscale Multisurface Constitutive Model for The Thermo-Plastic Behavior of Polyethylene
摘要：
本文提出了一个多尺度模型，将长度和时间尺度从分子水平连接到连续水平，目的是预测无定形玻璃态聚乙烯（PE）的屈服行为。本构参数是从分子动力学（MD）模拟，减少了对特设实验的要求。因此，我们实现：（1）多面屈服函数的识别;（2）通过准静态模拟将MD模拟中涉及的高应变率升级到连续体。验证表明，整个多表面屈服函数可以缩放到准静态率，其中屈服应力可能由建议的缩放律预测;（3）分层多尺度模型的构建，以预测温度和应变率相关的屈服强度的PE。
英文摘要：
We present a multiscale model bridging length and time scales from molecular to continuum levels with the objective of predicting the yield behavior of amorphous glassy polyethylene (PE). Constitutive parameters are obtained from molecular dynamics (MD) simulations, decreasing the requirement for ad-hoc experiments. Consequently, we achieve: (1) the identification of multisurface yield functions; (2) the high strain rate involved in MD simulations is upscaled to continuum via quasi-static simulations. Validation demonstrates that the entire multisurface yield functions can be scaled to quasi-static rates where the yield stresses are possibly predicted by a proposed scaling law; (3) a hierarchical multiscale model is constructed to predict temperature and strain rate dependent yield strength of the PE.
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