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Comparison among Multi-Chain Simulations for Entangled Polymers under Fast Shear

机译:快速剪切下缠结聚合物的多链模拟的比较

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Due to the slow relaxation nature of polymers, attempts for the development of multi-scale simulations have been made towards the optimization of material processing concerning the molecular characteristics. However, transferability among the utilized models has not been frequently discussed. In this study, a few multi-chain simulations for entangled polymers were compared for the viscosity growth curve under fast shear flows. The multi-chain slip-spring (MCSS) simulations and the multi-chain slip-link simulations (also known as primitive chain network (PCN) simulations) were performed, and the results were compared to the data reported by Cao and Likhtman for the bead-spring model proposed by Kremer and Grest. The conversion parameters for the unit of time and stress were determined from the comparison for the linear viscoelasticity, for which the tree models are essentially transferrable. The obtained viscosity growth curve for the MCSS simulations was in good agreement with that reported for the bead-spring simulations, including the viscosity overshoot. For the PCN simulations, the magnitude of viscosity overshoot was underestimated, whereas the steady state viscosity was reasonably captured. The results demonstrate that the multi-scale strategy by the examined models would work in a certain extent.
机译:由于聚合物的缓慢放松性质,多尺度模拟的发展,已经尝试对材料的处理有关的分子特性的优化。然而,利用模型之间转让尚未经常讨论。在这项研究中,缠结聚合物几个多链模拟下快速剪切流的粘度的生长曲线进行比较。多链滑动弹簧(MCSS)模拟和多链滑移链路模拟(也称为原始链网络(PCN)的模拟)进行,并将结果进行比较,以所述数据为所报告的Cao和Likhtman通过克莱默和Grest提出珠弹簧模型。的时间和压力的单元中的转换参数是从用于线性粘弹性,为此,树模型基本上是可转移的比较来确定。用于MCSS模拟所获得的粘度生长曲线与所报道的胎圈弹簧模拟,包括粘度过冲吻合良好。对于PCN模拟,粘度过冲的幅度被低估,而稳定状态的粘度合理捕获。结果表明,被检测车型的多尺度战略将在一定程度上工作。

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