论文标题
具有各种滑动密度的多链滑动模拟
Multi-chain slip-spring simulations with various slip-spring densities
论文作者
论文摘要
尽管已经确定多链滑动（MCS）模型可以再现纠缠的聚合物动力学，但模型参数的效果尚未完全阐明。在这项研究中，我们系统地研究了滑动密度的影响。对于扩散和线性粘弹性，模拟结果表现出普遍性。也就是说，通过各种滑动密度的模拟的结果可以通过每个链的珠子数，长度，时间单位和模量的珠子数的转换因子相互叠加。扩散和粘弹性与标准珠弹簧模拟的文献数据（包括分子量依赖性）非常吻合。如果滑动密度不高，具有各种滑动密度的MCS模拟之间的通用性也保持在温和的剪切下。结果表明，MCSS模型的粗粒度水平可以任意选择为Rouse模型。
Although it has been established that the multi-chain slip-spring (MCSS) model can reproduce entangled polymer dynamics, the effects of model parameters have not been fully elucidated yet. In this study, we systematically investigated the effects of slip-spring density. For the diffusion and the linear viscoelasticity, the simulation results exhibited universality. Namely, the results from the simulations with various slip-spring densities can be superposed with each other by the conversion factors for the bead number per chain, unit of length, unit of time, and modulus. The diffusion and the viscoelasticity were in good agreement with the literature data for the standard bead-spring simulations, including the molecular weight dependence. The universality among the MCSS simulations with various slip-spring density also held under mild shear if the slip-spring density was not significantly high. The results imply that the level of coarse-graining for the MCSS model can be arbitrarily chosen as in the Rouse model.
