Generalized Langevin equation for a tagged monomer in a Gaussian semiflexible polymer

Xavier Durang, Jae-Hyung Jeon
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Abstract

In this study, we present a comprehensive analysis of the motion of a tagged monomer within a Gaussian semiflexible polymer model. We carefully derived the generalized Langevin Equation (GLE) that governs the motion of a tagged central monomer. This derivation involves integrating out all the other degrees of freedom within the polymer chain, thereby yielding an effective description of the viscoelastic motion of the tagged monomer. A critical component of our analysis is the memory kernel that appears in the GLE. By examining this kernel, we characterized the impact of bending rigidity on the non-Markovian diffusion dynamics of the tagged monomer. Furthermore, we calculated the mean-squared displacement of the tagged monomer using the derived GLE. Our results not only show remarkable agreement with previously known results in certain limiting cases but also provide dynamic features over the entire timescale.
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高斯半柔性聚合物中标记单体的广义朗温方程
在本研究中,我们对高斯半柔性聚合物模型中的标记单体运动进行了全面分析。我们仔细推导了支配标记中心单体运动的广义朗文方程(GLE)。这一推导涉及对聚合物链中的所有其他自由度进行积分,从而得出对标记单体粘弹性运动的有效描述。我们分析的一个关键部分是出现在 GLE 中的记忆核。通过研究该记忆核,我们确定了弯曲刚度对标记单体非马尔可夫扩散动力学的影响。此外,我们还利用推导出的 GLE 计算了标记单体的主题位移平方。我们的结果不仅与之前已知的某些极限情况下的结果显著一致,而且还提供了整个时间尺度上的动态特征。
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