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

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 theoretical findings were corroborated by the Langevin dynamics simulation and scaling theory. 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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Publication Details

Journal
The Journal of Chemical Physics
Published
2024-12-26
DOI
https://doi.org/10.1063/5.0229919
Citations
2
Primary Topic
Material Dynamics and Properties
Type
article
Field-Weighted Citation Impact
0.23

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article

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

Xavier Durang, Chan Seok Lim, Jae‐Hyung Jeon
2 citations
The Journal of Chemical Physics
Material Dynamics and Properties
0.23
article

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

Xavier Durang, Chan Seok Lim, Jae‐Hyung Jeon
article en
2 citations

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 theoretical findings were corroborated by the Langevin dynamics simulation and scaling theory. Our results not only show remarkable agreement with previously known results in certain limiting cases but also provide dynamic features over the entire timescale.

The Journal of Chemical PhysicsVol. 161(24)
Pohang University of Science and Technology (KR), Korea Institute for Advanced Study (KR), Asia Pacific Center for Theoretical Physics (KR)
National Research Foundation of Korea
Peace, Justice and strong institutions
Openalex Percentile: Top 49%
Material Dynamics and Properties
0.23
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