Generalized Langevin dynamics for single beads in linear elastic networks

We derive generalized Langevin equations (GLEs) for single beads in linear elastic networks. In particular, the derivations of the GLEs are conducted without employing normal modes, resulting in two distinct representations in terms of resistance and mobility kernels. The fluctuation-dissipation relations are also confirmed for both GLEs. Subsequently, we demonstrate that these two representations are interconnected via Laplace transforms. Furthermore, another GLE is derived by utilizing a projection operator method, and it is shown that the equation obtained through the projection scheme is consistent with the GLE with the resistance kernel. As simple examples, the general theory is applied to the Rouse model and the ring polymer, where the GLEs with the resistance and mobility kernels are explicitly derived for arbitrary positions of the tagged bead in these models. Finally, the GLE with the mobility kernel is also derived for the elastic network with hydrodynamic interactions under the pre-averaging approximation.

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Publication Details

Journal
Physical review. E
Published
2024-10-23
DOI
https://doi.org/10.1103/physreve.110.044136
Citations
2
Primary Topic
Diffusion and Search Dynamics
Type
article
Field-Weighted Citation Impact
0.47

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article

Generalized Langevin dynamics for single beads in linear elastic networks

Shuichi Onami, Soya Shinkai, Tomoshige Miyaguchi
2 citations
Physical review. E
Diffusion and Search Dynamics
0.47
article

Generalized Langevin dynamics for single beads in linear elastic networks

Shuichi Onami, Soya Shinkai, Tomoshige Miyaguchi
article en
2 citations

Abstract

We derive generalized Langevin equations (GLEs) for single beads in linear elastic networks. In particular, the derivations of the GLEs are conducted without employing normal modes, resulting in two distinct representations in terms of resistance and mobility kernels. The fluctuation-dissipation relations are also confirmed for both GLEs. Subsequently, we demonstrate that these two representations are interconnected via Laplace transforms. Furthermore, another GLE is derived by utilizing a projection operator method, and it is shown that the equation obtained through the projection scheme is consistent with the GLE with the resistance kernel. As simple examples, the general theory is applied to the Rouse model and the ring polymer, where the GLEs with the resistance and mobility kernels are explicitly derived for arbitrary positions of the tagged bead in these models. Finally, the GLE with the mobility kernel is also derived for the elastic network with hydrodynamic interactions under the pre-averaging approximation.

Physical review. EVol. 110(4)
RIKEN Center for Biosystems Dynamics Research (JP), Wakayama University (JP)
Japan Science and Technology Corporation, Japan Society for the Promotion of Science
Openalex Percentile: Top 34%
Diffusion and Search Dynamics
0.47
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Generalized Langevin dynamics for single beads in linear elastic networks — Shuichi Onami, Soya Shinkai, et al. · Physical review. E (2024) | TGRS Research Map | TGRS