## Abstract

The relaxation of a single knotted ring polymer is studied by Brownian dynamics simulations. The relaxation rate λ_{q} for the wave number q is estimated by the least square fit of the equilibrium time-displaced correlation function Ĉ_{q}(t) = N^{-1} ∑_{i}∑_{j}(1/3)(R_{i}(t) · R _{j}(0)) exp[i2πq(j - i)/N] to a double exponential decay at long times. Here, N is the number of segments of a ring polymer and R_{i} denotes the position of the ith segment relative to the center of mass of the polymer. The relaxation rate distribution of a single ring polymer with the trivial knot appears to behave as λ_{q} ≃ A(1/N)^{x} for q = 1 and λ_{q} ≃ A′(q/N)^{x′} for q > 1, where x ≃ 2:10, x′ ≃ 2:17, and A < A′. These exponents are similar to that found for a linear polymer chain. The topological effect appears as the separation of the power law dependences for q = 1 and q > 1, which does not appear for a linear polymer chain. In the case of the trefoil knot, the relaxation rate distribution appears to behave as λ_{q} ≃ A(1/N)^{x} for q = 1 and λ_{q} ≃ A′(q/N)^{x}′ for q = 2 and 3, where x ≃ 2.61, x′ ≃ 2:02, and A > A′. The wave number q of the slowest relaxation rate λ_{q} for each N is given by q = 2 for small values of N, while it is given by q = 1 for large values of N. This crossover corresponds to the change of the structure of the ring polymer caused by the localization of the knotted part to a part of the ring polymer.

Original language | English |
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Article number | 034001 |

Journal | Journal of the Physical Society of Japan |

Volume | 77 |

Issue number | 3 |

DOIs | |

Publication status | Published - 2008 Mar |

Externally published | Yes |

## Keywords

- Brownian dynamics simulations
- Knot
- Relaxation modes
- Relaxation rates
- Ring polymer
- Single polymer
- Topological effects

## ASJC Scopus subject areas

- General Physics and Astronomy