## Abstract

Relaxation and self-diffusion of a polymer chain in a melt are discussed on the basis of the results of our recent Monte Carlo simulations of the bond fluctuation model, where only the excluded volume interaction is considered. Polymer chains are located on an L × L × L simple cubic lattice under periodic boundary conditions. Each chain consists of N segments, each of which occupies 2×2×2 unit cells. The results for N = 32,48,64,96,128,192,256,384 and 512 at the volume fraction φ ≈ 0.5 are examined, where L- 128 for N ≤ 256 and L= 192 for N ≥ 384. The longest relaxation time τ is estimated by solving generalized eigenvalue problems for the equilibrium time correlation matrices of the positions of segments of a polymer chain. The self-diffusion constant D is estimated from the mean square displacements of the center of mass of a single polymer chain at the times larger than τ. From the data for N = 256, 384 and 512, the apparent exponents x _{r} and x_{d}, which describe the power law dependences of τ and D on N as τ ∝ N^{xr} and D ∝ N^{xd}, are estimated to be x_{r} ≈ 3.5 and x_{d} ≈ 2.4, respectively. For N = 192,256, 384 and 512, Dτ/〈R_{e} ^{2}〉 appears to be a constant, where 〈R_{e} ^{2}〉 denotes the mean square end-to-end distance of a polymer chain.

Original language | English |
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Title of host publication | Slow Dynamics in Complex Systems |

Subtitle of host publication | 3rd International Symposium on Slow Dynamics in Complex Systems |

Publisher | American Institute of Physics Inc. |

Pages | 279-280 |

Number of pages | 2 |

Volume | 708 |

ISBN (Electronic) | 0735401837 |

DOIs | |

Publication status | Published - 2004 Apr 30 |

Event | 3rd International Symposium on Slow Dynamics in Complex Systems - Sendai, Japan Duration: 2003 Nov 3 → 2003 Nov 8 |

### Other

Other | 3rd International Symposium on Slow Dynamics in Complex Systems |
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Country/Territory | Japan |

City | Sendai |

Period | 03/11/3 → 03/11/8 |

## ASJC Scopus subject areas

- General Physics and Astronomy