J.M.J van Leeuwen
- Structural modes of a polymer in the repton model
- Journal of Chemical Physics
- Volume | Issue number
- 134 | 15
- Number of pages
- Document type
- Faculty of Science (FNWI)
- Institute for Theoretical Physics Amsterdam (ITFA)
Using extensive computer simulations, the behavior of the structural modes—more precisely,
the eigenmodes of a phantom Rouse polymer—are characterized for a polymer in the three-dimensional repton model and are used to study the polymer dynamics at time scales well before the tube renewal. Although these modes are not the eigenmodes for a polymer in the repton model, we show that numerically the modes maintain a high degree of statistical independence. The correlations in the mode amplitudes decay exponentially with (p/N)^2 A(t), in which p is the mode number, N is the polymer length, and A(t) is a single function shared by all modes. In time, the quantity A(t) causes an exponential decay for the mode amplitude correlation functions for times <1; a stretched exponential with an exponent 1/2 between times 1 and \tau_R ~ N^2, the time-scale for diffusion of tagged reptons along the contour of the polymer; and again an exponential decay for times t > ?R. Having assumed statistical independence and the validity of a single function A(t) for all modes, we compute the temporal behavior of three structural quantities: the vectorial distance between the positions of the middle monomer and the center-of-mass, the end-to-end vector, and the vector connecting two nearby reptons around the middle of the polymer. Furthermore, we study the mean-squared displacement of the center-of-mass and the middle repton, and their relation with the temporal behavior of the modes.
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