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Preprint	P.S. Stephanou, C. Baig, G. Tsolou, V.G. Mavrantzas, M. Kröger Quantifying chain reptation in entangled polymer melts: Topological and dynamical mapping of atomistic simulation results onto the tube model J. Chem. Phys. (2009) submitted
By mapping trajectories from long atomistic simulations onto the tube model, we have calculated the most fundamental function of the reptation theory, the probability &psi(s,t) a segment s of the primitive path remains in the initial tube after time t. Based on the computed ψ(s,t) cirves, calculated storage and loss moduli spectra and zero shear rate viscosities for a number of model polyethylene and polybutadiene melts are in remarkable agreement with rheological experimental data. The new methodology is believed to be especially useful in theoretical developments of more accurate tube models.