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Molecular Dynamics Approach to Relaxation and Aggregation of Polymer Chains
2010
Progress of Theoretical Physics Supplement
We have used molecular dynamics to simulate various systems of polymer chains and Lennard-Jones molecules; the neighboring monomers along a polymer chain are connected by rigid bonds or spring of strength k spring . We find that the velocity distributions of monomers in a wide range of simulation time can be well described by Tsallis q-statistics [C. Tsallis, J. Stat. Phys. 52 (1988) , 479] (q ≥ 1) and a single scaling function; the value of q is related to the conformation constraining
doi:10.1143/ptps.184.369
fatcat:njvvxo7adbhl5lttokxrgn6t74