Effects of chain length on Rouse modes and non-Gaussianity in linear and ring polymer melts
arXiv:2106.13467 · doi:10.1063/5.0061281
Abstract
The dynamics of ring polymer melts are studied via molecular dynamics simulations of the Kremer-Grest bead-spring model. Rouse mode analysis is performed in comparison with linear polymers by changing the chain length. Rouse-like behavior is observed in ring polymers by quantifying the chain length dependence of the Rouse relaxation time, whereas a crossover from Rouse to reptation behavior is observed in linear polymers. Furthermore, the non-Gaussian parameters of the monomer bead displacement and chain center-of-mass displacement are analyzed. It is found that the non-Gaussianity of ring polymers is remarkably suppressed with slight growth for the center-of-mass dynamics at long chain length, which is in contrast to the growth in linear polymers both for the monomer bead and center-of-mass dynamics.
9 pages, 4 figures, to appear in J. Chem. Phys
References in corpus (4)
- Efficient stochastic thermostatting of path integral molecular dynamics
- Molecular Dynamics Simulation Study of Nonconcatenated Ring Polymers in a Melt: I. Statics
- Molecular dynamics simulations of glassy polymers
- Molecular Dynamics Simulation Study of Nonconcatenated Ring Polymers in a Melt: II. Dynamics