Designing the Slide-Ring Polymer Network with both Good Mechanical and Damping Properties via Molecular Dynamics Simulation.

ABSTRACT: Through coarse-grained molecular dynamics simulation, we have successfully designed the chemically cross-linked (fixed junction) and the slide-ring (SR) systems. Firstly, we examine the dynamic properties such as the mean-square displacement, the bond, and the end-to-end autocorrelation functions as a function of the cross-linking density, consistently pointing out that the SR system exhibits much lower mobility compared with the fixed junction one at the same cross-linking density. This is further validated by a relatively higher glass transition temperature for the SR system compared with that of the fixed junction one. Then, we calculated the effect of the cross-linking density on the stretch-recovery behavior for the SR and fixed junction systems. Although the chain orientation of the

SUBMITTER: Zhang Z 

PROVIDER: S-EPMC6403985 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature