Multi-scale modeling of poly(isoprene) melts
| dc.creator | Faller, Roland | |
| dc.creator | Mueller-Plathe, Florian | |
| dc.date | 2000-10-19 | |
| dc.date.accessioned | 2026-07-07T02:39:03Z | |
| dc.date.available | 2026-07-07T02:39:03Z | |
| dc.description | Atomistic (atom-scale) and coarse-grained (meso-scale) simulations of structure and dynamics of poly-isoprene melts are compared. The local structure and chain packing is mainly determined by the atomistic details of the polymer architecture. The large-time dynamics encountered in NMR experiments can be explained by meso-scale simulations including stiffness. The connecting link between the two scales is the stiffness which, although being a local property, influences strongly even the long-timescale dynamics. The standard reptation scenario fails to explain the observed dynamics. We propose strong reptation as a modified reptation scenario in which the local Rouse motion is absent. | |
| dc.description | 21 pages, 13 pictures (partially color) | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0010293 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0010293 | |
| dc.identifier | Polymer 43(2) 621-628 (2002) | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/16907 | |
| dc.subject | Soft Condensed Matter | |
| dc.title | Multi-scale modeling of poly(isoprene) melts | |
| dc.type | text |