Molecular dynamics of supercooled polymer films

Citation
F. Varnik et al., Molecular dynamics of supercooled polymer films, J PHYS IV, 10(P7), 2000, pp. 239-242
Citations number
7
Categorie Soggetti
Physics
Journal title
JOURNAL DE PHYSIQUE IV
ISSN journal
11554339 → ACNP
Volume
10
Issue
P7
Year of publication
2000
Pages
239 - 242
Database
ISI
SICI code
1155-4339(200005)10:P7<239:MDOSPF>2.0.ZU;2-F
Abstract
We present results of molecular dynamics simulations for a supercooled poly mer melt confined between two smooth and purely repulsive walls. The thickn ess D of the him is about 7 times the bulk radius of gyration. For all temp eratures studied, a significant increase of the monomer and chain mobilitie s with respect to the bulk is observed. Preliminary results suggest that st ructural relaxation times exhibit a power-law behavior in the vicinity of a critical temperature T-c(D) approximate to 0.39 (in Lennard-Jones units). This estimate of T-c(D) is about 14% smaller than the corresponding bulk va lue. Despite this significant decrease the time dependence of various mean- square displacements seems to be unaffected by confinement if data for the same reduced temperatures T - T-c of the bulk and the film are compared.