Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2007-12-05
Phys. Rev. E 76, 051806 (2007)
Physics
Condensed Matter
Soft Condensed Matter
54 pages, 10 figures
Scientific paper
10.1103/PhysRevE.76.051806
We report on quantitative comparisons between simulation results of a bead-spring model and mode-coupling theory calculations for the structural and conformational dynamics of a supercooled, unentangled polymer melt. We find semiquantitative agreement between simulation and theory, except for processes that occur on intermediate length scales between the compressibility plateau and the amorphous halo of the static structure factor. Our results suggest that the onset of slow relaxation in a glass-forming melt can be described in terms of monomer-caging supplemented by chain connectivity. Furthermore, a unified atomistic description of glassy arrest and of conformational fluctuations that (asymptotically) follow the Rouse model, emerges from our theory.
Aichele Martin
Baschnagel Jörg
Chong Song-Ho
Fuchs Matthias
Meyer Hendrik
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