Physics
Scientific paper
Feb 2010
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010njph...12b3001v&link_type=abstract
New Journal of Physics, Volume 12, Issue 2, pp. 023001 (2010).
Physics
1
Scientific paper
The impact of free surfaces on the mobility and conformational fluctuations of model polymer chains is investigated with the help of classical molecular dynamics simulations over a broad temperature range. Below a critical temperature, T*, similar to the critical temperature of the mode coupling theory, the center-of-mass displacements and temporal fluctuations of the radius of gyration of individual chains—as a fingerprint of structural reconfigurations—reveal a strong enhancement close to surfaces, while this effect diminishes with increasing temperature and observation time. Interpreting conformational fluctuations as a random walk in conformational space, identical activation enthalpies for structural reconfigurations and diffusion are obtained within the error bars in the bulk and at the surfaces, thus indicating a coupling of diffusive and conformational dynamics.
Mayr S. G.
Vree C.
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