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- Nonlocal viscosity of polymer melts approaching their glassy state
- Puscasu, R. M.; Todd, B. D.; Daivis, P. J.; Hansen, J. S.
- The nonlocal viscosity kernels of polymer melts have been determined by means of equilibrium molecular dynamics upon cooling toward the glass transition. Previous results for the temperature dependence of the self-diffusion coefficient and the value of the glass transition temperature are confirmed. We find that it is essential to include the attractive part of the interatomic potential in order to observe a strong glass transition. The width of the reciprocal space kernel decreases dramatically near the glass transition, being described by a deltalike function near and below the glass transition, leading to a very broad kernel in physical space. Thus, spatial nonlocality turns out to play an important role in polymeric fluids at temperatures near the glass transition temperature.
- Publication type
- Journal article
- Research centre
- Swinburne University of Technology. Faculty of Information and Communication Technologies. Centre for Molecular Simulation
- Journal of Chemical Physics, Vol. 133, no. 14 (2010), paper no. 144907
- Publication year
- FOR Code(s)
- 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics; 0306 Physical Chemistry (Incl. Structural); 0904 Chemical Engineering
- Glass transition; Nonlocal viscosity; Polymer melts
- American Institute of Physics
- Publisher URL
- Copyright © 2010 American Institute of Physics. Published version of the paper reproduced here with the kind permission of the publisher.
- Full text
- Peer reviewed