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Structure and Dynamics of a Simulated Nano-Filled Polymer Melt



Francis W. Starr, T B. Schroeder, S C. Glotzer


To aid in the understanding and development o nano-filled polymer materials, we perform molecular dynamics simulations of an idealized filled polymer melt to probe the effects of a nanoscopic filler particle on the local melt structure and dynamics. We show that the glass transition temperature of the melt can be shifted to either higher or lower temperatures by appropriately tuning the interactions between polymer and filer. The polmer dynamics close to the filler surface reflect thsi change in the bulk glass transition.


carbon black, filled polymers, glass transition, molecular dynamics, nanoscopic, simulations


Starr, F. , Schroeder, T. and Glotzer, S. (2001), Structure and Dynamics of a Simulated Nano-Filled Polymer Melt, Nature (Accessed July 14, 2024)


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Created August 1, 2001, Updated February 17, 2017