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Molecular dynamics of supercooled polymer films

F. Varnik, J. Baschnagel, K. Binder

Journal de Physique IV France, 10, 239-242, (2000)

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We present results of molecular dynamics simulations for a supercooled polymer melt confined between two smooth and purely repulsive walls. The thickness D of the him is about 7 times the bulk radius of gyration. For all temperatures studied, a significant increase of the monomer and chain mobilities with respect to the bulk is observed. Preliminary results suggest that structural relaxation times exhibit a power-law behavior in the vicinity of a critical temperature Tc(D) approximate to 0.39 (in Lennard-Jones units). This estimate of Tc(D) is about 14% smaller than the corresponding bulk value. 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 - Tc of the bulk and the film are compared.

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{"type":"article", "name":"f.varnik20001", "author":"F. Varnik and J. Baschnagel and K. Binder", "title":"Molecular dynamics of supercooled polymer films", "journal":"Journal de Physique IV France", "volume":"10", "OPTnumber":"P7", "OPTmonth":"1", "year":"2000", "OPTpages":"239-242", "OPTnote":"", "OPTkey":"glass transition; simulation", "DOI":""}
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