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Dynamics in glass-forming polymers; α-relaxation; fully atomistic molecular dynamics simulations; quasi-elastic neutron scattering

The combination of molecular dynamics simulations and neutron scattering measurements on three different glass-forming polymers (polyisoprene, poly(vinyl ethylene) and polybutadiene) has allowed to establish the existence of a crossover from Gaussian to non-Gaussian behavior for the incoherent scattering function in the α-relaxation regime. The deviation from Gaussian behavior observed can be reproduced assuming the existence of a distribution of discrete jump lengths underlying the sublinear diffusion of the atomic motions during the structural relaxation.

J Colmenero^{1 2 3} A Arbe² F Alvarez^{1 2} A Narros¹ D Richter⁴ M Monkenbusch⁴ B Farago⁵

1. Departamento de Física de Materiales UPV/EHU, Apartado 1072, San Sebastián - 20080, Spain
2. Unidad Física de Materiales CSIC-UPV/EHU, Apartado 1072, San Sebastián - 20080, Spain
3. Donostia International Physics Center, Apartado 1072, San Sebastián - 20080, Spain
4. Institut für Festkörperforschung, Forschungszentrum, Jülich GmbH, Jülich - D-52425, Germany
5. Institut Laue-Langevin, BP 156, Grenoble Cedex 9 - 38042, France

Published

July 2004