| Hydrogen motions in the alpha relaxation regime of poly(vinyl ethylene): A molecular dynamics simulation and neutron scattering study (2004) | |||||||||||
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| JOURNAL CHEMICAL PHYSICS VOLUME NUMBER AUGUST Hydrogen motions the relaxation regime poly vinyl ethylene molecular dynamics simulation and neutron scattering study Narros Departamento sica Materiales UPV EHU Apartado San Sebastian Spain Alvarez Departamento sica Materiales UPV EHU Apartado San Sebastian Spain and Unidad sica Materiales CSIC UPV EHU Apartado San Sebastian Spain Arbe Unidad sica Materiales CSIC UPV EHU Apartado San Sebastian Spain Colmenero Departamento sica Materiales UPV EHU Apartado San Sebastian Spain Unidad sica Materiales CSIC UPV EHU Apartado San Sebastian Spain and Donostia International Physics Center Apartado San Sebastian Spain Richter Institut fur Festkorperforschung Forschungszentrum Julich GmbH Julich Germany Farago Institut Laue Langevin Postale Grenoble Cedex France Received March accepted May The hydrogen motion poly vinyl ethylene polybutadiene the relaxation regime has been studied combining neutron spin echo NSE measurements fully protonated sample and fully atomistic molecular dynamics simulations The almost perfect agreement between experiment and simulation results validates the simulated cell crossover from Gaussian non Gaussian behavior observed for the intermediate scattering function obtained from both NSE measurements and simulations This crossover takes place unusually low values well below the rst maximum the static structure factor Such anomalous deviation from Gaussian behavior can explained the intrinsic dynamic heterogeneity ar | |||||||||||
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