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Investigation of the Mechanical Behavior of Polystyrene using Molecular Dynamics
Author(s) -
Ries Maximilian,
Steinmann Paul,
Pfaller Sebastian
Publication year - 2019
Publication title -
pamm
Language(s) - English
Resource type - Journals
ISSN - 1617-7061
DOI - 10.1002/pamm.201900015
Subject(s) - polystyrene , creep , materials science , molecular dynamics , polymer , deformation (meteorology) , coupling (piping) , macroscopic scale , relaxation (psychology) , multiscale modeling , biological system , composite material , computational chemistry , physics , chemistry , psychology , social psychology , quantum mechanics , biology
Polymer nanocomposites exhibit highly promising material properties caused by their molecular structure. Multiscale techniques are used to gain a deeper understanding of the influence of molecular mechanisms on the macro scale. Especially domain composition coupling approaches, e.g. the Capriccio method [1], require a precise match of the constitutive models of the coupled domains. To this end, in this contribution a methodology to characterize the material behavior of polymers using the widely used Molecular Dynamics approach is presented. Exemplary, polystyrene is investigated as a model system and the results of time proportional and time periodic uniaxial deformation tests as well as relaxation and creep tests are briefly discussed.