Investigation of the Mechanical Behavior of Polystyrene using Molecular Dynamics. Issue 1 (18th November 2019)

• Record Type: Journal Article
• Authors: Ries, Maximilian; Steinmann, Paul; Pfaller, Sebastian
• Other Names: Eberhardsteiner J. guestEditor.; Schöberl M. guestEditor.
• Is Part Of: Proceedings in applied mathematics and mechanics. Volume 19:Issue 1(2019)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2019-11-18
• Subjects: Applied mathematics -- Periodicals; Engineering mathematics -- Periodicals; Mathematical physics -- Periodicals; 519
• DOI: 10.1002/pamm.201900015
• Languages: English
• ISSNs: 1617-7061

Abstract

Abstract: 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.