Combined continuum mechanics and molecular dynamics approach for uniaxial deformation of a thermoplastic polymer. Issue 1 (25th January 2021)

• Record Type: Journal Article
• Authors: Bauer, Christof; Pfaller, Sebastian
• Other Names: Kuhl D. guestEditor.; Meister A. guestEditor.; Ricoeur A. guestEditor.; Wünsch O. guestEditor.
• Is Part Of: Proceedings in applied mathematics and mechanics. Volume 20:Issue 1(2021)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2021-01-25
• Subjects: Applied mathematics -- Periodicals; Engineering mathematics -- Periodicals; Mathematical physics -- Periodicals; 519
• DOI: 10.1002/pamm.202000149
• Languages: English
• ISSNs: 1617-7061

Abstract

Abstract: A hybrid molecular dynamics (MD)‐continuum mechanics (CM) method for calculating a molecular system of an amorphous polymer under uniaxial tensile load was developed. In this contribution, the operating principle of this method is introduced and applied to a sample system. Furthermore, the practicability of the hybrid MD‐CM approach is examined.