Combined continuum mechanics and molecular dynamics approach for uniaxial deformation of a thermoplastic polymer

Bauer C, Pfaller S (2021)

Publication Type: Journal article

Publication year: 2021

Journal

Proceedings in Applied Mathematics and Mechanics Gesellschaft für Angewandte Mathematik und Mechanik (GAMM)

Book Volume: 20

Issue: 1

DOI: 10.1002/pamm.202000149

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.

Authors with CRIS profile

Christof Bauer Lehrstuhl für Technische Mechanik Sebastian Pfaller Lehrstuhl für Technische Mechanik

Additional Organisation(s)

Zentralinstitut für Scientific Computing (ZISC) Graduiertenkolleg 2423 Skalenübergreifende Bruchvorgänge: Integration von Mechanik, Materialwissenschaften, Mathematik, Chemie und Physik

How to cite

APA:

Bauer, C., & Pfaller, S. (2021). Combined continuum mechanics and molecular dynamics approach for uniaxial deformation of a thermoplastic polymer. Proceedings in Applied Mathematics and Mechanics, 20. https://doi.org/10.1002/pamm.202000149

MLA:

Bauer, Christof, and Sebastian Pfaller. "Combined continuum mechanics and molecular dynamics approach for uniaxial deformation of a thermoplastic polymer." Proceedings in Applied Mathematics and Mechanics 20 (2021).

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