Molecular dynamics meets finite elements: An approach for coupled simulations of nanocomposites

Conference contribution


Publication Details

Author(s): Steinmann P, Pfaller S, Possart G, Müller-Plathe F, Rahimi M, Böhm MC
Editor(s): Forschungszentrum Jülich GmbH, Zentralbibliothek
Publisher: Forschungszentrum Jülich GmbH, Zentralbibliothek
Publishing place: Jülich
Publication year: 2013
Volume: 46
Conference Proceedings Title: NIC Series
Pages range: 217-222
ISBN: 978-3-89336-849-5
Language: English


Abstract


In contrast to field-based continuum mechanics, particle-based methods can take into account the specific atomistic structure of the material under consideration. In our approach the system consists of a particle region that is coupled to a continuum by introducing a bridging domain

where both regions overlap. The particle domain is computed by Molecular Dynamics (MD)

at finite temperature, while the continuum is discretized and solved using the Finite Element

Method (FEM). In addition to existing coupling schemes, the particles are tethered to anchor

points which transfer displacements and forces between the different domains.



FAU Authors / FAU Editors

Pfaller, Sebastian Dr.-Ing.
Lehrstuhl für Technische Mechanik
Possart, Gunnar Dr.-Ing.
Lehrstuhl für Technische Mechanik
Steinmann, Paul Prof. Dr.-Ing.
Lehrstuhl für Technische Mechanik


External institutions with authors

Technische Universität Darmstadt
University of Chicago


How to cite

APA:
Steinmann, P., Pfaller, S., Possart, G., Müller-Plathe, F., Rahimi, M., & Böhm, M.C. (2013). Molecular dynamics meets finite elements: An approach for coupled simulations of nanocomposites. In Forschungszentrum Jülich GmbH, Zentralbibliothek (Eds.), NIC Series (pp. 217-222). Juelich, Germany, DE: Jülich: Forschungszentrum Jülich GmbH, Zentralbibliothek.

MLA:
Steinmann, Paul, et al. "Molecular dynamics meets finite elements: An approach for coupled simulations of nanocomposites." Proceedings of the Hybrid Particle-Continuum Methods in Computational Materials Physics, Juelich, Germany Ed. Forschungszentrum Jülich GmbH, Zentralbibliothek, Jülich: Forschungszentrum Jülich GmbH, Zentralbibliothek, 2013. 217-222.

BibTeX: 

Last updated on 2018-09-08 at 23:08