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

Steinmann P, Pfaller S, Possart G, Müller-Plathe F, Rahimi M, Böhm MC (2013)

Publication Language: English

Publication Type: Conference contribution

Publication year: 2013

Publisher: Forschungszentrum Jülich GmbH, Zentralbibliothek

City/Town: Jülich

Book Volume: 46

Pages Range: 217-222

Conference Proceedings Title: NIC Series

Event location: Juelich, Germany DE

ISBN: 978-3-89336-849-5

Open Access Link: https://juser.fz-juelich.de/record/132949/files/NIC_Series_46.pdf

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.

Authors with CRIS profile

Paul Steinmann Lehrstuhl für Technische Mechanik Sebastian Pfaller Lehrstuhl für Technische Mechanik Gunnar Possart Lehrstuhl für Technische Mechanik

Involved external institutions

Technische Universität Darmstadt DE Germany (DE) University of Chicago US United States (USA) (US)

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.

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