Conference contribution


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


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

Event details
Event: Hybrid Particle-Continuum Methods in Computational Materials Physics
Event location: Juelich, Germany
Start date of the event: 04/03/2013
End date of the event: 07/03/2013
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.



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). 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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