Molecular Simulation of Fundamental Processes in Nanoparticle - Polymer - Nanoparticle Systems Under Tensile Load

Zahn D (2013)

Publication Type: Journal article

Publication year: 2013

Journal

International Journal of Materials, Mechanics and Manufacturing IACSIT Press

Book Volume: 1

Pages Range: 306-308

Journal Issue: 3

DOI: 10.7763/IJMMM.2013.V1.66

Abstract

We demonstrate molecular modeling of polymer (polyacrylate) association to ZnO nanoparticles by means of a recently developed molecule-by-molecule association approach. Upon multiple acrylate association steps, potential sites for connecting ZnO particles are elaborated and explored under tensile loading from molecular dynamics simulation. This offers molecular level insights into processes that account for elastic and plastic deformation, creep and self-healing in ZnO-polymer composite materials.

Authors with CRIS profile

Dirk Zahn Professur für Theoretische Chemie

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials (EAM)

How to cite

APA:

Zahn, D. (2013). Molecular Simulation of Fundamental Processes in Nanoparticle - Polymer - Nanoparticle Systems Under Tensile Load. International Journal of Materials, Mechanics and Manufacturing, 1(3), 306-308. https://doi.org/10.7763/IJMMM.2013.V1.66

MLA:

Zahn, Dirk. "Molecular Simulation of Fundamental Processes in Nanoparticle - Polymer - Nanoparticle Systems Under Tensile Load." International Journal of Materials, Mechanics and Manufacturing 1.3 (2013): 306-308.

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