287820 Multiscale Modeling of Nanoparticle Suspensions: Rheology, Drying and Bulk Properties

Thursday, November 1, 2012: 1:45 PM
Cambria East (Westin )
Dan S. Bolintineanu1, Jeremy Lechman2, Gary S. Grest3 and P. Randall Schunk1, (1)Sandia National Laboratories, Albuquerque, NM, (2)Sandia National Laboratories, New Mexico, Albuquerque, NM, (3)Sandia National Laboratories, New Mexico

Colloidal suspensions have garnered significant interest due to their widespread use in various nanomanufacturing technologies. We present a multiscale approach to modeling the drying of colloidal suspensions and prediction of the bulk properties of the resulting composite materials. We discuss two relatively recent discrete element modeling techniques that are used to coarse-grain the solvent: stochastic rotation dynamics (SRD) and fast lubrication dynamics (FLD). We briefly compare their effectiveness in capturing the correct inter-particle hydrodynamic interactions. We then introduce novel approaches to simulate drying using these techniques, which we apply to the densification of suspensions of spherical, polydisperse particles with realistic physical properties. Finally, we use a continuum mechanics/finite element modeling approach to predict a number of important material properties of the resulting microstructure. In this way, we are able to model the effects of particle properties as well as drying parameters on the resulting microstructure and ultimately on the physical properties of interest in industrial applications.

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See more of this Session: Modeling and Simulation of Composites
See more of this Group/Topical: Materials Engineering and Sciences Division