Microstructure and Transport Modeling of Dense Nanoparticle Assemblies

posted Jun 21, 2013, 11:38 AM by Ishan Srivastava   [ updated Jun 21, 2013, 1:19 PM ]

Student: Ishan Srivastava

Faculty: Timothy S. Fisher

Sponsor: NSF Scalable Nanomanufacturing Program

Summary: A specific class of heterogeneous nanomaterials, viz. dense assemblies and compacts of nanoparticles, are increasingly finding application in the transport, storage and conversion of energy. Economic and scalable manufacturing of such materials allows large-scale development of energy devices such as thermoelectrics, battery cathodes and hydrogen storage materials. Energy transport through these dense nanoparticle assemblies is intricately correlated to microstructure, and the microstructural evolution during manufacturing and operation is not well understood. We have developed structural optimization models to understand nanoparticle assembly under varying external stress states. The model enables us to understand the effect of nanoparticle shape, size (and dispersity therein) and complex interparticle interactions (surface van der Waals forces and elastic repulsive forces) on final microstructure of the assembly. Rich microstructural information, such as particle-particle contact topology, particle cluster topology and other statistical correlations (volume fraction and distribution functions) is derived from the model. This information feeds a network-type model to compute the effective transport properties of such materials.


Representative Paperhttp://heattransfer.asmedigitalcollection.asme.org/article.aspx?articleid=1688855