BRIGE: Multiscale Modeling and Simulation of the Consolidation of Metallic Nanoparticles

Mississippi State University, Mississippi State MS

Investigators

Abstract

This Broadening Participation Research Initiation Grants in Engineering (BRIGE) grant provides funding for comprehensive investigations to study the fundamental mechanisms that affect the consolidation of metallic nanoparticles and to determine the relevant length scale parameters that capture the microstructural responses of the nanoparticle material system. Characterization experiments will be used to determine the effects of processing parameters (i.e. pressure, temperature, heating rate) and nanoparticle attributes (i.e. size, compressibility, agglomeration) on the densification and microstructural evolution of the nanoparticle systems during consolidation. Atomistic simulations will be performed to examine the influence of these parameters on nanoparticle diffusion during consolidation and to quantify the fundamental transport mechanisms by which the nanoparticles consolidate. From the length scale parameters determined from the atomistic simulations and experimental observations, the microstructural characteristics observed at the nanoscale will be implemented into physically-based constitutive relations for larger scale finite element models which can be used to evaluate new applications for nanostructured microdevices. The successful completion of this research will broaden the scientific and technical understanding of nanoparticles and nanostructured materials. The goal of this work is to use multiscale modeling to implement higher fidelity physics which include the deformation behavior of nanoparticles determined from atomistic simulations and experimental investigations into larger scale models that predict the behavior of nanostructured materials. Quantifying the effect of particle and processing parameters on dimensional changes and microstructure will lead to significant scientific advances in nanotechnology by providing a fundamental understanding of nanoscale material behavior under different processing conditions. Further development of modeling methods and expansion of simulation-based design will directly impact the powder metallurgy and nanotechnology industries by providing predictive models for the consolidation of nanostructured materials which will lead to significant performance increases and cost savings in evaluating new applications for nanopowders, as well as will reduce time for implementation.