Multiscale modeling of copper and copper/nickel nanofoams under compression

Abstract

Pure metal nanofoams in the form of interconnected ligament networks have shown strong potential over the last few years in areas such as catalysts, batteries, and optics. However, they are often fragile and therefore difficult to integrate into engineering applications. For these reasons, a new class of materials, composite metallic nanofoams made of ligaments coated with thin metallic layers, have been proposed to solve these issue. The mechanical properties of these nanofoams depend on their relative density and their internal geometrical structure. In this work, we combine molecular dynamics (MD) and finite element method (FEM) to investigate the compressive behavior of nanofoams made of copper ligaments coated with nickel. We also investigate how this behavior relates to their microstructures. For that purpose, we built different types of representative cell structures, and atomistic simulations of multiaxial compression tests were performed to produce yield surfaces. Then the generated yield surfaces were curve fitted into a normalized model to obtain the shape parameters. Last, a plasticity model was introduced to study and compare their mechanical behavior under compression. The results suggest that the coating of the ligaments can improve the mechanical behavior of the nanofoams. They also reveal the importance and the limitations of the microstructural geometry on the strengthening of these structures. These findings can be used for the design of metallic nanofoams with tailored mechanical properties.