Understanding the Atomistic Deformation Mechanisms of Cu-Nb Multilayered Nanocomposites using Molecular Dynamics.

Abstract

Metal-metal multilayered nanocomposites exhibit a remarkable improvement in strength, thermal stability, and irradiation resistance. This superior response of multilayered nanocomposites is attributed to various factors, such as the high density of interfaces, layer thickness, and nature of interfaces. In the current work, molecular dynamic simulations will be utilized to study the uniaxial (tension and compression) mechanical response of Cu-Nb multilayered nanocomposites (MNCs). In specific, the aim is to understand the deformation mechanisms of accumulative roll bonded vs. physical vapor deposited interfaces with nanolayered Cu and Nb. In addition, the effect of loading mode (tension vs. compression) and crystallography on the deformation of MNCs is discussed in detail with emphasis on atomic-scale interactions between dislocations, dislocation-interfaces, and dislocations-twins. The outcome of this work would serve as a supplement to plasticity literature which provides deep insights into interfacial deformation mechanisms and defect formation in metal-metal multilayered nanocomposite under various loading scenarios.