Dislocation mechanism based size-dependent crystal plasticity modeling and simulation of gradient nano-grained copper

Abstract

Overcoming the trade-off between strength and ductility in metallic materials is a grand challenge. Recently, materials with a gradient nano-grained (GNG) surface layer adhering to a ductile coarse-grained (CG) substrate have been proposed to overcome this long-standing dilemma. Constitutive modeling and simulation are crucial to understand the deformation mechanisms controlling the strength and ductility in GNG/CG materials, and to enable theory to guide microstructure optimization for upscaling. Here, we develop a dislocation mechanism based size-dependent crystal plasticity model, where multiple dislocation evolution mechanisms are considered. Furthermore, damage evolution and mechanically driven grain growth during the deformation of GNG/CG materials are incorporated into the constitutive model to study the role of microstructure gradient in the overall plastic response. The developed size-dependent constitutive model was implemented within a finite-strain crystal plasticity finite element framework, and used to predict the tensile mechanical behavior of GNG/CG copper, including yield stress, strain-hardening and ductility with a highly simplified geometrical representation of the microstructure. The simulations reveal some of the underlying deformation mechanisms controlling ductility and strengthening in terms of the spatial distribution and temporal evolution of microstructure and damage. The model was also used to demonstrate optimization of strength and ductility of GNG/CG copper. By manipulating the thickness of the GNG layer and the grain size of the CG substrate, the strength increase is associated with a loss of ductility showing the same linear inverse relationship observed experimentally for GNG/CG copper, which indicates the improvement over the typical nonlinear trade-off between strength and ductility.