Restraining geometrically-necessary dislocations to the active slip systems in a crystal plasticity-based finite element framework

Strain gradients have been cast in the form of geometrically-necessary dislocations (GND) to relate the length-scale dependence of strength and to determine potential sites for failure initiation. The literature contains various different incompatibility measures, the main ones being: the total form ($\nabla \times F_p$), the rate form for large displacements ($\nabla \times {\dot{\gamma }}^a{n}^a{F}_p$), and the slip gradient form ($\nabla {\dot{\gamma }}^a$). Here, these different approaches are compared rigorously for the first time. Obtaining GND densities when using the total form is a rank-deficit linear problem, solved by singular value decomposition (SVD) known as the Least Squares Minimization (L2 method). Alternative methods for finding GND densities such as Karush–Kuhn–Tucker (KKT) optimization are also investigated. Both L2 and KKT methods predict unrealistic GND densities on inactive slip systems leading to excessive strain hardening; even for a single crystal single slip case. Therefore, the restriction of GNDs to the active slip systems by using a threshold based on the total slip is proposed. This restriction reveals relatively consistent results for various single crystal single slip cases including: simple shear, uniaxial tension, and four-point bending. In addition, the small numerical differences in the slip leads to large discrepancies in the flow stress due to error accumulation, even for strain-gradient-free uniaxial tension, hence a threshold for the GND density increment ($2\times 10^2$ m⁻²) is used in all models to avoid formation of erroneous GND densities. Finally, the proposed method is applied to the evolution of the GND density for a grain inside a polycrystal aggregate that posses a complex stress state. The lowest incompatibility error is obtained by both of the total forms that use the curl of the plastic deformation gradient with the active slip system restriction suggesting them to be the most reliable GND measures.