Phenomenological crystal plasticity modeling and detailed micromechanical investigations of pure magnesium

We present a single crystal plasticity model for pure Mg incorporating slip and deformation twinning. The model uses the basic framework of Kalidindi (1998), but proposes constitutive descriptions for the slip and twin evolution and their interactions that are motivated by experimental observations. Based on compelling experimental evidences, we distinguish between the constitutive descriptions of the tension and compression twinning to better represent their roles in the overall hardening of Mg single crystals. With these improved phenomenological descriptions, we first calibrate material parameters for the different slip and twin modes by performing three-dimensional simulations mimicking the plane-strain compression experiments by Kelley and Hosford (1967, 1968) on single crystal pure Mg. In doing so, these computational responses are critically compared with their corresponding orientation-dependent microscopic (slip and twin activities) and macroscopic (stress–strain responses) experimental observations. Then, the calibrated parameters are used to predict several other experimental results on pure single- and poly-crystal Mg under different loading conditions. We also investigate the role of pre-existing heterogeneities such as initial twin population and stiff, elastic inclusions on the single crystal macroscopic and microscopic responses. Microstructural characteristics show that such heterogeneities strongly influence the local and global evolution of the slip and twin activities, and in some cases modulate the strength anisotropy that is commonly observed in monolithic single crystals. These results may provide useful indicators toward designing novel composite Mg microstructures.