Predicting plastic flow and irradiation hardening of iron single crystal with mechanism-based continuum dislocation dynamics

Continuum dislocation dynamics (CDD) with a novel constitutive law based on dislocation density evolution mechanisms was developed to investigate the deformation behaviors of single crystals. The dislocation density evolution law in this model is mechanism-based, with parameters predicted by lower-length scale models or measured from experiments, not an empirical law with parameters back-fitted from the flow curves. Applied on iron single crystal, this model was validated by experimental data and compared with traditional single crystal constitutive models using a Hutchinson-type hardening law or a dislocation-based hardening law. The CDD model demonstrated higher fidelity than other constitutive models when anisotropic single crystal deformation behaviors were investigated. The traditional Hutchinson type hardening laws and other constitutive laws based on a Kocks formulated dislocation density evolution law will only succeed in a limited number of loading directions. The main advantage of CDD is the novel physics-based dislocation density evolution laws in describing the meso-scale microstructure evolution. Another advantage of CDD is on cross-slip, which is very important when loading conditions activate only one primary slip system. In addition to the dislocation hardening, CDD also takes into consideration dislocation defect interactions. Irradiation hardening of iron single crystal was simulated with validation from experimental results.