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Integrated Computational Materials Engineering (ICME) for Metals: Using Multiscale Modeling to Invigorate Engineering Design with Science by Mark F. Horstemeyer

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9.5 BRIDGE 3: DISLOCATION DENSITY TO CP SIMULATION CONNECTION

9.5.1 Model Calibration of Hardening Equations

This section presents the flow rule and the hardening law employed in a CP model, the identification of the plasticity parameters associated with the model, and the theoretical description of the method used to extract the hardening parameters from simulations at a lower length scale using dislocation dynamics (DD). A complete description of the CP model used for this study and the corresponding numerical implementation are presented in Marin et al. [36]. As shown by Bridge 3, defined in Figure 9.8, the results from the DD simulations were used to provide the hardening constants for the next higher length scale. Figure 9.9 illustrates the downscaling/upscaling bridge between the various length scales for these MD simulations.

Figure 9.9 Schematic of dislocation dynamics (DD) and the associated upscaling/downscaling with the bridges between the atomistic simulations using molecular dynamics (MD), crystal plasticity (CP) simulations, and the macroscale internal state variable (ISV) plasticity constitutive model.

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At conventional “quasistatic” strain rates, the localized obstacles to dislocation glide are overcome by thermal activation. In such a case, the kinetics of dislocation motion is jerky, determined by the waiting time for thermal activation [37]. As such, the kinetics ...

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