Fig. 4: Comparison of stress-strain response predicted in MD and DDD simulations of [001] compression at rates 2 × 108/s and 2 × 107/s. | npj Computational Materials

Fig. 4: Comparison of stress-strain response predicted in MD and DDD simulations of [001] compression at rates 2 × 108/s and 2 × 107/s.

From: Learning dislocation dynamics mobility laws from large-scale MD simulations

Fig. 4

Although the GNN mobility function was trained only on 2 × 108/s trajectories (red), it correctly predicts the flow stress at the lower straining rate of 2 × 107/s (green). Evolution of dislocation densities predicted at the lower straining rate is shown in the inset.

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