Fig. 3: Large-scale DDD+ML predictions versus ground-truth MD results.
From: Learning dislocation dynamics mobility laws from large-scale MD simulations
a Comparison of stress-strain response predicted in MD and DDD simulations of [001] tension and compression deformation of BCC tungsten: the GNN dislocation mobility function employed in the DDD simulation was trained on the MD trajectories. MD and DDD simulations are performed in simulation volumes of the same size deformed under the same uniaxial straining conditions at rate 2 × 108/s. b Comparison of dislocation density evolution in the same MD and DDD simulations. Lines colors are the same as in the legend in (a).
