Fig. 7: Faceted nanoparticle simulation results.
From: Graph neural network coarse-grain force field for the molecular crystal RDX
gr,mol of faceted nanoparticles of RDX at T of (a) 300 K, (b) 400 K, (c) 500 K, and (d) 600 K. The core molecules are within 2 nm from the center-of-mass, while those outside this range are considered surface molecules. The snapshots are for the perspective of the [010] orientation.
