Fig. 7: The denoising process helps reveal grain boundaries obscured by thermal perturbation.
From: Score-based denoising for atomic structure identification
a A bi-crystal of BCC Ta (64,000 atoms) containing two planar grain boundaries. b A polycrystal of BCC Ta (187,921 atoms) containing a network of grain boundaries. Both crystals were annealed in MD simulations at 2500 K (0.8Tm) for 50 ps which caused minor coarsening in the polycrystal. After denoising, a trace amount of point defects becomes visible in both examples. The atoms are classified by a-CNA. The BCC atoms are rendered slightly semi-transparent.
