Fig. 5: Three a-Si structural models of 100,000 atoms with increasing degree of crystalline order.
From: Signatures of paracrystallinity in amorphous silicon from machine-learning-driven molecular dynamics
The first model, labeled A, is taken from ref. 4, while the other two were generated as part of the present study by melt-quenching at 1011 K s−1 (B) and 1010 K s−1 (C), respectively. a Structure visualizations color-coded by PTM as in Fig. 1. b Normalized structure factor for each structure, computed using the DEBYECALCULATOR package70. Black dashed lines indicate the experimental data from ref. 38. Insets show the agreement of the predicted first and second sharp diffraction peaks (bars) with experimental data from ref. 38 (black lines). Source data are provided in the Source Data file.
