Nanocrystalline¶
SiO₂ with 21 Å α-quartz grains: grains are now large enough that only a couple fit in the 40 × 40 × 40 Å box. The crystalline tiles dominate the structure; only thin seams of disordered atoms remain where rotated grains meet.
Parameters¶
cell.generate(
shell_target,
num_steps=250,
grain_size=27.0,
bond_weight=1.5,
angle_weight=1.2,
repulsion_weight=1.2,
hard_core_scale=0.8,
nonbond_push_scale=0.7,
displacement_sigma=0.01,
)