Short-range order¶
SiO₂ with 8 Å α-quartz grains: each grain interior holds a handful of intact SiO₄ tetrahedra, but the phase-mismatched boundaries dominate the structure so correlations decay quickly beyond the first neighbour shell.
Parameters¶
cell.generate(
shell_target,
num_steps=250,
grain_size=14.0,
bond_weight=1.6,
angle_weight=1.3,
repulsion_weight=1.25,
hard_core_scale=0.82,
nonbond_push_scale=0.71,
displacement_sigma=0.011,
)