Medium-range order¶
SiO₂ with 10 Å α-quartz grains: grain interiors now comfortably hold multiple shells of tetrahedra, so clear patches of α-quartz appear interspersed with the phase-boundary disorder.
Parameters¶
cell.generate(
shell_target,
num_steps=250,
grain_size=17.0,
bond_weight=1.65,
angle_weight=1.35,
repulsion_weight=1.3,
hard_core_scale=0.82,
nonbond_push_scale=0.72,
displacement_sigma=0.011,
)