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#!/usr/bin/env python3
# /// script
# requires-python = ">=3.10"
# dependencies = ["bornagain>=25,<26"]
# ///
"""
GISAS of a larger cylindrical mesocrystal on a substrate.
Spheres (4 nm radius) on a 10 nm cubic lattice fill a cylinder of
diameter and height 28 nm (3×3×3 unit cells). Compare Mesocrystal.py
which uses smaller parameters.
"""
import bornagain as ba
ba.require_versions("bornagain>=25,<26")
from bornagain import deg, nm, R3
def get_sample():
particle_color = (0.86, 0.24, 0.18)
particle_mat = ba.RefractiveMaterial("Particle", particle_color, 6e-4, 2e-8)
substrate_color = (0.28, 0.57, 0.82)
substrate_mat = ba.RefractiveMaterial("Substrate", substrate_color, 6e-6, 2e-8)
vacuum = ba.Vacuum()
n = 3
L = 10 * nm
R = 4 * nm
inner_ff = ba.Sphere(R)
inner_particle = ba.Particle(particle_mat, inner_ff)
lattice = ba.Lattice3D(R3(L, 0, 0), R3(0, L, 0), R3(0, 0, L))
crystal = ba.Crystal(inner_particle, lattice)
size = L * (n - 1) + 2 * R
outer_ff = ba.Cylinder(size / 2, size)
meso = ba.Mesocrystal(crystal, outer_ff)
vacuum_layer = ba.Layer(vacuum)
substrate_layer = ba.Layer(substrate_mat)
vacuum_layer.deposit2D(ba.Dilute2D(0.001, meso))
sample = ba.Sample()
sample.addLayer(vacuum_layer)
sample.addLayer(substrate_layer)
return sample
def get_simulation(sample):
beam = ba.Beam(1e9, 0.1*nm, 0.2*deg)
n = 200
detector = ba.SphericalDetector(n, -2*deg, 2*deg, n, 0, 2*deg)
simulation = ba.ScatteringSimulation(beam, sample, detector)
return simulation
if __name__ == '__main__':
sample = get_sample()
ba.showSample3D(sample, sample_size=250*nm, seed=0)
simulation = get_simulation(sample)
result = simulation.simulate()
ba.plot_datafield(result, unit_aspect=1)
ba.plt.show()
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BornAgain
≻ git-develop
≻ Documentation ≻ Examples ≻ GISAS ≻ Structures and correlations ≻ Mesocrystal plus
