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#!/usr/bin/env python3
# /// script
# requires-python = ">=3.10"
# dependencies = ["bornagain>=25,<26"]
# ///
"""
Conical mesocrystal on a substrate, with material averaging (slicing).
"""
import bornagain as ba
ba.require_versions("bornagain>=25,<26")
from bornagain import deg, nm, nm2, R3
def get_sample():
# Materials (10x stronger absorption than standard Mesocrystal example)
particle_color = (0.86, 0.24, 0.18)
particle_mat = ba.RefractiveMaterial("Particle", particle_color, 6e-05, 2e-07)
substrate_color = (0.28, 0.57, 0.82)
substrate_mat = ba.RefractiveMaterial("Substrate", substrate_color, 6e-06, 2e-07)
vacuum = ba.Vacuum()
# Basis particle: smaller spheres
inner_ff = ba.Sphere(2.3*nm)
inner_particle = ba.Particle(particle_mat, inner_ff)
# 3D lattice: smaller lattice constant
lattice = ba.Lattice3D(R3(5*nm, 0, 0), R3(0, 5*nm, 0),
R3(0, 0, 5*nm))
# Crystal
crystal = ba.Crystal(inner_particle, lattice)
# Mesocrystal: cone outer shape with alpha=75deg
outer_ff = ba.Cone(20*nm, 50*nm, 75*deg)
outer_particle = ba.Mesocrystal(crystal, outer_ff)
# Layers with slicing for material averaging
layer_1 = ba.Layer(vacuum)
layer_1.setNumberOfSlices(5)
layer_1.deposit2D(ba.Dilute2D(0.0001/nm2, outer_particle))
layer_2 = ba.Layer(substrate_mat)
# Sample
sample = ba.Sample()
sample.addLayer(layer_1)
sample.addLayer(layer_2)
return sample
def get_simulation(sample):
# Reduced grazing angle for evanescent wave in averaged layer
# Critical angle ~0.094deg for effective averaged mesocrystal layer
beam = ba.Beam(1e9, 0.1*nm, 0.08*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=120*nm, seed=0)
simulation = get_simulation(sample)
result = simulation.simulate()
ba.plot_datafield(result, unit_aspect=1)
ba.plt.show()
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