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#!/usr/bin/env python3
"""
Cylindrical mesocrystal with hexagonal lattice of soft spheres on a substrate
"""
import bornagain as ba
from bornagain import ba_plot as bp, deg, nm, R3
def get_sample():
"""
A sample with a cylindrically shaped mesocrystal on a substrate.
"""
# Materials
material_particle = ba.RefractiveMaterial("Particle", 0.0006, 2e-08)
material_substrate = ba.RefractiveMaterial("Substrate", 6e-06, 2e-08)
vacuum = ba.RefractiveMaterial("Vacuum", 0, 0)
# Particles
inner_ff = ba.FuzzySphere(4.7*nm, .4*nm)
inner_particle = ba.Particle(material_particle, inner_ff)
# 3D lattice
lattice_a = 6.21
lattice_c = 6.57
sigma_a = 1.16
position_variance = sigma_a**2/3
lattice = ba.HexagonalLattice(lattice_a*2, lattice_c*2*2.3)
lattice.setSelectionRule(ba.SimpleSelectionRule(-1, 1, 1, 3))
bas_a = lattice.basisVectorA()
bas_b = lattice.basisVectorB()
bas_c = lattice.basisVectorC()
position_0 = R3(0, 0, 0)
position_1 = 1.0/3*(2*bas_a + bas_b + bas_c)
position_2 = 1.0/3*(bas_a + 2*bas_b + 2*bas_c)
positions = [position_0, position_1, position_2]
basis = ba.Compound()
basis.addComponents(inner_particle, positions)
# Crystals
crystal = ba.Crystal(basis, lattice, position_variance)
# Mesocrystals
outer_ff = ba.Cylinder(20*nm, 50*nm)
outer_particle = ba.Mesocrystal(crystal, outer_ff)
# Particle layouts
layout = ba.ParticleLayout()
layout.addParticle(outer_particle, 1)
layout.setTotalParticleSurfaceDensity(0.01)
# Layers
layer_1 = ba.Layer(vacuum)
layer_1.addLayout(layout)
layer_2 = ba.Layer(material_substrate)
# Sample
sample = ba.Sample()
sample.addLayer(layer_1)
sample.addLayer(layer_2)
return sample
def get_simulation(sample):
beam = ba.Beam(1e9, 0.1*nm, 0.2*deg)
n = 11
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()
simulation = get_simulation(sample)
result = simulation.simulate()
from bornagain import ba_check
ba_check.persistence_test(result)
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