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#!/usr/bin/env python3
# /// script
# requires-python = ">=3.10"
# dependencies = ["bornagain>=25,<26"]
# ///
"""
GISAS of a two-sphere compound unit cell on a hexagonal lattice.
Two spheres at the origin and at (R, R/√3, √(8/3)·R) form the basis
of a hexagonal crystal. This mimics an HCP-like stacking.
"""
import bornagain as ba
ba.require_versions("bornagain>=25,<26")
from bornagain import deg, nm, R3
import math
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()
R = 10 * nm
ff = ba.Sphere(R)
sphere = ba.Particle(particle_mat, ff)
basis = ba.Compound()
basis.addComponents(sphere, [
R3(0, 0, 0),
R3(R, R / math.sqrt(3), math.sqrt(8 / 3) * R)
])
lattice = ba.HexagonalLattice2D(20 * nm, 0)
structure = ba.Crystal2D(basis, lattice)
profile = ba.Profile2DCauchy(100 * nm, 100 * nm, 0)
structure.setDecayFunction(profile)
vacuum_layer = ba.Layer(vacuum)
substrate_layer = ba.Layer(substrate_mat)
vacuum_layer.deposit2D(structure)
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
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≻ Documentation ≻ Examples ≻ GISAS ≻ Particles, layers, and interfaces ≻ Compound
