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#!/usr/bin/env python3
# /// script
# requires-python = ">=3.10"
# dependencies = ["bornagain>=25,<26"]
# ///
"""
Dilute soft spheres (FuzzySphere) in a thick film, 3D distribution.
Soft particles have diffuse boundaries modelled by a Debye-Waller factor.
Slicing is not supported for soft particles; material averaging is disabled.
The 3D distribution uses fill3D(Dilute3D).
"""
import bornagain as ba
ba.require_versions("bornagain>=25,<26")
from bornagain import deg, nm, nm3
def get_sample():
R = 5*nm
thickness = 12*R # 60 nm
# Materials
particle_color = (0.86, 0.24, 0.18)
particle_mat = ba.RefractiveMaterial("Particle", particle_color, 6e-04, 2e-08)
substrate_color = (0.28, 0.57, 0.82)
substrate_mat = ba.RefractiveMaterial("Substrate", substrate_color, 6e-06, 2e-08)
vacuum = ba.Vacuum()
# Soft particle (FuzzySphere with Gaussian fuzziness), centered alignment
ff = ba.FuzzySphere(R, 0.5*nm)
particle = ba.Particle(particle_mat, ff)
# Layers: vacuum / thick film / substrate
layer_vacuum = ba.Layer(vacuum)
layer_film = ba.Layer(vacuum, thickness)
layer_film.fill3D(ba.Dilute3D(5e-4/nm3, particle))
layer_substrate = ba.Layer(substrate_mat)
# Sample
sample = ba.Sample()
sample.addLayer(layer_vacuum)
sample.addLayer(layer_film)
sample.addLayer(layer_substrate)
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, 3*deg)
simulation = ba.ScatteringSimulation(beam, sample, detector)
# Disable material averaging (slicing not supported for soft particles)
simulation.options().setUseAvgMaterials(False)
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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BornAgain
≻ git-develop
≻ Documentation ≻ Examples ≻ GISAS ≻ Particles, layers, and interfaces ≻ Soft spheres film
