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#!/usr/bin/env python3
# /// script
# requires-python = ">=3.10"
# dependencies = ["bornagain>=25,<26"]
# ///
"""
Specular reflectometry with hand-averaged SLD layers (no particles).
Instead of explicit particles with setNumberOfSlices, N homogeneous SLD
layers with the volume-averaged scattering length density replace the
sliced-particle layer. Results must agree with SpecularWithSlicing2.py.
"""
from math import pi
import bornagain as ba
ba.require_versions("bornagain>=25,<26")
from bornagain import angstrom, deg, nm
HEIGHT = 5 * nm
RADIUS = 5 * nm
SURF_DENSITY = 0.01 # nm^-2
N_SLICES = 3
WAVELENGTH = 1.54 * angstrom
def _sld(delta, beta):
"""
Convert refractive index (delta, beta) to SLD (Å⁻²) at WAVELENGTH.
"""
f = pi * angstrom**2 / WAVELENGTH**2
return (2*delta - delta**2 + beta**2) * f, (2*beta - 2*delta*beta) * f
def get_sample():
vacuum = ba.Vacuum()
sub_re, sub_im = _sld(6e-6, 2e-8)
par_re, par_im = _sld(6e-4, 2e-8)
# Effective volume fraction of cylinders in each slice
eff_vol = SURF_DENSITY * pi * RADIUS**2
avr_re = eff_vol * par_re
avr_im = eff_vol * par_im
substrate_color = (0.28, 0.57, 0.82)
substrate_mat = ba.SLDMaterial("Substrate", substrate_color, sub_re, sub_im)
avr_color = (0.05, 0.62, 0.55)
avr_mat = ba.SLDMaterial("Avr", avr_color, avr_re, avr_im)
sample = ba.Sample()
sample.addLayer(ba.Layer(vacuum))
for _ in range(N_SLICES):
sample.addLayer(ba.Layer(avr_mat, HEIGHT / N_SLICES))
sample.addLayer(ba.Layer(substrate_mat))
return sample
def get_simulation(sample):
n = 500
scan = ba.AlphaScan(n, 5*deg/n, 5*deg)
scan.setWavelength(WAVELENGTH)
return ba.SpecularSimulation(scan, sample)
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)
ba.plt.show()
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