def get_sample():
"""
Returns a sample with uncorrelated cylinders and prisms on a substrate.
"""
# defining materials
m_vacuum = ba.HomogeneousMaterial("Vacuum", 0.0, 0.0)
m_substrate = ba.HomogeneousMaterial("Substrate", 6e-6, 2e-8)
m_particle = ba.HomogeneousMaterial("Particle", 6e-4, 2e-8)
# collection of particles
cylinder_ff = ba.FormFactorCylinder(5 * nm, 5 * nm)
cylinder = ba.Particle(m_particle, cylinder_ff)
prism_ff = ba.FormFactorPrism3(10 * nm, 5 * nm)
prism = ba.Particle(m_particle, prism_ff)
particle_layout = ba.ParticleLayout()
particle_layout.addParticle(cylinder, 0.5)
particle_layout.addParticle(prism, 0.5)
interference = ba.InterferenceFunctionNone()
particle_layout.setInterferenceFunction(interference)
# vacuum layer with particles and substrate form multi layer
vacuum_layer = ba.Layer(m_vacuum)
vacuum_layer.addLayout(particle_layout)
substrate_layer = ba.Layer(m_substrate)
multi_layer = ba.MultiLayer()
multi_layer.addLayer(vacuum_layer)
multi_layer.addLayer(substrate_layer)
print(multi_layer.treeToString())
return multi_layer
def get_sample():
"""
Returns a sample with uncorrelated cylinders and prisms on a substrate.
Parameter set is fixed.
"""
# defining materials
m_air = ba.HomogeneousMaterial("Air", 0.0, 0.0)
m_substrate = ba.HomogeneousMaterial("Substrate", 6e-6, 2e-8)
m_particle = ba.HomogeneousMaterial("Particle", 6e-4, 2e-8)
# collection of particles
cylinder_ff = ba.FormFactorCylinder(5 * nm, 5 * nm)
cylinder = ba.Particle(m_particle, cylinder_ff)
prism_ff = ba.FormFactorPrism3(5 * nm, 5 * nm)
prism = ba.Particle(m_particle, prism_ff)
layout = ba.ParticleLayout()
layout.addParticle(cylinder, 0.5)
layout.addParticle(prism, 0.5)
interference = ba.InterferenceFunctionNone()
layout.setInterferenceFunction(interference)
# air layer with particles and substrate form multi layer
air_layer = ba.Layer(m_air)
air_layer.addLayout(layout)
substrate_layer = ba.Layer(m_substrate, 0)
multi_layer = ba.MultiLayer()
multi_layer.addLayer(air_layer)
multi_layer.addLayer(substrate_layer)
return multi_layer
def get_sample(params):
"""
Returns a sample with uncorrelated cylinders and prisms on a substrate.
"""
cylinder_height = params["cylinder_height"]
cylinder_radius = params["cylinder_radius"]
prism_height = params["prism_height"]
prism_base_edge = params["prism_base_edge"]
# defining materials
m_vacuum = ba.HomogeneousMaterial("Vacuum", 0.0, 0.0)
m_substrate = ba.HomogeneousMaterial("Substrate", 6e-6, 2e-8)
m_particle = ba.HomogeneousMaterial("Particle", 6e-4, 2e-8)
# collection of particles
cylinder_ff = ba.FormFactorCylinder(cylinder_radius, cylinder_height)
cylinder = ba.Particle(m_particle, cylinder_ff)
prism_ff = ba.FormFactorPrism3(prism_base_edge, prism_height)
prism = ba.Particle(m_particle, prism_ff)
layout = ba.ParticleLayout()
layout.addParticle(cylinder, 0.5)
layout.addParticle(prism, 0.5)
interference = ba.InterferenceFunctionNone()
layout.setInterferenceFunction(interference)
# vacuum layer with particles and substrate form multi layer
vacuum_layer = ba.Layer(m_vacuum)
vacuum_layer.addLayout(layout)
substrate_layer = ba.Layer(m_substrate, 0)
multi_layer = ba.MultiLayer()
multi_layer.addLayer(vacuum_layer)
multi_layer.addLayer(substrate_layer)
return multi_layer
def get_sample():
"""
Returns a sample with box-shaped core-shell particles on a substrate.
"""
# defining materials
m_vacuum = ba.HomogeneousMaterial("Vacuum", 0.0, 0.0)
m_shell = ba.HomogeneousMaterial("Shell", 1e-4, 2e-8)
m_core = ba.HomogeneousMaterial("Core", 6e-5, 2e-8)
# collection of particles
parallelepiped1_ff = ba.FormFactorBox(16 * nm, 16 * nm, 8 * nm)
parallelepiped2_ff = ba.FormFactorBox(12 * nm, 12 * nm, 7 * nm)
shell_particle = ba.Particle(m_shell, parallelepiped1_ff)
core_particle = ba.Particle(m_core, parallelepiped2_ff)
core_position = ba.kvector_t(0.0, 0.0, 0.0)
particle = ba.ParticleCoreShell(shell_particle, core_particle,
core_position)
particle_layout = ba.ParticleLayout()
particle_layout.addParticle(particle)
interference = ba.InterferenceFunctionNone()
particle_layout.setInterferenceFunction(interference)
vacuum_layer = ba.Layer(m_vacuum)
vacuum_layer.addLayout(particle_layout)
multi_layer = ba.MultiLayer()
multi_layer.addLayer(vacuum_layer)
return multi_layer
def runSimulation():
# defining materials
mAmbience = ba.HomogeneousMaterial("Air", 0.0, 0.0)
mSubstrate = ba.HomogeneousMaterial("Substrate", 6e-6, 2e-8)
magnetic_field = ba.kvector_t(0, 0, 0)
magParticle = ba.HomogeneousMaterial("magParticle", 6e-4, 2e-8, magnetic_field )
# collection of particles
cylinder_ff = ba.FormFactorCylinder(5*nanometer, 5*nanometer)
cylinder = ba.Particle(magParticle, cylinder_ff)
particle_layout = ba.ParticleLayout()
particle_layout.addParticle(cylinder, 1.0)
interference = ba.InterferenceFunctionNone()
particle_layout.setInterferenceFunction(interference)
# air layer with particles and substrate form multi layer
air_layer = ba.Layer(mAmbience)
air_layer.addLayout(particle_layout)
substrate_layer = ba.Layer(mSubstrate, 0)
multi_layer = ba.MultiLayer()
multi_layer.addLayer(air_layer)
multi_layer.addLayer(substrate_layer)
# build and run experiment
simulation = ba.GISASSimulation()
simulation.setDetectorParameters(100, 0*degree, 2.0*degree, 100, 0.0*degree, 2.0*degree)
simulation.setBeamParameters(1.0*angstrom, 0.2*degree, 0.0*degree)
simulation.setSample(multi_layer)
simulation.setBeamIntensity(1e2)
simulation.runSimulation()
## intensity data
return simulation.result()
def get_sample():
"""
Returns a sample
"""
# defining materials
m_si = ba.MaterialBySLD("Si", sld_Si, sld_Si_im)
m_d2o = ba.MaterialBySLD("D2O", sld_D2O, sld_D2O_im)
m_polymer = ba.MaterialBySLD("Polymer", sld_polymer, sld_polymer_im)
# particle layout
microgel_layout = ba.ParticleLayout()
# weights for components
w_particles = 0.005
w_oz = 0.5
w_db = 1.0 - w_oz - w_particles
# fluctuation component
ff_oz = ba.FormFactorOrnsteinZernike(1000, 10.0 * nm, 5.0 * nm)
particle_oz = ba.Particle(m_polymer, ff_oz)
microgel_layout.addParticle(particle_oz, w_oz)
# Debye-Buche component
ff_db = ba.FormFactorDebyeBueche(1000, 20.0 * nm)
particle_db = ba.Particle(m_polymer, ff_db)
microgel_layout.addParticle(particle_db, w_db)
# collection of particles
radius = 100.0 * nm
ff = ba.FormFactorTruncatedSphere(radius=radius, height=radius)
particle = ba.Particle(m_polymer, ff)
particle.setPosition(ba.kvector_t(0.0, 0.0, -1.0 * radius))
microgel_layout.addParticle(particle, w_particles)
# no interference function
interference = ba.InterferenceFunctionNone()
microgel_layout.setInterferenceFunction(interference)
microgel_layout.setTotalParticleSurfaceDensity(1e-6)
d2o_layer = ba.Layer(m_d2o)
d2o_layer.addLayout(microgel_layout)
si_layer = ba.Layer(m_si)
multi_layer = ba.MultiLayer()
multi_layer.addLayer(si_layer)
multi_layer.addLayer(d2o_layer)
return multi_layer
def get_sample():
"""
Returns a sample
"""
# defining materials
m_si = ba.MaterialBySLD("Si", sld_Si, sld_Si_im)
m_d2o = ba.MaterialBySLD("D2O", sld_D2O, sld_D2O_im)
m_core = ba.MaterialBySLD("Me3O5:D2O2", 2.0 * 1.0e-06, 0.0)
m_shell = ba.MaterialBySLD("Me3O5:D2O", 3.9 * 1.0e-06, 0.0)
# layer with particles
# calculate average SLD
Vcore = vol(core_radius, core_height)
Vshell = vol(radius, height) - Vcore
f_d2o = 0.7
f_core = (1.0 - f_d2o) / (1 + Vshell / Vcore)
f_shell = (1.0 - f_d2o) / (1 + Vcore / Vshell)
sld_mix = f_d2o * sld_D2O + f_shell * 3.9 * 1.0e-06 + f_core * 2.0 * 1.0e-06
m_mix = ba.MaterialBySLD("mix", sld_mix, 0.0)
# fluctuation component
ff_microgel = FormFactorMicrogel(b, xi, xiz)
microgel = ba.Particle(m_core, ff_microgel)
microgel_layout = ba.ParticleLayout()
microgel_layout.addParticle(microgel, 1.0)
# collection of particles
ff = ba.FormFactorTruncatedSphere(radius=radius, height=height)
ff_core = ba.FormFactorTruncatedSphere(radius=core_radius,
height=core_height)
transform = ba.RotationY(180.0 * deg)
shell_particle = ba.Particle(m_shell, ff)
core_particle = ba.Particle(m_core, ff_core)
core_position = ba.kvector_t(0.0, 0.0, 0.0)
particle = ba.ParticleCoreShell(shell_particle, core_particle,
core_position)
particle.setPosition(ba.kvector_t(0.0, 0.0, 0.0))
particle.setRotation(transform)
nparticles = 2 # the larger is this number, the more slow will be the simulation. 10 is usually enough
sigma = 0.2 * radius
gauss_distr = ba.DistributionGaussian(radius, sigma)
sigma_factor = 2.0
par_distr = ba.ParameterDistribution(
"/ParticleCoreShell/Particle1/TruncatedSphere/Radius",
gauss_distr, nparticles, sigma_factor,
ba.RealLimits.lowerLimited(core_radius + 1.0))
par_distr.linkParameter(
"/ParticleCoreShell/Particle1/TruncatedSphere/Height")
par_distr.linkParameter(
"/ParticleCoreShell/Particle0/TruncatedSphere/Height")
par_distr.linkParameter(
"/ParticleCoreShell/Particle0/TruncatedSphere/Radius")
part_coll = ba.ParticleDistribution(particle, par_distr)
microgel_layout.addParticle(part_coll, 1.2e-05)
# interference can be neglected
interference = ba.InterferenceFunctionNone()
microgel_layout.setInterferenceFunction(interference)
# describe layer roughness
roughness = ba.LayerRoughness()
roughness.setSigma(1.2 * ba.nm)
roughness.setHurstParameter(0.8)
roughness.setLatteralCorrLength(570.0 * ba.nm)
# create layers
d2o_layer = ba.Layer(m_d2o)
mix_layer = ba.Layer(m_mix, 2.0 * height)
mix_layer.addLayout(microgel_layout)
si_layer = ba.Layer(m_si)
multi_layer = ba.MultiLayer()
multi_layer.addLayer(si_layer)
multi_layer.addLayer(mix_layer)
multi_layer.addLayerWithTopRoughness(d2o_layer, roughness)
return multi_layer
