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 get_sample():
"""
Returns a sample with a magnetic core-shell particle in a solvent.
"""
# Defining Materials
mat_solvent = ba.HomogeneousMaterial("Solvent", 5e-6, 0.0)
mat_core = ba.HomogeneousMaterial("Core", 6e-6, 2e-8,
magnetization_core)
mat_shell = ba.HomogeneousMaterial("Shell", 1e-7, 2e-8)
# Defining Layer
solvent_layer = ba.Layer(mat_solvent)
# Defining particle layout with a core-shell particle
layout = ba.ParticleLayout()
core_sphere_ff = ba.FormFactorFullSphere(10*nm)
shell_sphere_ff = ba.FormFactorFullSphere(12*nm)
core = ba.Particle(mat_core, core_sphere_ff)
shell = ba.Particle(mat_shell, shell_sphere_ff)
position = kvector_t(0.0, 0.0, 2.0)
particleCoreShell = ba.ParticleCoreShell(shell, core, position)
layout.addParticle(particleCoreShell)
# Adding layout to layer
solvent_layer.addLayout(layout)
# Defining Multilayer with single layer
multiLayer = ba.MultiLayer()
multiLayer.addLayer(solvent_layer)
return multiLayer
def get_sample():
# Defining Materials
material_1 = ba.HomogeneousMaterial("Air", 0.0, 0.0)
material_2 = ba.MaterialBySLD("Au", 4.6665e-06, -1.6205e-08)
material_3 = ba.MaterialBySLD("Si", 2.0737e-06, -2.3758e-11)
# Defining Layers
layer_1 = ba.Layer(material_1)
layer_2 = ba.Layer(material_3)
formFactor_1 = ba.FormFactorCone6(159.0 * nm, 640.0 * nm, 86.0 * deg)
formFactor_2 = ba.FormFactorCone6(157.0 * nm, 640.0 * nm, 86.0 * deg)
formFactor_3 = ba.FormFactorTruncatedSphere(115.0 * nm, 160.0 * nm,
0.0 * nm)
particle_1 = ba.Particle(material_2, formFactor_1)
particle_2 = ba.Particle(material_3, formFactor_2)
particle_3 = ba.Particle(material_2, formFactor_3)
particle_3_position = kvector_t(0.0 * nm, 0.0 * nm, 640.0 * nm)
particle_3.setPosition(particle_3_position)
# Defining Core Shell Particles
particleCoreShell_1 = ba.ParticleCoreShell(particle_2, particle_1)
particleCoreShell_1_rotation = ba.RotationZ(0 * deg)
particleCoreShell_1.setRotation(particleCoreShell_1_rotation)
# Defining composition of particles at specific positions
particleComposition_1 = ba.ParticleComposition()
particleComposition_1.addParticle(particleCoreShell_1)
particleComposition_1.addParticle(particle_3)
particleComposition_1_rotation = ba.RotationX(0.0 * deg)
particleComposition_1.setRotation(particleComposition_1_rotation)
# Defining Interference Functions
interference_1 = ba.InterferenceFunction2DLattice(
1500.0 * nm, 1500.0 * nm, 120.0 * deg, i * deg)
interference_1_pdf = ba.FTDecayFunction2DCauchy(
1000.0 * nm, 1000.0 * nm, 0.0 * deg)
interference_1.setDecayFunction(interference_1_pdf)
interference_1.setPositionVariance(500.0 * nm2)
# Defining Particle Layouts and adding Particles
layout_1 = ba.ParticleLayout()
layout_1.addParticle(particleComposition_1, 1.0)
layout_1.setInterferenceFunction(interference_1)
layout_1.setTotalParticleSurfaceDensity(0.000001)
# Adding layouts to layers
layer_1.addLayout(layout_1)
# Defining Multilayers
multiLayer_1 = ba.MultiLayer()
multiLayer_1.addLayer(layer_1)
multiLayer_1.addLayer(layer_2)
return multiLayer_1
def get_sample():
# Defining Materials
material_1 = ba.HomogeneousMaterial("Air", 0.0, 0.0)
material_2 = ba.MaterialBySLD("Au", 4.6665e-06, -1.6205e-08)
material_3 = ba.MaterialBySLD("Si", 2.0737e-06, -2.3758e-11)
material_4 = ba.MaterialBySLD("Fe", 7.9486e-06, -5.9880e-10)
# Defining Layers
layer_1 = ba.Layer(material_1)
layer_2 = ba.Layer(material_3)
formFactor_1 = ba.FormFactorCone6(85 * nm, 385.0 * nm, 86.0 * deg)
formFactor_2 = ba.FormFactorCone6(84 * nm, 385.0 * nm, 86.0 * deg)
formFactor_3 = ba.FormFactorTruncatedSphere(68.0 * nm, 95.0 * nm,
0.0 * nm)
particle_1 = ba.Particle(material_4, formFactor_1)
particle_2 = ba.Particle(material_3, formFactor_2)
particle_3 = ba.Particle(material_2, formFactor_3)
particle_3_position = kvector_t(0.0 * nm, 0.0 * nm, 385.0 * nm)
particle_3.setPosition(particle_3_position)
# Defining Core Shell Particles
particleCoreShell_1 = ba.ParticleCoreShell(particle_2, particle_1)
particleCoreShell_1_rotation = ba.RotationZ(i * deg)
particleCoreShell_1.setRotation(particleCoreShell_1_rotation)
# Defining composition of particles at specific positions
particleComposition_1 = ba.ParticleComposition()
particleComposition_1.addParticle(particleCoreShell_1)
particleComposition_1.addParticle(particle_3)
particleComposition_1_rotation = ba.RotationX(0.0 * deg)
particleComposition_1.setRotation(particleComposition_1_rotation)
# Defining Particle Layouts and adding Particles
layout_1 = ba.ParticleLayout()
layout_1.addParticle(particleComposition_1, 1.0)
layout_1.setTotalParticleSurfaceDensity(0.01)
# Adding layouts to layers
layer_1.addLayout(layout_1)
# Defining Multilayers
multiLayer_1 = ba.MultiLayer()
multiLayer_1.addLayer(layer_1)
multiLayer_1.addLayer(layer_2)
return multiLayer_1
def get_sample():
# Defining Materials
material_1 = ba.HomogeneousMaterial("Air", 0.0, 0.0)
material_2 = ba.MaterialBySLD("Au", 4.6665e-06, -1.6205e-08)
material_3 = ba.MaterialBySLD("Si", 2.0737e-06, -2.3758e-11)
# Defining Layers
layer_1 = ba.Layer(material_1)
layer_2 = ba.Layer(material_3)
# Defining Form Factors
formFactor_1 = ba.FormFactorCone6(90.0 * nm, 270.0 * nm, 75.0 * deg)
formFactor_2 = ba.FormFactorCone6(88.0 * nm, 270.0 * nm, 75.0 * deg)
# Defining Particles
particle_1 = ba.Particle(material_2, formFactor_1)
particle_2 = ba.Particle(material_3, formFactor_2)
# Defining Core Shell Particles
particleCoreShell_1 = ba.ParticleCoreShell(particle_2, particle_1)
particleCoreShell_1_rotation = ba.RotationZ(i * deg)
particleCoreShell_1.setRotation(particleCoreShell_1_rotation)
# Defining Particle Layouts and adding Particles
layout_1 = ba.ParticleLayout()
layout_1.addParticle(particleCoreShell_1, 1.0)
layout_1.setTotalParticleSurfaceDensity(0.0001)
# Defining Roughness Parameters
# layerRoughness_1 = ba.LayerRoughness(1.0, 0.3, 5.0*nm)
# Adding layouts to layers
layer_1.addLayout(layout_1)
# Defining Multilayers
multiLayer_1 = ba.MultiLayer()
multiLayer_1.addLayer(layer_1)
multiLayer_1.addLayer(layer_2)
# multiLayer_1.addLayerWithTopRoughness(layer_2, layerRoughness_1)
return multiLayer_1
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
