def create_meso(self):
ff_meso = ba.FormFactorCylinder(self.m_meso_radius, self.m_meso_height)
lattice = self.create_lattice(self.m_lattice_length_a,
self.m_lattice_length_c)
basis = self.create_basis(self.particle_material, lattice,
self.m_nanoparticle_radius,
self.m_sigma_nanoparticle_radius,
self.m_nparticles)
npc = ba.Crystal(basis, lattice)
dw_factor = self.particle_pos_sigma * self.particle_pos_sigma
npc.setPositionVariance(dw_factor)
result = ba.MesoCrystal(npc, ff_meso)
if self.m_rotation_z != 0.0:
rotZ = ba.RotationZ(self.m_rotation_z * deg)
result.setRotation(rotZ)
if self.m_rotation_x != 0.0:
rotX = ba.RotationX(self.m_rotation_x * deg)
result.rotate(rotX)
return result
def get_sample_rot_distr():
# create materials
substrate_material = ba.HomogeneousMaterial("Substrate", 6.05878e-6,
6.94321e-11)
particle_material = ba.HomogeneousMaterial("ParticleCore", -0.609e-6,
0.183e-6)
layer_material = ba.HomogeneousMaterial("D2O", 1.85762e-5, 3.31309e-11)
# create mesocrystal
# lattice
lat = create_hex_lattice(distance, length)
# basis particle
ff = ba.FormFactorCylinder(radius, length)
particle = ba.Particle(particle_material, ff)
# rotate cylinder to make it parallel to the substrate
rotation = ba.RotationY(90.0 * ba.degree)
particle.setRotation(rotation)
basis = ba.ParticleComposition(particle)
# mesocrystal
total_height = nbr_layers * distance * np.sin(hex_angle)
# using a Gaussian form factor as the overall shape of where the cylinders are
meso_ff = ba.FormFactorGauss(meso_width, total_height)
# assemble them into mesocrystal
npc = ba.Crystal(basis, lat)
dw_factor = 0.2
npc.setDWFactor(dw_factor)
meso = ba.MesoCrystal(npc, meso_ff)
# rotate mesocrystal
rot_y = ba.RotationY(180.0 * ba.degree)
meso.setRotation(rot_y) # turn upside down
rot_z = ba.RotationZ(0.1 * ba.degree)
meso.applyRotation(rot_z) # rotate around Z
meso.setPosition(0.0, 0.0, 0.0)
# add uniform distribution of the domain orientations
rot_distr = ba.DistributionGate((90.0 - rz_range) * ba.degree,
(90.0 + rz_range) * ba.degree)
ang_distr = ba.ParameterDistribution("*MesoCrystal/EulerRotation/Gamma",
rot_distr, rz_num)
part_coll = ba.ParticleDistribution(meso, ang_distr)
# Create multilayer
multi_layer = ba.MultiLayer()
d2o_layer = ba.Layer(layer_material)
substrate_layer = ba.Layer(substrate_material)
particle_layout = ba.ParticleLayout()
particle_layout.addParticle(part_coll)
d2o_layer.addLayout(particle_layout)
# the sample is upside down
multi_layer.addLayer(substrate_layer)
multi_layer.addLayer(d2o_layer)
return multi_layer
def get_sample():
# Defining Materials
m_air = ba.HomogeneousMaterial("Air", 0.0, 0.0)
m_particle = ba.HomogeneousMaterial("Particle", 0.0006, 2e-08)
m_substrate = ba.HomogeneousMaterial("Substrate", 6e-06, 2e-08)
# Defining Layers
l_air = ba.Layer(m_air)
l_substrate = ba.Layer(m_substrate)
# Spherical particles, form the base of the mesocrystal
ff_sphere = ba.FormFactorFullSphere(particle_radius)
sphere = ba.Particle(m_particle, ff_sphere)
# mesocrystal lattice (cubic lattice for this example)
lattice_a = ba.kvector_t(lattice_length, 0.0, 0.0)
lattice_b = ba.kvector_t(0.0, lattice_length, 0.0)
lattice_c = ba.kvector_t(0.0, 0.0, lattice_length)
lattice = ba.Lattice(lattice_a, lattice_b, lattice_c)
# crystal structure
crystal = ba.Crystal(sphere, lattice)
# uncomment to add variance of displacement in each dimension (sigma^2)
# crystal.setDWFactor(2) # for BornAgain 1.16 and below
# crystal.setPositionVariance(2) # for BornAgain 1.17+
# mesocrystal
# meso_ff = ba.FormFactorBox(meso_length, meso_width, meso_height) # Box
# meso_ff = ba.FormFactorCylinder(meso_width/2.0, meso_height) # Cylinder
# meso_ff = ba.FormFactorTruncatedSphere(meso_width/2.0, meso_height) # Tr. Sphere
# meso_ff = ba.FormFactorGauss(meso_width, meso_height) # Gauss
meso_ff = ba.FormFactorLorentz(meso_width, meso_height) # Lorentz
meso = ba.MesoCrystal(crystal, meso_ff)
layout = ba.ParticleLayout()
layout.addParticle(meso)
# Adding layouts to layers
l_air.addLayout(layout)
# Defining Multilayers
multilayer = ba.MultiLayer()
multilayer.addLayer(l_air)
multilayer.addLayer(l_substrate)
# print(multilayer.parametersToString())
return multilayer
def create_meso(self):
lattice = self.create_lattice(self.m_lattice_length_a,
self.m_lattice_length_c)
basis = self.create_basis(self.particle_material, lattice)
ff_meso = self.create_outer_formfactor()
npc = ba.Crystal(basis, lattice)
npc.setPositionVariance(self.particle_pos_sigma *
self.particle_pos_sigma)
result = ba.MesoCrystal(npc, ff_meso)
if self.m_rotation_z != 0.0:
rotZ = ba.RotationZ(self.m_rotation_z * deg)
result.setRotation(rotZ)
if self.m_rotation_x != 0.0:
rotX = ba.RotationX(self.m_rotation_x * deg)
result.rotate(rotX)
return result
def get_sample():
"""
Returns a sample with a cylindrically shaped mesocrystal on a substrate.
"""
# defining materials
m_ambience = 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)
# mesocrystal lattice
lattice_basis_1 = ba.kvector_t(5.0, 0.0, 0.0)
lattice_basis_2 = ba.kvector_t(0.0, 5.0, 0.0)
lattice_basis_3 = ba.kvector_t(0.0, 0.0, 5.0)
lattice = ba.Lattice(lattice_basis_1, lattice_basis_2, lattice_basis_3)
# spherical particle that forms the base of the mesocrystal
sphere_ff = ba.FormFactorFullSphere(2 * nm)
sphere = ba.Particle(m_particle, sphere_ff)
# crystal structure
crystal = ba.Crystal(sphere, lattice)
# mesocrystal
meso_ff = ba.FormFactorCylinder(20 * nm, 50 * nm)
meso = ba.MesoCrystal(crystal, meso_ff)
particle_layout = ba.ParticleLayout()
particle_layout.addParticle(meso)
air_layer = ba.Layer(m_ambience)
air_layer.addLayout(particle_layout)
substrate_layer = ba.Layer(m_substrate)
multi_layer = ba.MultiLayer()
multi_layer.addLayer(air_layer)
multi_layer.addLayer(substrate_layer)
return multi_layer