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