### Mesocrystal

This examples deals with the modelling of a cylindrically shaped mesocrystal on a substrate. With this scope, three lattice basis vectors are defined, using spherical particles as the base of a first crystal structure. This base crystal structure is later combined with a cylinder form factor to form the mesocrystal.

The basis vectors of the base crystal are $5 , {\rm nm}$ each, the sperical particles have a radius of $2 , {\rm nm}$ and the cylindrical form factor to shape the mesocrystal is $20 , {\rm nm}$ in radius and $50 , {\rm nm}$ in height.

  1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67  #!/usr/bin/env python3 """ Cylindrical mesocrystal on a substrate """ import bornagain as ba from bornagain import deg, nm, kvector_t def get_sample(): """ Returns a sample with a cylindrically shaped mesocrystal on a substrate. """ # Define materials material_Particle = ba.HomogeneousMaterial("Particle", 0.0006, 2e-08) material_Substrate = ba.HomogeneousMaterial("Substrate", 6e-06, 2e-08) material_Vacuum = ba.HomogeneousMaterial("Vacuum", 0, 0) # Define form factors ff_1 = ba.FormFactorFullSphere(2*nm) ff_2 = ba.FormFactorCylinder(20*nm, 50*nm) # Define particles particle_1 = ba.Particle(material_Particle, ff_1) # Define 3D lattices lattice = ba.Lattice3D(ba.kvector_t(5*nm, 0, 0), ba.kvector_t(0, 5*nm, 0), ba.kvector_t(0, 0, 5*nm)) # Define crystals crystal = ba.Crystal(particle_1, lattice) # Define mesocrystals particle_2 = ba.MesoCrystal(crystal, ff_2) # Define particle layouts layout = ba.ParticleLayout() layout.addParticle(particle_2, 1) layout.setWeight(1) layout.setTotalParticleSurfaceDensity(0.01) # Define layers layer_1 = ba.Layer(material_Vacuum) layer_1.addLayout(layout) layer_2 = ba.Layer(material_Substrate) # Define sample sample = ba.MultiLayer() sample.addLayer(layer_1) sample.addLayer(layer_2) return sample def get_simulation(sample): beam = ba.Beam(1, 0.1*nm, ba.Direction(0.2*deg, 0)) detector = ba.SphericalDetector(200, -2*deg, 2*deg, 200, 0, 2*deg) simulation = ba.GISASSimulation(beam, sample, detector) return simulation if __name__ == '__main__': import ba_plot sample = get_sample() simulation = get_simulation(sample) ba_plot.run_and_plot(simulation) 
MesoCrystal.py