Practice-oriented optical thin film growth simulation via multiple scale approach

Simulation in thin film technology

“…These include the particle flux density as well as the energy and angular distribution functions. For ion beam sputtering, a coupled simulation model consisting of a DSMC transport simulation and subsequent Molecular Dynamics simulation of TiO 2 is demonstrated in [22].…”

“…These approximations depend essentially on the increase of the deposition ratio [21] or the reduction of considered atoms in the deposition event modeling. Applying these kinds of approximations, structure sizes including 10 5 -10 6 atoms can be achieved [19,22] and hence, thin film thicknesses of few tens of nm can be modeled depending on the used ground structure area. In figure 1, the resulting layer density and surface roughness is shown for modeled Al 2 O 3 thin films applying different sets of discrete deposition energies and angles of incidence (AOI).…”

“…Applying the concept of the virtual coater, a simulation of the full coating process becomes possible. Further details of the applied software interfaces between the different techniques and the transferred data sets can be found in [22]. The schematical representation of the virtual coater concept is displayed in figure 4.…”

“…The discussed concept can be applied to various coating plants and techniques, because the geometry and the characteristic process parameters are integrated into the simulation. In [22], the multiple scale model has been applied to an existing IBS coating facility to investigate the growth of TiO 2 single layers. The final comparison of optical data shows a good agreement between experimental and calculated index of refraction.…”

Multiple scale modeling of Al2O3thin film growth in an ion beam sputtering process

“…A more detailed description of the procedure is published in [1,9]. In the first part the supercell is subjected to a relaxation of the atomic positions applying QM algorithms until an equilibrium state is reached.…”