Direct simulation Monte Carlo modeling of metal vapor flows in application to thin film deposition

Thin films of metal for electronics, nano/microelectromechanical systems and optical coatings are often prepared by various vacuum deposition techniques. Modeling such metal vapor flows using methods such as the direct simulation Monte Carlo (DSMC) can aid in the design and analysis of deposition systems and accelerate development of films with desired properties. The determination of suitable variable hard sphere (VHS) molecular model parameters for DSMC simulations using measured growth rate distribution is demonstrated with aluminum vapor as an example. Axisymmetric DSMC simulations using a VHS model corresponding to a reference diameter of 0.8 nm and a viscosity-temperature exponent of 1 are shown to agree well with available experimental data. The model is then used in two-dimensional DSMC simulations to study the interaction of plumes from multiple sources. An expression for substrate mass flux assuming no interaction between sources agrees well with DSMC simulations for a mass flow rate of 0.1 g/min corresponding to a Knudsen number (Kn) of about 0.1. The non-additive interaction of plumes at a higher flow rate of 1 g/min corresponding to a Kn of about 0.01 results in a higher mass flux non-uniformity in the DSMC simulations which is not captured by the simplified analytical expression.

► Direct simulation Monte Carlo used to study vapor transport in application to thin film depositions.
► Molecular model calibration from experimental measurements demonstrated with aluminum as example.
► Molecular model dependence on flow parameters quantified to aid in design of experiments suitable for calibration.
► Interaction of sources studied using direct simulation Monte Carlo and compared with approximate solutions.
► Dependence of mass flux distribution at substrate on the separation between sources studied.