Arbitrary-pressure chemical vapor deposition modeling using direct simulation Monte Carlo with nonlinear surface chemistry

Authors:
Husain A. Al-Mohssen;Nicolas G. Hadjiconstantinou
Affiliations:
Mechanical Engineering Department, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA;Mechanical Engineering Department, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA
Venue:
Journal of Computational Physics
Year:
2004

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Abstract

We present a methodology for simulating chemical vapor deposition (CVD) which uses the direct simulation Monte Carlo (DSMC) method to capture gaseous phase transport in a wide Knudsen (Kn) range. This work bridges different CVD simulation methods developed for the Navier-Stokes (Kn → 0) and ballistic (Kn → ∞) regimes. Our methodology incorporates a nonlinear surface chemistry model as well as a level set based profile evolution formulation which accurately captures complex boundary evolution, and is capable of accurately predicting surface growth for arbitrary complex geometries and surface chemistry for a wide range of Knudsen numbers. The proposed approach is validated by comparing its predictions to existing numerical results in the ballistic (Kn → ∞) and diffusive (Kn ≪ 1) regimes.