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Overview of home designed software used for PVT growth modeling

The physical phenomena involved in bulk crystal growth by sublimation are strongly coupled with each other. To model the growth, we use specially designed software tools accounting for major specific features of PVT growth. To study SiC and AlN growth, we used software tool Virtual Reactor designed by STR, which is now commercially available.
Virtual Reactor simulates global heat transfer in the whole system and inside the crucible, mass transport in the growth cell and powder charge, accounting for deposit formation and for evolution of the powder source during long-term growth. The problem is considered in 2D axisymmetric approximation that provides an adequate simulation of the sublimation growth of AlN and hexagonal SiC polytypes.

Simulated physical phenomena

The employed software tool provides the modeling of the following processes:
  • The global heat transfer problem in a system for SiC crystal growth, which includes
    • inductive heating.
    • conductive heat transfer in solid materials.
    • heat transfer in the SiC powder. An effective heat conductivity is calculated from the powder characteristics.
    • radiative heat transfer in transparent gas blocks.
  • Species transport in the clearance between the powder and the seed, which includes
    • multi-component diffusion in the Wilky approximation.
    • thermal diffusion.
    • convection.
  • Mass transfer in the powder charge.
  • Crystal evolution within the quasi-stationary approximation.
  • Prediction of parasitic poly-SiC deposit formation on the crucible walls.
  • Thermal stress distribution in the crystal.
  • Dislocation density distribution in the crystal calculated on the assumption of a full stress relaxation due to plastic deformation.

Publications

[1] Bogdanov M.V., Galyukov A.O., Karpov S.Yu., Kulik A.V., Kochuguev S.K., Ofengeim D.Kh., Tsirulnikov A.V., Ramm M.S., Zhmakin A.I., Makarov Yu.N.
Virtual reactor as a new tool for modeling and optimization of SiC bulk crystal growth.
Journal of Crystal Growth, Vol.225, p.307-311, (2001)

[2] Bogdanov M.V., Galyukov A.O., Karpov S.Yu., Kulik A.V., Kochuguev S.K., Ofengeim D.Kh., Tsirulnikov A.V., Zhmakin I.A., Komissarov A.E., Bord O.V., Ramm M.S., Zhmakin A.I., Makarov Yu.N.
Virtual reactor: a new tool for SiC bulk crystal growth study and optimization.
Materials Science Forum, Vol.353-356, p.57-60, (2001)

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