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Modeling of SiC Crystal Growth by PVT with Virtual Reactor Software

VR PVT SiC (Virtual Reactor) is a software tool for the simulation of long-term growth of SiC bulk crystals from the vapor phase such as PVT and HTCVD. VR capabilities include analysis of thermal effects, chemical models, mass transfer, evolution of the crystal shape, powder charge degradation. Stress and dislocation dynamics can be simulated for both the growth itself and the cooling phase. Thus, results could include the density of threading and basal plane dislocations as well as residual stress. 

Software can be particularly useful for the following practical tasks:

  • Re-design of the furnace to achieve more favorable thermal profiles or mass transport patterns. Namely, software gives an opportunity to try multiple ideas for hardware changes quickly and inexpensively. It also provides immediate access to all the “monitoring” data. The models implemented in VR would reflect the effects of the modifications on the crystal shape, powder charge, possible parasitic deposition etc.
  • Development of the recipe. Because for bulk crystal growth one needs to optimize a set of time-dependent parameters such as variation of temperature, running long and expensive process over and over might be costly. Also, the interpretation of the results can be complicated by the lack of monitoring data. Software, on the other hand, allows to get closer to the optimal recipe quickly and without wasting resources. It narrows the experimental optimization to fine tuning phase only. Note that modeling approach is applicable for the heating stage, crystal growth recipe, and the cooling phase.
Powder charge and crystal shape evolution in PVT SiC

SiC crystal shape evolution and powder charge degradation as reported at IWMCG-9 (2018) by Galyukov et. al. 

Verification of crystal shape in PVT SiC. Simulation with Virtual Reactor

Shape Evolution

Modeling of the crystal shape evolution

Threading dislocation density in SiC crystal cross-section. Simulation results

Threading Dislocations

Tracking and mapping of threading dislocations

Modeling of residual stress in SiC during cooling

Cool Down Recipe

Effect of cooling recipe on residual stress and BPD density

Graphite particle in PVT SiC. Modeling of secondary phase inclusion

Graphite Particles

Analysis of forces acting on a graphite particle in the gas phase

Simulation of SiC powder degradation in virtual reactor

Powder Charge

Material evaporation and transport, granule size evolution, etc.

Modeling of poly-SiC deposits in PVT

Poly-SiC Deposits

Identification of areas where where polycrystalline SiC is expected and prediction of deposition rate

Simulation of high temperature CVD of SiC

HTCVD of SiC

With particle formation and transport

Publications by (or in collaboration with) VR Users

“Mechanisms and Modeling of Degradation of Graphite Crucible and Thermal Insulation During PVT Growth of SiC Crystals” by A. Smirnov, M. Bogdanov, L. Ristic, D. Zimina, A. Galyukov, Ł. Kantor, L. Valek. (STR Belgrade, STR US, Onsemi). Oral presentation at ICSCRM 2025.

“Effect of Material Loss through the Porous Crucible on SiC Bulk Crystal Growth” by Mark Ramm, M. Arzig, M. Bogdanov, A. Denisov, A. Kulik, B. Mamin, V. Neverov, R. Sidorov, D. Skvortsov, B. Spill, J. Steiner, P. Wellmann

“Observation of lattice plane bending during SiC PVT bulk growth using in-situ high energy x-ray diffraction” by R.Hock, K.Konias, L. Perdicaro, A.Magerl, P.Hens, P.J.Wellmann, Materials Science Forum Vols. 645-648 (2010) pp 29-32

“Bulk SiC Crystal Growth at Constant Growth Rate Utilizing a New Design of Resistive Furnace” by Eugene Tupitsyn, Alexander Galyukov, Maxim Bogdanov, Alexey Kulik, Mark Ramm, Yuri Makarov, Tangali Sudarshan, Materials Science Forum Vols. 600-603 (2009) pp 27-30

“In situ visualization of SiC physical vapor transport crystal growth” by PeterWellmann, ZiadHerro, AlbrechtWinnacker, RolandPüsche, MartinHundhausen, PierreMasri, AlexeyKulik, MaximBogdanov, SergeyKarpov, MarkRamm, YuriMakarov, Journal of Crystal Growth 275, p.1-2, (2005)

“Modeling analysis of free-spreading sublimation growth of SiC crystals” by Bogdanov M.V., Demina S.E., Karpov S.Yu., Kulik A.V., Ofengeim D.Kh., Ramm M.S., Mokhov E.N., Roenkov A.D., Vodakov Yu.A., Makarov Yu.N., Helava H., Materials Research Society Symposium Proceedings, Vol.742, p.K1.3, (2003)

“Inverse-computation design of a SiC bulk crystal growth system”, Kulik A.V., Demina S.E., Kochuguev S.K., Ofengeim D.Kh., Karpov S.Yu., Vorob’ev A.N., M.V. Bogdanov, Ramm M.S., Zhmakin A.I., Alonso A.A., Gurevich S.G., Makarov Yu.N., Materials Research Society Symposium Proceedings, Vol.640, p.H1.6.1-H1.6.6, (2001)

“Global numerical simulation of heat and mass transfer for SiC bulk crystal growth by PVT” by Selder M., Kadinski L., Makarov Yu., Durst F., Wellmann P., Straubinger T., Hofmann D., Karpov S., Ramm M., Journal of Crystal Growth, Vol.211, p.333-338, (2000)

 

Recent publications

“Effect of Crucible and Thermal Insulation Porosity on Growth Rate and Nitrogen Incorporation in PVT SiC” by A. Smirnov, M. Bogdanov, L. Ristic, D. Zimina, A. Galyukov, (STR Belgrade, STR US). Poster presentation at ICSCRM 2025.