Multi-scale crystal growth computations via an approximate block Newton method

Anomalous segregation during electrodynamic gradient freeze growth of cadmium zinc telluride

“…We note that this one-way coupling approach is still approximate, since it oversimplifies the heat load of the ampoule on the furnace. We have developed a rigorous method for model coupling (see [35,36]), but this approach is currently limited to steady-state computations thus was not employed for the results presented in this paper.…”

Simulating Interface Growth and Defect Generation in CZT – Simulation State of the Art and Known Gaps

“…For this report we will restrict the type of growth to vertical Bridgman growth, also termed vertical gradient freeze (VGF) or low-pressure Bridgman growth, although these modeling methods can be applied to other common growth geometries, such as traveling heater methods (THM) with little changes. At the level of the growth furnace and the melt crucible and treating the solid and liquid as continuum objects with specified physical and mechanical properties there are several key references regarding advances made in models and modeling approaches [7][8][9][10]. The main technical achievement in these models is the ability to accurately model the physics of CdTe and CZT in terms of heat transfer, including optical transparency, and to be able to couple two modeling scales in a selfconsistent manner.…”

“…The computational modeling regimes are divided into 6 levels that all have appeared in the crystal growth modeling literature as either separate or coupled regimes. 1) The Level 1 model is a furnace-level global model of heat transfer, fluid flow, and radiative heating have been solved and/or could be solved for any particular furnace system to a high level of thermal accuracy [7] as indicated in Figure 2 below. 2) Embedded in this Level 1 model is a Level 2 model that is more local.…”

“…a) It couples to the global model BCs and is embedded self-consistently in the Level 1 model [7]. i) This Level 2 model has no crystallographic texture or orientation data.…”

“…A schematic view of Level 1 and Level 2 models showing a global and local coupled model from Ref. [7]. A furnace Level 1 model (large meshed region) is explicitly coupled to an ampoule region Level 2 model (inset).…”