Numerical simulation of heat conduction for the growth of anisotropic layered GaSe crystals

Abstract

In this report, we present the usage of a second rank cylindrical conductivity tensor which we derived to simulate the crystal growth processes of a layered compound GaSe in a cylindrical enclosure by directional solidification. Use of such a tensor is inevitable in the simulations of the growth of highly anisotropic crystals having layered structure, since the crystallographic orientation of the grown material is not necessarily aligned with the ampoule symmetry. Using the finite difference control volume approach in 3D, we solved transient heat conduction equation for a highly anisotropic solid in a cylindrical enclosure. We obtained sloped thermal fields and isothermal surfaces and the magnitudes of the slopes are strong functions of both azimuthal angle and growth orientation. The results showed that the orientation of the crystallographic axes of GaSe in the enclosure is quite effective in the steady and the transient fields, isotherms, and axial and radial temperature gradient within the material. Increase of Bi number decreases the magnitude of the slope of isothermal surface. Anisotropy of the conductivity seems to be effective in the orientation of the growth direction of the resulting crystal within the cylindrical ampoule.