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A Phase-Field Model Coupled with Lattice Kinetics Solver for Modeling Crystal Growth in Furnaces

Published online by Cambridge University Press:  03 June 2015

Guang Lin*
Affiliation:
Computational Mathematics Group, Pacific Northwest National Laboratory, Richland, WA 99352 USA
Jie Bao*
Affiliation:
Fluid and Computational Engineering Group, Northwest National Laboratory, Richland, WA 99352 USA
Zhijie Xu*
Affiliation:
Computational Mathematics Group, Pacific Northwest National Laboratory, Richland, WA 99352 USA
Alexandre M. Tartakovsky*
Affiliation:
Computational Mathematics Group, Pacific Northwest National Laboratory, Richland, WA 99352 USA
Charles H. Henager Jr.*
Affiliation:
Engineering Mechanics and Structure Materials Group, Northwest National Laboratory, Richland, WA 99352 USA
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Abstract

In this study, we present a new numerical model for crystal growth in a vertical solidification system. This model takes into account the buoyancy induced convective flow and its effect on the crystal growth process. The evolution of the crystal growth interface is simulated using the phase-field method. A semi-implicit lattice kinetics solver based on the Boltzmann equation is employed to model the unsteady incompressible flow. This model is used to investigate the effect of furnace operational conditions on crystal growth interface profiles and growth velocities. For a simple case of macroscopic radial growth, the phase-field model is validated against an analytical solution. The numerical simulations reveal that for a certain set of temperature boundary conditions, the heat transport in the melt near the phase interface is diffusion dominant and advection is suppressed.

Type
Research Article
Copyright
Copyright © Global Science Press Limited 2014

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References

[1] Yildiz, M., Dost, S., Lent, B., Growth of bulk SiGe single crystals by liquid phase diffusion, J. Cryst. Growth 280 (1) (2005) 151–160.Google Scholar
[2] Yildiz, M., Dost, S., A continuum model for the liquid phase diffusion growth of bulk SiGe single crystals, International Journal of Engineering Science 43 (2005) 1059–1080.Google Scholar
[3] Becker, U., Zimmermann, H., Rudolph, P., Boyn, R., Optical study of the impurity distribution in vertical-Bridgman-grown CdTe crystals, Phys. Status Solidi (A) Applied Research 112 (2) (1989) 569–578.Google Scholar
[4] Hermon, H., Schieber, M., James, R., Lund, J., Antolak, A., Morse, D., Kolesnikov, N., Ivanov, Y., Goorsky, M., Yoon, H., Toney, J., Schlesinger, T., Homogeneity of CdZnTe detectors, Nuclear Instruments & Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 458 (1) (2001) 100–106.Google Scholar
[5] Hermon, H., Schieber, M., Lee, E., McChesney, J., Goorsky, M., Lam, T., Meerson, E., Yao, H., Erickson, J., James, R., CZT detectors fabricated from horizontal and vertical Bridgman-grown crystals, Nuclear Instruments & Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 410 (1) (1998) 503–510.Google Scholar
[6] Sonda, P., Yeckel, A., Daoutidis, P., Derby, J.J., Development of model-based control for Bridg-man crystal growth, Journal of Crystal Growth 266 (1) (2004) 182–189.CrossRefGoogle Scholar
[7] Derby, J., Lun, L., Yeckel, A., Strategies for the coupling of global and local crystal growth models, Journal of Crystal Growth 303 (1) (2004) 114–123.Google Scholar
[8] Lun, L., Yeckel, A., Daoutidis, P., Derby, J., Decreasing lateral segregation in cadmium zinc telluride via ampoule tilting during vertical Bridgman growth, Journal of Crystal Growth 291 (2) (2006) 348–357.Google Scholar
[9] Sonda, P., Yeckel, A., Derby, J., Daoutidis, P., The feedback control of the vertical Bridgman crystal growth process by crucible rotation: two case studies, Computers and Chemical Engineering 29 (2005) 887–896.Google Scholar
[10] Sonda, P., Yeckel, A., Daoutidis, P., Derby, J., Hopf bifurcation and solution multiplicity in a model for destabilized Bridgman crystal growth, Chem. Eng. Sci. 60 (2005) 1323–1336.CrossRefGoogle Scholar
[11] Pandy, A., Yeckel, A., Reed, M., Szeles, C., Hainke, M., Mller, G., Derby, J., Analysis of the growth of cadmium zinc telluride in an electrodynamic gradient freeze furnace via a self-consistent, multi-scale numerical model, Computers and Chemical Engineering 276 (2005) 133–147.Google Scholar
[12] Nishinaga, T., Microchannel epitaxy: an overview, J. Cryst. Growth 237 (2002) 1410–1417.Google Scholar
[13] Liu, Y., Zytkiewicz, Z., Dost, S., A model for epitaxial lateral overgrowth of GaAs by liquid phase electroepitaxy, J. Cryst. Growth 265 (4) (2004) 341–350.Google Scholar
[14] Fix, G., Free Boundary Problems: Theory and Applications, Piman, Boston, 1983.Google Scholar
[15] Karma, A., Rappel, W.-J., Quantitative phase-field modeling of dendritic growth in two and three dimensions, Physical review E 57 (4) (1998) 4323–4349.Google Scholar
[16] Echebarria, B., Folch, R., Karma, A., Plapp, M., Quantitative phase-field model of alloy solidification, Physical Review E 70 (2004) 0616041–06160422.CrossRefGoogle ScholarPubMed
[17] Rector, D., Stewart, M., A semi-implicit lattice method for simulating flow, J. Comp. Phys. 229 (2010) 6732–6743.Google Scholar
[18] Benzi, R., Succi, S., Vergassola, M., The lattice Boltzmann equation: theory and applications, Phys. Rep. 222 (1992) 145.CrossRefGoogle Scholar
[19] Chen, S., Doolen, G., Lattice Boltzmann method for fluid flows, Ann. Rev. Fluid Mech. 30 (1998) 329–364.Google Scholar
[20] Yu, D., Mei, R., Luo, L., Shyy, W., Viscous flow commutations with the method of lattice Boltz-mann equation, Progr. Aerosp. Sci 39 (2003) 329–367.Google Scholar
[21] Succi, S., The Lattice Boltzmann Equation for Fluid Dynamics And Beyond, Oxford University Press, Oxford, 2001.Google Scholar
[22] Inamuro, T., A lattice kinetic scheme for incompressible viscous flows with heat transfer, Philos. T. Roy. Soc. A 360 (2002) 477–484.Google ScholarPubMed
[23] Rector, D., Stewart, M., Bao, J., Modeling of HLW tank solid resuspension and mixing process, WM2102 Conference, Phoenix, AZ, 2012.Google Scholar
[24] He, X., Luo, L., A priori derivation of the lattice Boltzmann equation, Phys. Rev. E 55 (1997) R6333–R6336.Google Scholar
[25] Lee, H., Pearlstein, A., Simulation of radial dopant segregation in vertical Bridgman growth of GaSe, a semiconductor with anisotropic solid-phase thermal conductivity, J. Crystal Growth 231 (2001) 148–170.Google Scholar
[26] Lee, H., Pearlstein, A., Simulation of vertical Bridgman growth of benzene, a material with anisotropic solid-phase thermal conductivity, J. Crystal Growth 209 (2000) 934–952.Google Scholar
[27] Karma, A., Phase-Field formulation for quantitative modeling of alloy solidification, Phys. Rev. Lett. 87 (2001) 115701–115705.Google Scholar
[28] Guo, Z., Zheng, C., Shi, B., Discrete lattice effects on the forcing term in the lattice Boltzmann method, Phys. Rev. E 65 (2002) 046308–046314.Google Scholar
[29] He, X., Luo, L., Lattice Boltzmann model for the incompressible Navier-Stokes equation, J. Stat. Phys. 88 (1997) 927–944.Google Scholar
[30] Wolf-Gladrow, D., Lattice-gas cellular automata and lattice Boltzmann models: an introduction. Lecture Notes in Mathematics, Vol. 1725, Springer, 2000.Google Scholar
[31] Aidun, C., Lu, Y., Lattice Boltzmann simualtions of solid particles suspended in fluid, J. Stat. Phys 81 (1995) 49–61.Google Scholar
[32] Ladd, A., Numerical simualtions of particulate suspensions via a discretized Boltzmann equation, J. Fluid Mech 271 (1994) 285–339.Google Scholar
[33] Ziegler, D., Boundary conditions for lattice Boltzmann simulations, J. Stat. Phys. 71 (1993) 1171–1177.Google Scholar
[34] Filippova, O., Hanel, D., Grid refinement for lattice-BGK models, J. Comp. Phys. 147 (1998) 219–228.Google Scholar
[35] Bao, J., Yuan, P., Schaefer, L., A mass conserving boundary condition for the lattice Boltzmann equation method, J. Comp. Phys. 227 (2008) 8472–8487.CrossRefGoogle Scholar
[36] Carslaw, H., Jaeger, J., Conduction of Heat in Solids, Oxford University Press, 1959.Google Scholar
[37] Filippova, O., Succi, S., Mazzocco, F., Arrighetti, C., Bella, G., Hanel, D., Multiscale lattice Boltz-mann schemes with turbulence modeling, J. Comput. Phys. 170 (2001) 812–829.Google Scholar