Computational modeling and neutron imaging to understand interface shape and solute segregation during the vertical gradient freeze growth of BaBrCl:Eu

Jeffrey J. Derby, Chang Zhang, Jan Seebeck, Jeffrey H. Peterson, Anton S. Tremsin, Didier Perrodin, Gregory A. Bizarri, Edith D. Bourret, Adrian S. Losko, Sven C. Vogel

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


We apply continuum models to analyze phase change, heat transfer, fluid flow, solute transport, and segregation in order to understand prior neutron imaging observations of the vertical gradient freeze growth of Eu-doped BaBrCl. The models provide a rigorous framework in which to understand the mechanisms that are responsible for the complicated evolution of interface shape and dopant distribution in the growth experiment. We explain how a transition in the solid/liquid interface shape from concave to convex is driven by changes in radial heat transfer caused by furnace design. We also provide a mechanistic explanation of how dynamic growth conditions and changes of the flow structure in the melt result in complicated segregation patterns in this system. A growth pause caused by controller lock-up is shown to result in a band of solute depletion in accordance with classical theory. However, changing flow patterns during growth result in a non-monotonic axial distribution of solute that cannot be explained by simple application of classical segregation models. We assert that the approach presented here, namely the use of rigorous models in conjunction advanced diagnostics, such as neutron imaging, provides an exciting path forward for process optimization and control, accelerating the incremental advances that have, in the past, typically relied on empiricism, experience, and intuition.

Original languageEnglish (US)
Article number125572
JournalJournal of Crystal Growth
StatePublished - Apr 15 2020

Bibliographical note

Funding Information:
This work was supported in part by the U.S. Department of Energy/NNSA/DNN R&D , under Awards DE-NA0002514 and DE-AC02-05CH11231 (managed by Lawrence Berkeley National Laboratory); no official endorsement should be inferred.

Publisher Copyright:
© 2020 Elsevier B.V.


  • A1. Computer simulation
  • A1. Heat transfer
  • A1. Neutron imaging
  • A1. Segregation
  • A2. Bridgman technique
  • B2. Scintillator materials


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