Title: Analysis of chemical stress and the propensity for cracking during the vertical Bridgman growth of BaBrCl:Eu

Journal Article · · Journal of Crystal Growth
 [1];  [2];  [3];  [4];  [4];  [4];  [5];  [6];  [1]
  1. Univ. of Minnesota, Minneapolis, MN (United States)
  2. Wuhan Univ. (China). Inst. of Technological Sciences
  3. Univ. of California, Berkeley, CA (United States). Space Sciences Lab.
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Wake Forest Univ., Winston-Salem, NC (United States)
  6. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Computational models are employed to analyze residual chemical stresses arising from compositional variations in europium-doped BaBrCl crystals grown by the vertical Bridgman method. We find that significant chemical stress is produced by radial segregation of Eu in this system. In particular, the distribution of normal stresses is set by the radial concentration gradient, whose changing sign produces surface states in tension or compression. Additionally, crack opening from surface flaws will be promoted or suppressed by tensile or compressive surface stresses, respectively. Thus, crystal growth processing strategies that change the radial dopant concentration gradients are posited to affect the propensity for cracking. For this system, surface stresses are changed from states of tension to compression when the growth rate is increased, thus improving the chances to avoid cracking—a strategy that defies classical wisdom that dictates slower growth to improve outcomes. Similar strategies affecting segregation may prove beneficial to tailor chemical stress fields to reduce cracking in other crystal growth systems.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC)
Grant/Contract Number:
AC02-05CH11231; NA0002514
OSTI ID:
1782193
Journal Information:
Journal of Crystal Growth, Journal Name: Journal of Crystal Growth Vol. 546; ISSN 0022-0248
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (48)

Cracking in yttrium orthoaluminate single crystals journal June 1973
The deformation and fracture behavior of the scintillating crystal cadmium tungstate journal April 2008
The redistribution of solute atoms during the solidification of metals journal July 1953
Morphological stability journal January 1968
Growth of uncracked barium-sodium niobate crystals journal January 1970
The cracking of Czochralski-grown crystals journal December 1977
Czochralski growth of Gd3(Ga1-xAlx)5O12 single crystals journal January 1986
The isotropic assumption during the Czochralski growth of single semiconductors crystals journal September 1987
A new model for the calculation of dislocation formation in semiconductor melt growth by taking into account the dynamics of plastic deformation journal September 1989
Elastic constant matrix required for thermal stress analysis of bulk single crystals during Czochralski growth journal November 1990
Growth and applications of Gd2SiO5: Ce scintillators journal February 1991
On the prediction of dislocation formation in semiconductor crystals grown from the melt: analysis of the Haasen model for plastic deformation dynamics journal January 1991
Quantitative assessment for cracking in oxide bulk single crystals during Czochralski growth: development of a computer program for thermal stress analysis journal April 1996
Preparation and characterization of the system BaBrxCl2−x: The structure of BaBrCl journal July 1983
Melt and solution growth of bulk single crystals of quaternary III–V alloys journal January 1979
Development of a thermal stress analysis system for anisotropic single crystal growth journal March 2002
Suppression of cracks in InxGa1−xSb crystals through forced convection in the melt journal November 1998
Electrochemical study of the Eu(III)/Eu(II) system in molten fluoride media journal November 2009
A study of fracture and defects in single crystal YAG journal July 2004
Hot zone design for controlled growth to mitigate cracking in laser crystal growth journal March 2011
Crystal growth and characterization of alkali-earth halide scintillators journal August 2012
Three-dimensional analysis of dislocation multiplication in single-crystal silicon under accurate control of cooling history of temperature journal June 2014
Applicability of the three-dimensional Alexander-Haasen model for the analysis of dislocation distributions in single-crystal silicon journal February 2015
Crystal growth and spectroscopic performance of large crystalline boules of CsCaI3:Eu scintillator journal October 2015
Czochralski growth of the mixed halides BaBrCl and BaBrCl:Eu journal February 2016
An axial temperature profile curvature criterion for the engineering of convex crystal growth interfaces in Bridgman systems journal June 2017
Three-dimensional analysis of dislocation multiplication during thermal process of grown silicon with different orientations journal September 2017
Exploring growth conditions and Eu2+ concentration effects for KSr2I5:Eu scintillator crystals II: Ø 25 mm crystals journal February 2018
Computational modeling and neutron imaging to understand interface shape and solute segregation during the vertical gradient freeze growth of BaBrCl:Eu journal April 2020
Structure and scintillation of Eu2+-activated BaBrCl and solid solutions in the BaCl2–BaBr2 system journal June 2013
Atomistic understanding of the network dilation anomaly in ion-exchanged glass journal January 2012
Fluid dynamics in crystal growth: The good, the bad, and the ugly journal June 2016
Recommended values for the thermal conductivity of molten salts between the melting and boiling points journal July 2014
Anisotropic Thermal Stress Simulation with Complex Crystal–Melt Interface Evolution for Seeded Growth of Monocrystalline Silicon journal October 2012
Alexander–Haasen Model of Basal Plane Dislocations in Single-Crystal Sapphire journal July 2014
Stability of a Planar Interface During Solidification of a Dilute Binary Alloy journal February 1964
Europium-doped barium halide scintillators for x-ray and γ-ray detections journal February 2007
Molten salts: Volume 4, part 2, chlorides and mixtures—electrical conductance, density, viscosity, and surface tension data journal October 1975
DFT calculations of structural, electronic, optical and elastic properties of scintillator materials BaCl 2 and BaBr 2 journal February 2015
The Phenomena of Rupture and Flow in Solids journal January 1921
A neutron diffraction and electron microscopy examination of barium bromide–barium chloride (2/1) journal July 1986
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides journal September 1976
Effective ionic radii in oxides and fluorides journal May 1969
In situ diagnostics of the crystal-growth process through neutron imaging: application to scintillators journal April 2016
Crystal structure evolution of BaBrCl and BaBrCl:5%Eu up to 1073 K by neutron diffraction journal March 2018
Strengthening by Ion Exchange journal May 1964
Anomalous Stress Profiles in Ion-Exchanged Glass journal July 1978
Chemical Strengthening of Glass: Lessons Learned and Yet To Be Learned: Chemical Strengthening of Glass journal March 2010