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

Chang Zhang; Bing Gao; Anton S. Tremsin; Didier Perrodin; Tetiana Shalapska; Edith D. Bourret; Drew R. Onken; Sven C. Vogel; Jeffrey J. Derby

doi:10.1016/j.jcrysgro.2020.125794

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

Chang Zhang, Bing Gao, Anton S. Tremsin, Didier Perrodin, Tetiana Shalapska, Edith D. Bourret, Drew R. Onken, Sven C. Vogel, Jeffrey J. Derby

Chemical Engineering and Materials Science

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

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. 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.

Original language	English (US)
Article number	125794
Journal	Journal of Crystal Growth
Volume	546
DOIs	https://doi.org/10.1016/j.jcrysgro.2020.125794
State	Published - Sep 15 2020

Bibliographical note

Funding Information:
This work was supported in part by the funding of project LB15-ML-GammaDetMater-PD3Jf by the U.S. Department of Energy/NNSA/DNN R&D, under Awards DE-AC02-05CH11231 (managed by Lawrence Berkeley National Laboratory) and DE-NA0002514; no official endorsement should be inferred. We would like to acknowledge A. Yeckel for technical assistance with the Cats2D code and D. Poerschke for useful discussion on the effects of the Eu ionic radius to produce local strain.

Funding Information:
This work was supported in part by the funding of project LB15-ML-GammaDetMater-PD3Jf by the U.S. Department of Energy/NNSA/DNN R&D , under Awards DE-AC02-05CH11231 (managed by Lawrence Berkeley National Laboratory ) and DE-NA0002514 ; no official endorsement should be inferred. We would like to acknowledge A. Yeckel for technical assistance with the Cats2D code and D. Poerschke for useful discussion on the effects of the Eu ionic radius to produce local strain.

Publisher Copyright:
© 2020 Elsevier B.V.

Keywords

A1. Chemical stress
A1. Computer simulation
A1. Convection
A1. Segregation
A2. Bridgman technique
B2. Scintillator materials

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10.1016/j.jcrysgro.2020.125794

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@article{b6777431f0aa4bc48692f1f178d70dd7,

title = "Analysis of chemical stress and the propensity for cracking during the vertical Bridgman growth of BaBrCl:Eu",

abstract = "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. 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.",

keywords = "A1. Chemical stress, A1. Computer simulation, A1. Convection, A1. Segregation, A2. Bridgman technique, B2. Scintillator materials",

author = "Chang Zhang and Bing Gao and Tremsin, {Anton S.} and Didier Perrodin and Tetiana Shalapska and Bourret, {Edith D.} and Onken, {Drew R.} and Vogel, {Sven C.} and Derby, {Jeffrey J.}",

note = "Funding Information: This work was supported in part by the funding of project LB15-ML-GammaDetMater-PD3Jf by the U.S. Department of Energy/NNSA/DNN R&D, under Awards DE-AC02-05CH11231 (managed by Lawrence Berkeley National Laboratory) and DE-NA0002514; no official endorsement should be inferred. We would like to acknowledge A. Yeckel for technical assistance with the Cats2D code and D. Poerschke for useful discussion on the effects of the Eu ionic radius to produce local strain. Funding Information: This work was supported in part by the funding of project LB15-ML-GammaDetMater-PD3Jf by the U.S. Department of Energy/NNSA/DNN R&D , under Awards DE-AC02-05CH11231 (managed by Lawrence Berkeley National Laboratory ) and DE-NA0002514 ; no official endorsement should be inferred. We would like to acknowledge A. Yeckel for technical assistance with the Cats2D code and D. Poerschke for useful discussion on the effects of the Eu ionic radius to produce local strain. Publisher Copyright: {\textcopyright} 2020 Elsevier B.V.",

year = "2020",

month = sep,

day = "15",

doi = "10.1016/j.jcrysgro.2020.125794",

language = "English (US)",

volume = "546",

journal = "Journal of Crystal Growth",

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publisher = "Elsevier",

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TY - JOUR

T1 - Analysis of chemical stress and the propensity for cracking during the vertical Bridgman growth of BaBrCl:Eu

AU - Zhang, Chang

AU - Gao, Bing

AU - Tremsin, Anton S.

AU - Perrodin, Didier

AU - Shalapska, Tetiana

AU - Bourret, Edith D.

AU - Onken, Drew R.

AU - Vogel, Sven C.

AU - Derby, Jeffrey J.

N1 - Funding Information: This work was supported in part by the funding of project LB15-ML-GammaDetMater-PD3Jf by the U.S. Department of Energy/NNSA/DNN R&D, under Awards DE-AC02-05CH11231 (managed by Lawrence Berkeley National Laboratory) and DE-NA0002514; no official endorsement should be inferred. We would like to acknowledge A. Yeckel for technical assistance with the Cats2D code and D. Poerschke for useful discussion on the effects of the Eu ionic radius to produce local strain. Funding Information: This work was supported in part by the funding of project LB15-ML-GammaDetMater-PD3Jf by the U.S. Department of Energy/NNSA/DNN R&D , under Awards DE-AC02-05CH11231 (managed by Lawrence Berkeley National Laboratory ) and DE-NA0002514 ; no official endorsement should be inferred. We would like to acknowledge A. Yeckel for technical assistance with the Cats2D code and D. Poerschke for useful discussion on the effects of the Eu ionic radius to produce local strain. Publisher Copyright: © 2020 Elsevier B.V.

PY - 2020/9/15

Y1 - 2020/9/15

N2 - 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. 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.

AB - 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. 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.

KW - A1. Chemical stress

KW - A1. Computer simulation

KW - A1. Convection

KW - A1. Segregation

KW - A2. Bridgman technique

KW - B2. Scintillator materials

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DO - 10.1016/j.jcrysgro.2020.125794

M3 - Article

AN - SCOPUS:85087664379

SN - 0022-0248

VL - 546

JO - Journal of Crystal Growth

JF - Journal of Crystal Growth

M1 - 125794

ER -

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

Abstract

Bibliographical note

Keywords

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