First-principles study on thermodynamic stability of UO2 with He gas incorporation via alpha-decay

Choa Kwon; Kwanpyung Lee; Byungchan Han

doi:10.9713/kcer.2019.57.3.368

First-principles study on thermodynamic stability of UO₂ with He gas incorporation via alpha-decay

Choa Kwon, Kwanpyung Lee, Byungchan Han

Department of Chemical and Biomolecular Engineering

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

1 Citation (Scopus)

Abstract

− Using first principles calculations we investigated the thermomechanical stability of spent nuclear fuels (SNF), especially how mechanical properties of UO₂, such as, bulk, shear and Young’s moduli and Poisson’s ratio vary through alpha-decay of U into Th with generation of He gas. Our results indicate that substitution of U by Th through alpha decay (U_1-xTh_xO₂) does not significantly affect the stability of the grain in a fuel matrix. In addition, we studied the transport properties of He in and boUndaries of the U_1-xTh_xO₂ grain. Helium preferentially resides at the grain boUndaries through diffusion. Our study can contribute to substantial reduction of environmentally risk and enhancement of our sustainability by safe control of radioactive materials.

Original language	English
Pages (from-to)	368-371
Number of pages	4
Journal	Korean Chemical Engineering Research
Volume	57
Issue number	3
DOIs	https://doi.org/10.9713/kcer.2019.57.3.368
Publication status	Published - 2019

Bibliographical note

Funding Information:
The Nuclear R&D Program funded by the Ministry of Science and ICT (2016M2B2B1945254) supported this research. This work was also supported by the Global Frontier Pro-gram through the Global Frontier Hybrid Interface Materials (GFHIM) (2013M3A6B1078882) funded by the Mistry of Science and ICT.

Funding Information:
The Nuclear R&D Program fUnded by the Ministry of Science and ICT (2016M2B2B1945254) supported this research. This work was also supported by the Global Frontier Pro-gram through the Global Frontier Hybrid Interface Materials (GFHIM) (2013M3A6B1078882) fUnded by the Mistry of Science and ICT.

Publisher Copyright:
© 2019 Korean Institute of Chemical Engineers. All rights reserved.

All Science Journal Classification (ASJC) codes

Chemical Engineering(all)

Access to Document

10.9713/kcer.2019.57.3.368

Cite this

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title = "First-principles study on thermodynamic stability of UO2 with He gas incorporation via alpha-decay",

abstract = "− Using first principles calculations we investigated the thermomechanical stability of spent nuclear fuels (SNF), especially how mechanical properties of UO2, such as, bulk, shear and Young{\textquoteright}s moduli and Poisson{\textquoteright}s ratio vary through alpha-decay of U into Th with generation of He gas. Our results indicate that substitution of U by Th through alpha decay (U1-xThxO2) does not significantly affect the stability of the grain in a fuel matrix. In addition, we studied the transport properties of He in and boUndaries of the U1-xThxO2 grain. Helium preferentially resides at the grain boUndaries through diffusion. Our study can contribute to substantial reduction of environmentally risk and enhancement of our sustainability by safe control of radioactive materials.",

author = "Choa Kwon and Kwanpyung Lee and Byungchan Han",

note = "Funding Information: The Nuclear R&D Program funded by the Ministry of Science and ICT (2016M2B2B1945254) supported this research. This work was also supported by the Global Frontier Pro-gram through the Global Frontier Hybrid Interface Materials (GFHIM) (2013M3A6B1078882) funded by the Mistry of Science and ICT. Funding Information: The Nuclear R&D Program fUnded by the Ministry of Science and ICT (2016M2B2B1945254) supported this research. This work was also supported by the Global Frontier Pro-gram through the Global Frontier Hybrid Interface Materials (GFHIM) (2013M3A6B1078882) fUnded by the Mistry of Science and ICT. Publisher Copyright: {\textcopyright} 2019 Korean Institute of Chemical Engineers. All rights reserved.",

year = "2019",

doi = "10.9713/kcer.2019.57.3.368",

language = "English",

volume = "57",

pages = "368--371",

journal = "Korean Chemical Engineering Research",

issn = "0304-128X",

publisher = "The Korean Institute of Chemical Engineers",

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AU - Han, Byungchan

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PY - 2019

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N2 - − Using first principles calculations we investigated the thermomechanical stability of spent nuclear fuels (SNF), especially how mechanical properties of UO2, such as, bulk, shear and Young’s moduli and Poisson’s ratio vary through alpha-decay of U into Th with generation of He gas. Our results indicate that substitution of U by Th through alpha decay (U1-xThxO2) does not significantly affect the stability of the grain in a fuel matrix. In addition, we studied the transport properties of He in and boUndaries of the U1-xThxO2 grain. Helium preferentially resides at the grain boUndaries through diffusion. Our study can contribute to substantial reduction of environmentally risk and enhancement of our sustainability by safe control of radioactive materials.

AB - − Using first principles calculations we investigated the thermomechanical stability of spent nuclear fuels (SNF), especially how mechanical properties of UO2, such as, bulk, shear and Young’s moduli and Poisson’s ratio vary through alpha-decay of U into Th with generation of He gas. Our results indicate that substitution of U by Th through alpha decay (U1-xThxO2) does not significantly affect the stability of the grain in a fuel matrix. In addition, we studied the transport properties of He in and boUndaries of the U1-xThxO2 grain. Helium preferentially resides at the grain boUndaries through diffusion. Our study can contribute to substantial reduction of environmentally risk and enhancement of our sustainability by safe control of radioactive materials.

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