Trapping and recombination of tritium in lithium vacancy of the γ-LiAlO2 (100) surface: A first-principles study

Jia, Ting; Senor, David J.; Duan, Yuhua

doi:10.1016/j.apsadv.2021.100114

Title: Trapping and recombination of tritium in lithium vacancy of the γ-LiAlO2 (100) surface: A first-principles study

Journal Article · 31 August 2021 · Applied Surface Science Advances

DOI: https://doi.org/10.1016/j.apsadv.2021.100114 · OSTI ID:1788115

Jia, Ting; Senor, David J.; Duan, Yuhua

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Sponsoring Organization:: USDOE

OSTI ID:: 1788115

Journal Information:: Applied Surface Science Advances, Journal Name: Applied Surface Science Advances Journal Issue: C Vol. 5; ISSN 2666-5239

Publisher:: ElsevierCopyright Statement

Country of Publication:: Netherlands

Language:: English

References (26)

Diffusion-controlled tritium release from neutron-irradiated γ-LiAlO2 Okuno, Kenji; Kudo, Hiroshi Journal of Nuclear Materials, Vol. 138, Issue 2-3 https://doi.org/10.1016/0022-3115(86)90007-3	journal	April 1986
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Effects of radiation on lithium aluminate samples properties Botter, F.; Lefevre, F.; Rasneur, B. Journal of Nuclear Materials, Vol. 141-143 https://doi.org/10.1016/S0022-3115(86)80066-6	journal	November 1986
Tritium inventory in a LiAlO2 blanket Nishikawa, Masabumi; Baba, Atsushi; Kawamura, Yoshinori Journal of Nuclear Materials, Vol. 246, Issue 1 https://doi.org/10.1016/S0022-3115(97)00091-3	journal	July 1997
Tritium behavior in lithium ceramics Johnson, C. E. Journal of Nuclear Materials, Vol. 270, Issue 1-2 https://doi.org/10.1016/S0022-3115(98)00905-2	journal	April 1999
Current experimental activities for solid breeder development Johnson, Carl E.; Hollenberg, Glenn W.; Roux, Nicole Fusion Engineering and Design, Vol. 8 https://doi.org/10.1016/S0920-3796(89)80099-7	journal	January 1989
First-principles study of the tritium reaction and diffusion on the γ-LiAlO2 (1 0 0) surface with carbon impurity Jia, Ting; Senor, David J.; Duan, Yuhua Computational Materials Science, Vol. 181 https://doi.org/10.1016/j.commatsci.2020.109748	journal	August 2020
Review of blanket designs for advanced fusion reactors Ihli, T.; Basu, T. K.; Giancarli, L. M. Fusion Engineering and Design, Vol. 83, Issue 7-9 https://doi.org/10.1016/j.fusengdes.2008.07.039	journal	December 2008
Release behavior of bred tritium from LiAlO2 Nishikawa, M.; Kinjyo, T.; Ishizaka, T. Journal of Nuclear Materials, Vol. 335, Issue 1 https://doi.org/10.1016/j.jnucmat.2004.07.032	journal	October 2004
Irradiation effects and hydrogen behavior in H2+ and He+ implanted γ-LiAlO2 single crystals Jiang, Weilin; Zhang, Jiandong; Kovarik, Libor Journal of Nuclear Materials, Vol. 484 https://doi.org/10.1016/j.jnucmat.2016.03.014	journal	February 2017
Nanostructural evolution and behavior of H and Li in ion-implanted γ-LiAlO2 Jiang, Weilin; Zhang, Jiandong; Edwards, Danny J. Journal of Nuclear Materials, Vol. 494 https://doi.org/10.1016/j.jnucmat.2017.07.048	journal	October 2017
First-principles study of the surface properties of γ-LiAlO2: Stability and tritium adsorption Jia, Ting; Zeng, Zhi; Paudel, Hari Journal of Nuclear Materials, Vol. 522 https://doi.org/10.1016/j.jnucmat.2019.05.007	journal	August 2019
Theoretical study of the electronic, thermodynamic, and thermo-conductive properties of γ-LiAlO2 with 6Li isotope substitutions for tritium production Duan, Yuhua; Sorescu, Dan C.; Jiang, Weilin Journal of Nuclear Materials, Vol. 530 https://doi.org/10.1016/j.jnucmat.2019.151963	journal	March 2020
Tritium species diffusion on and desorption from γ-LiAlO2 (100) surface: A first-principles investigation Jia, Ting; Senor, David J.; Duan, Yuhua Journal of Nuclear Materials, Vol. 540 https://doi.org/10.1016/j.jnucmat.2020.152394	journal	November 2020
Core configuration of a gas-cooled reactor as a tritium production device for fusion reactor Nakaya, H.; Matsuura, H.; Nakao, Y. Nuclear Engineering and Design, Vol. 271 https://doi.org/10.1016/j.nucengdes.2013.12.023	journal	May 2014
Tritium Diffusion Pathways in γ-LiAlO ₂ Pellets Used in TPBAR: A First-Principles Density Functional Theory Investigation Paudel, Hari P.; Lee, Yueh-Lin; Senor, David J. The Journal of Physical Chemistry C, Vol. 122, Issue 18 https://doi.org/10.1021/acs.jpcc.8b01108	journal	April 2018
A climbing image nudged elastic band method for finding saddle points and minimum energy paths Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904 https://doi.org/10.1063/1.1329672	journal	December 2000
Rationale for mixing exact exchange with density functional approximations Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985 https://doi.org/10.1063/1.472933	journal	December 1996
TEACUP: A Tritium Management and Supplemental Core Follow Program Lyons, Jennifer; Love, Edward; Burns, Kim Fusion Science and Technology, Vol. 71, Issue 4 https://doi.org/10.1080/15361055.2017.1290944	journal	March 2017
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Solid Tritium Breeder Materials-Li ₂ O and LiAlO ₂ : A Data Base Review Liu, Yung Y.; Billone, Michael C.; Fischer, A. K. Fusion Technology, Vol. 8, Issue 2P1 https://doi.org/10.13182/FST85-A24573	journal	September 1985
Tritium Breeding Material :γ LiAlO ₂ Rasneur, B. Fusion Technology, Vol. 8, Issue 1P2B https://doi.org/10.13182/FST85-A40040	journal	July 1985
In-Situ Tritium Release Experiment from Solid Breeder γ-LiAlO ₂ in SWINPC Cao, Xiaohua; Shen, Wende; Wan, Jingping Fusion Technology, Vol. 28, Issue 3P1 https://doi.org/10.13182/FST95-A30460	journal	October 1995

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