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Title: Hydrogen retention in lithium and lithium oxide films

Abstract

Pure lithium (Li) surfaces are difficult to maintain in fusion devices due to rapid oxide formation, therefore, parameterizing and understanding the mechanisms of hydrogen (H, D) retention in lithium oxide (Li2O) in addition to pure Li is crucial for Li plasma-facing material applications. To compare H retention in Li and Li2O films, measurements were made as a function of surface temperature (90–520 K) under ultrahigh vacuum (UHV) conditions using temperature programmed desorption (TPD). In both cases, the total retention dropped with surface temperature, from 95% at 90 K to 35% at 520 K Li2O films retained H in similar amounts as pure Li. Finally, Molecular Dynamics (MD) modeling was used to elucidate the mechanisms of H retention, and results were consistent with experiments in terms of both retention fraction and the drop of retention with temperature.

Authors:
 [1];  [1];  [2];  [3];  [4];  [2];  [3];  [1]
  1. Princeton Univ., NJ (United States). Dept. of Chemical and Biological Engineering
  2. Stony Brook Univ., NY (United States). Inst. for Advanced Computational Science
  3. Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)
  4. Princeton Univ., NJ (United States). Dept. of Chemistry
Publication Date:
Research Org.:
Princeton Univ., NJ (United States); Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Fusion Energy Sciences (FES) (SC-24); National Council of Science and Technology, Mexico
OSTI Identifier:
1571881
Alternate Identifier(s):
OSTI ID: 1432058; OSTI ID: 1548741
Report Number(s):
DOE-PU-0012890-3
Journal ID: ISSN 0022-3115
Grant/Contract Number:  
SC0012890; SC0013752
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Nuclear Materials
Additional Journal Information:
Journal Volume: 502; Journal Issue: C; Journal ID: ISSN 0022-3115
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
70 PLASMA PHYSICS AND FUSION TECHNOLOGY; Hydrogen retention; Lithium; Lithium oxide; Nickel single crystal; Molecular dynamics

Citation Formats

Buzi, L., Yang, Y., Domínguez-Gutiérrez, F. J., Nelson, A. O., Hofman, M., Krstić, P. S., Kaita, R., and Koel, B. E. Hydrogen retention in lithium and lithium oxide films. United States: N. p., 2018. Web. doi:10.1016/j.jnucmat.2018.02.010.
Buzi, L., Yang, Y., Domínguez-Gutiérrez, F. J., Nelson, A. O., Hofman, M., Krstić, P. S., Kaita, R., & Koel, B. E. Hydrogen retention in lithium and lithium oxide films. United States. doi:10.1016/j.jnucmat.2018.02.010.
Buzi, L., Yang, Y., Domínguez-Gutiérrez, F. J., Nelson, A. O., Hofman, M., Krstić, P. S., Kaita, R., and Koel, B. E. Thu . "Hydrogen retention in lithium and lithium oxide films". United States. doi:10.1016/j.jnucmat.2018.02.010. https://www.osti.gov/servlets/purl/1571881.
@article{osti_1571881,
title = {Hydrogen retention in lithium and lithium oxide films},
author = {Buzi, L. and Yang, Y. and Domínguez-Gutiérrez, F. J. and Nelson, A. O. and Hofman, M. and Krstić, P. S. and Kaita, R. and Koel, B. E.},
abstractNote = {Pure lithium (Li) surfaces are difficult to maintain in fusion devices due to rapid oxide formation, therefore, parameterizing and understanding the mechanisms of hydrogen (H, D) retention in lithium oxide (Li2O) in addition to pure Li is crucial for Li plasma-facing material applications. To compare H retention in Li and Li2O films, measurements were made as a function of surface temperature (90–520 K) under ultrahigh vacuum (UHV) conditions using temperature programmed desorption (TPD). In both cases, the total retention dropped with surface temperature, from 95% at 90 K to 35% at 520 K Li2O films retained H in similar amounts as pure Li. Finally, Molecular Dynamics (MD) modeling was used to elucidate the mechanisms of H retention, and results were consistent with experiments in terms of both retention fraction and the drop of retention with temperature.},
doi = {10.1016/j.jnucmat.2018.02.010},
journal = {Journal of Nuclear Materials},
number = C,
volume = 502,
place = {United States},
year = {2018},
month = {2}
}

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Figures / Tables:

Figure 1 Figure 1: a) Li system (2000 lithium atoms), b) Li2O system: 33 % of O (660 atoms) and 67 % of Li (1340 atoms). Green and red symbols represent Li and O, respectively.

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