Deuterium uptake and sputtering of simultaneous lithiated, boronized, and oxidized carbon surfaces irradiated by low-energy deuterium
Abstract
We study the effects of deuterium irradiation on D-uptake by simultaneously boronized, lithiated, oxidized, and deuterated carbon surfaces. We present analysis of the bonding chemistry of D for various concentrations of boron, lithium, oxygen, and deuterium on carbon surfaces using molecular dynamics with reactive force field potentials, which are here adapted to include the interaction of boron and lithium. We calculate D retention and sputtering yields of each constituent of the Li-C-B-O mixture and discuss the role of oxygen in these processes. The extent of the qualitative agreement between new experimental data for B-C-O-D obtained in this paper and computational data is provided. As in the case of the Li-C-O system, comparative studies where experimental and computational data complement each other (in this case on the B-Li-C-O system) provide deeper insights into the mechanisms behind the role that O plays in the retention of D, a relevant issue in fusion machines.
- Authors:
-
[1];
- Stony Brook Univ., NY (United States)
- Univ. of Illinois, Urbana-Champaign, IL (United States)
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Purdue Univ., West Lafayette, IN (United States)
- Pennsylvania State Univ., University Park, PA (United States)
- Publication Date:
- Research Org.:
- Univ. of Illinois at Urbana-Champaign, IL (United States); State Univ. of New York (SUNY), Albany, NY (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1540190
- Alternate Identifier(s):
- OSTI ID: 1437522
- Grant/Contract Number:
- SC0010717; SC0013752; SC0014264
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 123; Journal Issue: 19; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Physics
Citation Formats
Domínguez-Gutiérrez, F. J., Krstić, P. S., Allain, J. P., Bedoya, F., Islam, M. M., Lotfi, R., and van Duin, A. C. T. Deuterium uptake and sputtering of simultaneous lithiated, boronized, and oxidized carbon surfaces irradiated by low-energy deuterium. United States: N. p., 2018.
Web. doi:10.1063/1.5026415.
Domínguez-Gutiérrez, F. J., Krstić, P. S., Allain, J. P., Bedoya, F., Islam, M. M., Lotfi, R., & van Duin, A. C. T. Deuterium uptake and sputtering of simultaneous lithiated, boronized, and oxidized carbon surfaces irradiated by low-energy deuterium. United States. https://doi.org/10.1063/1.5026415
Domínguez-Gutiérrez, F. J., Krstić, P. S., Allain, J. P., Bedoya, F., Islam, M. M., Lotfi, R., and van Duin, A. C. T. Thu .
"Deuterium uptake and sputtering of simultaneous lithiated, boronized, and oxidized carbon surfaces irradiated by low-energy deuterium". United States. https://doi.org/10.1063/1.5026415. https://www.osti.gov/servlets/purl/1540190.
@article{osti_1540190,
title = {Deuterium uptake and sputtering of simultaneous lithiated, boronized, and oxidized carbon surfaces irradiated by low-energy deuterium},
author = {Domínguez-Gutiérrez, F. J. and Krstić, P. S. and Allain, J. P. and Bedoya, F. and Islam, M. M. and Lotfi, R. and van Duin, A. C. T.},
abstractNote = {We study the effects of deuterium irradiation on D-uptake by simultaneously boronized, lithiated, oxidized, and deuterated carbon surfaces. We present analysis of the bonding chemistry of D for various concentrations of boron, lithium, oxygen, and deuterium on carbon surfaces using molecular dynamics with reactive force field potentials, which are here adapted to include the interaction of boron and lithium. We calculate D retention and sputtering yields of each constituent of the Li-C-B-O mixture and discuss the role of oxygen in these processes. The extent of the qualitative agreement between new experimental data for B-C-O-D obtained in this paper and computational data is provided. As in the case of the Li-C-O system, comparative studies where experimental and computational data complement each other (in this case on the B-Li-C-O system) provide deeper insights into the mechanisms behind the role that O plays in the retention of D, a relevant issue in fusion machines.},
doi = {10.1063/1.5026415},
journal = {Journal of Applied Physics},
number = 19,
volume = 123,
place = {United States},
year = {Thu May 17 00:00:00 EDT 2018},
month = {Thu May 17 00:00:00 EDT 2018}
}
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