Atomistic simulations of deuterium irradiation on iron-based alloys in future fusion reactors
- Univ. of Helsinki (Finland). Association EURATOM-Tekes
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Iron-based alloys are now being considered as plasma-facing materials for the first wall of future fusion reactors. Therefore, the iron (Fe) and carbon (C) erosion will play a key role in predicting the life-time and viability of reactors with steel walls. In this work, the surface erosion and morphology changes due to deuterium (D) irradiation in pure Fe, Fe with 1% C impurity and the cementite, are studied using molecular dynamics (MD) simulations, varying surface temperature and impact energy. The sputtering yields for both Fe and C were found to increase with incoming energy. In iron carbide, C sputtering was preferential to Fe and the deuterium was mainly trapped as D2 in bubbles, while mostly atomic D was present in Fe and Fe–1%C. The sputtering yields obtained from MD were compared to SDTrimSP yields. At lower impact energies, the sputtering mechanism was of both physical and chemical origin, while at higher energies (>100 eV) the physical sputtering dominated.
- Research Organization:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- Grant/Contract Number:
- AC05-00OR22725
- OSTI ID:
- 1346656
- Journal Information:
- Nuclear Materials and Energy, Vol. 9; ISSN 2352-1791
- Publisher:
- ElsevierCopyright Statement
- Country of Publication:
- United States
- Language:
- English
Molecular dynamics simulation of beryllium oxide irradiated by deuterium ions: sputtering and reflection
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journal | March 2019 |
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