Tritium trapping and migration mechanisms in Li2O: a first-principles study.
Phys Chem Chem Phys
; 21(10): 5474-5480, 2019 Mar 06.
Article
em En
| MEDLINE
| ID: mdl-30783645
ABSTRACT
The tritium recovery behaviors and related mechanisms in lithium-based breeding materials are the major concerns in fusion reactors. In the present work, the energetics of intrinsic point defects and H-related defects in Li2O has been investigated by the first-principles method. The results show that the formation energies, charge states and relative stability of the intrinsic point defects and H-related defects in Li2O under working conditions vary with the energy level. Based on the defect properties and migration process, a model of the tritium trapping and migration mechanisms in Li2O is proposed (1) the bred tritium is first trapped by oxygen vacancies; (2) subsequently the tritium detrapped from oxygen vacancies is retrapped by lithium vacancies, forming T substituents; and (3) the T substituents hop along the Li lattice.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2019
Tipo de documento:
Article