Published September 2018
| Version v1
Journal article
First principle study of tritium trapping at oxygen vacancies in Li4SiO4
Creators
- 1. Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China)
- 2. Department of Physics and Key Laboratory for Radiation Physics & Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China)
- 3. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610064 (China)
Description
Highlights: • The neutral and 2 + charged oxygen vacancies are diamagnetic and most stable. • The 1 + charged oxygen vacancies are paramagnetic and less stable. • Tritium is trapped in the O vacancy if the defect complex is 1+/2+/3 + charged. • Trapped tritium forms a T-SiO3 unit. • Tritium tends to escape the vacancy if the complex is neutral or 1- charged.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jnucmat.2018.05.055Additional details
Identifiers
- DOI
- 10.1016/j.jnucmat.2018.05.055;
- PII
- S002231151731365X;
Publishing Information
- Journal Title
- Journal of Nuclear Materials
- Journal Volume
- 508
- Journal Page Range
- p. 257-264
- ISSN
- 0022-3115
- CODEN
- JNUMAM
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 49103159
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- LITHIUM SILICATES; MOLECULAR DYNAMICS METHOD; OXYGEN; TRAPPING; TRITIUM; VACANCIES
- Descriptors DEC
- ALKALI METAL COMPOUNDS; BETA DECAY RADIOISOTOPES; BETA-MINUS DECAY RADIOISOTOPES; CALCULATION METHODS; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; ELEMENTS; HYDROGEN ISOTOPES; ISOTOPES; LIGHT NUCLEI; LITHIUM COMPOUNDS; NONMETALS; NUCLEI; ODD-EVEN NUCLEI; OXYGEN COMPOUNDS; POINT DEFECTS; RADIOISOTOPES; SILICATES; SILICON COMPOUNDS; YEARS LIVING RADIOISOTOPES
Optional Information
- Copyright
- Copyright (c) 2017 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.