The evolution of radiation-induced point defects near symmetrical tilt Σ5 (310) <001> grain boundary in pure δ-plutonium: A molecular dynamics study
- 1. Xi'an Jiaotong University, Xi'an (China)
- 2. China Academy of Engineering Physics, Jiangyou (China)
Description
The effects of the symmetrical tilt Σ5 (310) 〈001〉 grain boundary (GB) on the evolution of radiation-induced point defects in pure δ-plutonium (Pu) were studied by Molecular dynamics (MD) simulations. The evolution of radiation-induced point defects was obtained when primary knock-on atom (PKA) was respectively set as -15 Å and 15 Å far from the GB and the number of residual defects was obtained as the distance from PKA to GB was changed. According to the results, compared with vacancies, interstitial atoms were more easily absorbed by GB. In addition, the formation energy of point defects was also calculated. The results showed that there was almost no difference for the formation energy of vacancies in the all matrix. However, the formation energy of interstitial atoms close to the GB was lower than that in the other bulk regions
Additional details
Publishing Information
- Journal Title
- Nuclear Engineering and Technology
- Journal Volume
- 53
- Journal Issue
- 5
- Series
- 45 refs, 6 figs
- Journal Page Range
- p. 1587-1592
- ISSN
- 1738-5733
INIS
- Country of Publication
- Korea, Republic of
- Country of Input or Organization
- Korea, Republic of
- INIS RN
- 53091325
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- COMPARATIVE EVALUATIONS; EVOLUTION; FORMATION HEAT; GRAIN BOUNDARIES; INTERSTITIALS; KNOCK-ON; MOLECULAR DYNAMICS METHOD; PLUTONIUM-DELTA; POINT DEFECTS; RADIATIONS; SIMULATION; VACANCIES
- Descriptors DEC
- ACTINIDES; CALCULATION METHODS; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; ELEMENTS; ENTHALPY; EVALUATION; METALS; MICROSTRUCTURE; PHYSICAL PROPERTIES; PLUTONIUM; POINT DEFECTS; REACTION HEAT; THERMODYNAMIC PROPERTIES; TRANSURANIUM ELEMENTS