A Multi-Scale Simulation Study of Irradiation Swelling of Silicon Carbide
Abstract
:1. Introduction
2. Model and Method
3. Simulation Results and Discussion
3.1. Influence of Point Defects on the Volume of Supercell
3.2. Effects of Neutron Dose on Volume Swelling
4. Conclusions
- (1)
- Based on the fast neutron energy spectrum, the evolution of irradiation swelling of SiC film along with fast neutron flux was simulated by the rate theory model ignoring the anti-site defects. It is found that the irradiation swelling rate first changes slowly, then increases significantly near one critical equivalent neutron flux, and finally tends to be constant with the increase of equivalent neutron flux. With the increase of temperature, the irradiation swelling rate decreases and the critical equivalent neutron flux increases, which is consistent with relevant literatures, indicating that the rate theoretical physical model applied in this study can effectively describe the evolution process of SiC irradiation damage.
- (2)
- It is found that for CV, SiV, SiI, CI and SiC, the volume of supercell increases linearly with the increase of defect concentration: for C anti-site point defect (CSi), the supercell volume decreases linearly with the increase of defect concentration; the absolute value of the excess volume caused by Si anti-site point defect (SiC) is close to that by CSi; the excess volume of Si-vacancy (SiV) is smaller than that of C-vacancy (CV), while the excess volume of Si-interstitial (SiI) is larger than that of C-interstitial (CI); the excess volume induced by interstitial defects is larger than that of vacancy defects.
- (3)
- The excess volume increases linearly with the increase of defect concentration when the defect concentration is low.
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Temperature/K | CV | SiV | CI | SiI | SiC | CSi |
---|---|---|---|---|---|---|
600 | 6.12 (5.12) | 4.75 (4.13) | 14.96 (16.64) | 29.07 (27.55) | 13.66 (13.68) | −11.49 (−11.79) |
1500 | 4.95 (4.86) | 4.61 (4.34) | 16.04 (18.07) | 30.51 (29.28) | 14.50 (14.53) | −11.62 (−11.63) |
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Yin, C.; Fu, B.; Jiao, Y.; Duan, Z.; Wu, L.; Zou, Y.; Liu, S. A Multi-Scale Simulation Study of Irradiation Swelling of Silicon Carbide. Materials 2022, 15, 3008. https://doi.org/10.3390/ma15093008
Yin C, Fu B, Jiao Y, Duan Z, Wu L, Zou Y, Liu S. A Multi-Scale Simulation Study of Irradiation Swelling of Silicon Carbide. Materials. 2022; 15(9):3008. https://doi.org/10.3390/ma15093008
Chicago/Turabian StyleYin, Chunyu, Baoqin Fu, Yongjun Jiao, Zhengang Duan, Lei Wu, Yu Zou, and Shichao Liu. 2022. "A Multi-Scale Simulation Study of Irradiation Swelling of Silicon Carbide" Materials 15, no. 9: 3008. https://doi.org/10.3390/ma15093008