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Title: Modeling of long-term defect evolution in heavy-ion irradiated 3C-SiC: Mechanism for thermal annealing and influences of spatial correlation

Based on the parameters from published ab-initio theoretical and experimental studies, and combining molecular dynamics and kinetic Monte Carlo simulations, a framework of multi-scale modeling is developed to investigate the long-term evolution of displacement damage induced by heavy-ion irradiation in cubic silicon carbide. The isochronal annealing after heavy ion irradiation is simulated, and the annealing behaviors of total interstitials are found consistent with previous experiments. Two annealing stages below 600 K and one stage above 900 K are identified. The mechanisms for those recovery stages are interpreted by the evolution of defects. The influence of the spatial correlation in primary damage on defect recovery has been studied and found insignificant when the damage dose is high enough, which sheds light on the applicability of approaches with mean-field approximation to the long-term evolution of damage by heavy ions in SiC.
Authors:
; ; ;  [1] ;  [2]
  1. School of Nuclear Science and Technology, Xi'an Jiaotong University, Xi'an 710049 (China)
  2. IMDEA Materiales, C/ Eric Kandel, 2, Tecnogetafe, 28906 Getafe, Madrid (Spain)
Publication Date:
OSTI Identifier:
22402706
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 20; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 36 MATERIALS SCIENCE; ANNEALING; COMPUTERIZED SIMULATION; DAMAGE; DOSES; EVOLUTION; HEAVY IONS; INTERSTITIALS; IRRADIATION; MATERIALS RECOVERY; MEAN-FIELD THEORY; MOLECULAR DYNAMICS METHOD; MONTE CARLO METHOD; SILICON CARBIDES