Molecular Dynamics Simulation of Point Defect Accumulation in 3C-SiC
Defect accumulation in silicon carbide has been simulated by molecular dynamics using a Brenner-type potential connected smoothly to the Ziegler-Biersack-Littmark potential. Displacement damage in 3C-SiC, which is known to consist of point defects, vacancy and interstitial clusters and anti-site defects, was modelled by introducing random displacements in the Si or C sublattice. SiC was amorphized by Si displacements at a damage level corresponding to 0.15 displacements per atom (dpa) and by C displacements at 0.25 dpa. In both cases, the damage consists of Si and C Frenkel pairs as well as anti-site defects. The results provide evidence that SiC can be amorphized by displacing C atoms exclusively and suggest that short-range disorder provides the driving force for amorphization of SiC.
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 15007640
- Report Number(s):
- PNNL-SA-40161; 8208; 3448; KC0201020; TRN: US0402210
- Resource Relation:
- Conference: Radiation Effects and Ion Beam Processing of Materials, Materials Research Society Symposium Proceedings held December 1-5, 2003, Boston, Massachusetts, 792:479-484, Paper No. R4.1
- Country of Publication:
- United States
- Language:
- English
Similar Records
Computer Simulation Of Energy Dependence Of Primary Damage States In SiC
Molecular Dynamics Simulation of Defect Production in Collision Cascades in Zircon