Vacancy migration barrier energetics and pathways in silica
Conference
·
OSTI ID:20014996
A study of vacancy defect migration pathways and energetics in {alpha}-quartz is carried out using an empirical simulation methodology that is coupled with the nudged elastic band method. Results from this study indicate that the migration pathway for migration is between adjacent sites. The authors anticipate the results will guide modifications to empirical potentials for use in the study of point defect formation of more complex systems.
- Research Organization:
- Pacific Northwest National Lab., Richland, WA (US)
- Sponsoring Organization:
- US Department of Energy
- DOE Contract Number:
- AC06-76RL01830
- OSTI ID:
- 20014996
- Country of Publication:
- United States
- Language:
- English
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