Systematic calculation of threshold displacement energies: Case study in rutile
A generalized and systematic method of calculating threshold displacement energies (Ed ) using molecular dynamics simulations has been developed and applied to rutile TiO2. Statistically representative results have been achieved through fine sampling of impact energy and trajectory for each atomic s...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
American Physical Society
2012
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| Online Access: | http://hdl.handle.net/20.500.11937/43914 |