Interstitialcy mechanism
Posted: Fri Feb 29, 2008 3:37 pm
Hello everyone,
Has anybody tried to simulate the interstitialcy mechanism ? I am having trouble figuring the transition state. For example I know for vacancy diffusion in the [100] direction, the transition state would be 2 vacancies and one interstitial in the middle of those two.
Any help would be appreciated.
Has anybody tried to simulate the interstitialcy mechanism ? I am having trouble figuring the transition state. For example I know for vacancy diffusion in the [100] direction, the transition state would be 2 vacancies and one interstitial in the middle of those two.
Any help would be appreciated.