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Oren's Thesis Calculus Summary There are four principal categories of studies

Summary: Oren's Thesis Calculus Summary
There are four principal categories of studies:
1. Hydrogen diffusion in Diamond crystals.
2. Hydrogen molecule diffusion in Diamond crystals.
3. Hydrogen diffusion in semi-frozen diamond.
4. Growth of Nano-Diamond in amorphous carbon.
1 Hydrogen diffusion in Diamond crystals.
Two samples of perfect Diamond crystals. One of them a 2 x 2 x 2 unit cells,
i.e. 64 carbon atoms. The second consists in a 3 x 3 x 3 unit cell crystal with
216 carton atoms. A different number of hydrogen atoms were introduced.
The original place of the hydrogen was the tetrahedral interstitial site (Td).
1.1 64 C + 1 H.
Periodic boundary conditions.
Temperature: 500K.
(Section 4.1)
1.2 64 C + 4 H.
Periodic boundary conditions.


Source: Adler, Joan - Physics Department, Technion, Israel Institute of Technology


Collections: Physics