Hydrogen diffusion effect on the diamond matrix

These results show the effect of the diffusion of the hydrogen atom, what can be seen that the bonds of the carbon atoms (brown) has increased in length.

SampleTemperatureImage
Small
xy-plane
500oKXZ plane
Small
zy-plane
500oKZY plane
Large500oKlarge 1
Large500oKlarge 2
description: Brown spheres are Carbon atoms and the green spheres are Hydrogen sites.
We can clearly see that due to the hydrogen site the carbon bond moved.