How can I model lattice diffusion of a gas in bulk material?

23 June 2014 1 4K Report

Diffusion modelling of Hydrogen through lattice

The modelling of Hydrogen diffusing through .. or within .. a lattice structure is a complicated issue .. typically complicated by resultant lattice charges, internal electric fields and additional sources of mechanical or optical 'interference' such as temperature and incident photon interaction. Also, the inherent dynamic charge state of the hydrogen diffusion, or migration, within the lattice structure must be dynamically .. locally .. determined and accommodated throughout the diffusion process.

As just one instance of an example, please read my paper ..

Photon enhanced diffusion model for α-Si:H photo-degradation

For Hydrogen, diffusion, charge, the local lattice environment, electrostatics (together with electric field enhanced diffusion) and photon interaction all seem to play a complex dynamic interactive part.

I hope these coments will aid you in some way. Others will no doubt assist your quest further.

regards GJP

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