Metastable defect formation processes in amorphous hydrogenated material were simulated by using molecular dynamics methods. The simulations involved computer-generated amorphous hydrogenated networks that contained either monohydride species, or both monohydride and dihydride bonding species. A localized excitation was used to model non-radiative energy transfer to the lattice. The monohydride amorphous hydrogenated model was stable with respect to bond-breaking excitations. The amorphous hydrogenated model with dihydrides was less stable and exhibited metastable dangling bond states that involved the complex re-bonding of several atoms in the vicinity of the dangling bond defects.

R.Biswas, I.Kwon, C.M.Soukoulis, Q.M.Li: Solid State Phenomena, 1995, 44-46, 723-8