A combined first principles and Mohr-Coulomb criterion for the determination of the nanohardness of amorphous silicon
Although, the evaluation of the nanohardness of amorphous silicon (a-Si) has been the subject of a few experimental works read more but, to date, it has not been addressed theoretically yet.In this work, first principles Kohn-Sham density functional theory (DFT)-based molecular dynamics (MD) in combination with Mohr-Coulomb criterion is employed to