Fig. 3
Deformation mechanism of α-Ag2S under pure shear load along the (001)[010] slip system. a The initial structure at 0.0 shear strain. b Atomic structure at 0.417 shear strain, which corresponds to the maximum shear stress. c Atomic structure at 1.149 shear strain, before the structural failure. d Atomic structure at the failure strain of 1.196. e The typical bond lengths (Ag1−S1, Ag2−S1, Ag3−S1, and Ag4−S1) as a function of shear strain. f The Ag1−S1−Ag3 and Ag2−S1−Ag3 bond angles as a function of shear strain
