Atomistic configurations and energetics of crack extension in silicon.
We report the first atomistic determination of the minimum energy path for a series of bond ruptures to advance a crack front. Saddle-point configurations on (111) cleavage planes in Si reveal a steplike distribution of atomic displacements, implying a kink mechanism which is known to control dislocation mobility. Manifestations of lattice trapping and directional cleavage anisotropy are further elucidated.
Zhu
Ting
T
Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA.
Li
Ju
J
Yip
Sidney
S