Dislocation emission at the silicon/silicon nitride interface: A million atom molecular dynamics simulation on parallel computers

Mechanical behavior of the Si(111)/Si3N4(0001) interface is studied using million atom molecular dynamics simulations. At a critical value of applied strain parallel to the interface, a crack forms on the silicon nitride surface and moves toward the interface. The crack does not propagate into the silicon substrate; instead, dislocations are emitted when the crack reaches the interface. The dislocation loop propagates in the (1¯1¯1) plane of the silicon substrate with a speed of 500(±100)m/s. Time evolution of the dislocation emission and nature of defects is studied. © 2000 The American Physical Society.