Molecular dynamics simulation of a glissile dislocation interface propagating a martensitic transformation.
The method of Parrinello and Rahman is generalized to include slip in addition to deformation of the simulation cell. Equations of motion are derived, and a microscopic expression for traction is introduced. Lagrangian constraints are imposed so that the combination of deformation and slip conform to the invariant plane shear characteristic of martensites. Simulation of a model transformation demonstrates the nucleation and propagation of a glissile dislocation interface.
Lill
J V
JV
Naval Research Laboratory, Washington, DC 20375-5000, USA.
Broughton
J Q
JQ