title: Molecular dynamics simulation of a glissile dislocation interface propagating a martensitic transformation.
abstract: 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.
authors.affiliation: Naval Research Laboratory, Washington, DC 20375-5000, USA.
authors.forename: J V
authors.initials: JV
authors.lastname: Lill
authors.forename: J Q
authors.initials: JQ
authors.lastname: Broughton