NUMERICAL-SIMULATION OF MARTENSITIC TRANSFORMATIONS IN MAGNETIC TRANSITION-METAL ALLOYS

We have performed molecular-dynamics (MD) simulations of martensitic n ucleation processes in iron-based transition-metal alloys. In order to handle a sufficiently large number of atoms in the simulation process , use has been made of the embedded-atom method (EAM). Results for str uctural transition temperatures, superelastic behavior as well as tend ential-shape memory effects compare qualitatively well with experiment al results. Results are also compared with a zero-temperature stabilit y analysis on the basis of full-potential band-structure calculations. (C) 1998 Elsevier Science B.V. All rights reserved.