  The reverse martensitic ("austenitic") transformation upon heating of
equiatomic nickel-titanium nanoparticles with diameters between 4 and 17 nm is
analyzed by means of molecular-dynamics simulations with a semi-empirical model
potential. After constructing an appropriate order parameter to distinguish
locally between the monoclinic B19' at low and the cubic B2 structure at high
temperatures, the process of the phase transition is visualized. This shows a
heterogeneous nucleation of austenite at the surface of the particles, which
propagates to the interior by plane sliding, explaining a difference in
austenite start and end temperatures. Their absolute values and dependence on
particle diameter are obtained and related to calculations of the surface
induced size dependence of the difference in free energy between austenite and
martensite.
