Computer simulations of martensitic transformations in iron-nickel and nickel-aluminium alloys

This thesis focuses on the martensitic transformations in iron-nickel and nickel-aluminum alloys. Molecular-dynamics simulations have been done, employing potentials based on the so-called embedded-atom method (EAM). These potentials were obtained by a fit of parameterized functions to experimental data of the elements iron, nickel, and aluminum as well as the intermetallic compound NiAl. Many aspects of the austenitic transformation in iron-nickel alloys and both, the martensitic and austenitic transformations, in nickel-aluminum alloys were reproduced well by the simulations. The results allow to draw conclusions on the reasons of differences and similarities in the behavior of both alloy systems