Molecular Dynamics Study of Iron-Nickel Alloys

Nickel aluminum shape memory alloys via molecular dynamics

Morrison, Keith R. M.S.M.S.E., Purdue University, August 2014. Nickel Aluminum Shape Memory Alloys via Molecular Dynamics. Major Professor: Alejandro Strachan. Shape memory materials are an important class of active materials with a wide range of applications in the aerospace, biomedical, and automobile industries. These materials exhibit the two unique properties of shape memory and superelast...

" Catalytic Reactions on Iron / Cobalt and Iron / Nickel Alloys

Electrical resistivity of ferromagnetic nickel and iron based alloys

We discuss in detail the theoretical basis for the two-band model with spinmixing which has been widely applied to the analysis of the transport properties of ferromagnetic metals. This model is shown to have much more general validity than the original presentation suggested. The model is then applied to resistivity data in Ni and Fe based alloys to obtain a consistent set of parameters for th...

Molecular Dynamics Study of Thermal Properties of Intermetallic Alloys

Molecular dynamics simulations of bulk copper, gold pure metals and their ordered intermetallics alloys of Cu3Au(L12) and CuAu3(L12) have been carried out between above 0 K and below the their melting points of the materials for predicting their temperature-dependent thermophysical properties. The effects of temperature and concentration on the physical properties such as enthalpy, volume, heat...

Molecular-dynamics study of surface segregation in liquid semiconductor alloys

We report the results of a molecular-dynamics study of the surface tension and surface profile of liquid Si and Ge (l -Si and l -Ge! and their alloys using empirical Stillinger-Weber potentials. The calculations are carried out at two temperatures slightly above the melting temperatures of Si and Ge and the alloys Si 0.8Ge 0.2 and Si 0.2Ge 0.8 . They show clear evidence of surface segregation b...