Published online by Cambridge University Press: 15 February 2011
According to classical nucleation theory the nucleation- and phase-selection behavior of undercooled meltallic melts is strongly dependent on the solid-liquid interfacial energy.
A structural approach to the modelling of the interfacial energy for simple melt-crystal interfaces (fcc, hcp, bcc) was developed a number of years ago [1-4]. This approach is extended to polytetrahedral phases using numerical simulation. Results of these calculations are presented for different polytetrahedral structures: the tetragonal σ-phase in Ni-V, the monoclinic phase λ-Al13Fe4, the orthorhombic phase μ-Al5Fe2 and the icosahedral quasicrystalline I-phase in Al-Pd-Mn. The numerically estimated values for the solid-liquid interfacial energy are compared with results from experiments on the undercooling- and phase-selection behavior.