We report on the structure and mass transport properties of liquid Al–Cu alloys predicted by two recently-developed empirical many-body potentials: MEAM (Jelinek et al., 2012) and EAM-ADP (Apostol and Mishin, 2011), and by the well-known Gupta potential. Total and partial pair correlation functions, angular distribution functions, densities, coordination numbers and self-diffusion coefficients are compared with published experimental...

W pracy zaprezentowano wyniki badań nad zmianami strukturalnymi w układach ciekłego Bi i małych cząsteczek Ni lub Cu w zakresie temperatur od 615 do 1145K. Zaobserwowano (SEM) mikrostruktury kompozytowe i przeanalizowano dla różnych temperaturach i różnych czasów mieszania. Strukturę układów Bi-Ni oraz Bi-Cu, zarówno w stanie stałym i ciekłym, zbadano za pomocą dyfrakcji rentgenowskich.

The thermophysical properties of metal alloys are often investigated via molecular dynamics (MD) simulations.An exact and reliable estimation of the thermophysical parameters from the MD data requires a properly and carefullyelaborated methodology. In this paper, an improved two-phase sandwich method for the determination of the metal meltingtemperature is proposed, based on the solid-liquid equilibrium theory. The new method was...