0000000000485290
AUTHOR
Ali Kerrache
Phase Behavior and Microscopic Transport Processes in Binary Metallic Alloys: Computer Simulation Studies
In a binary liquid mixture, different kinds of phase transitions can occur that are associated with various mass transport phenomena in the liquid. First, there is the possibility that the liquid undergoes a liquid-liquid demixing transition [1]. Near the critical point of this transition, a slowing down of dynamic properties is observed which is characterized, e.g., by a vanishing interdiffusion coefficient at the critical point [2, 3]. Another possible phase transition is a first-order transition of the liquid into a crystalline structure. In this case, crystal nucleation and growth are limited by the diffusive transport in the liquid [1, 4]. In a binary liquid, crystal nucleation process…
Molecular-dynamics computer simulation of crystal growth and melting in Al 50 Ni 50
The melting and crystallization of Al50Ni50} are studied by means of molecular dynamics computer simulations, using a potential of the embedded atom type to model the interactions between the particles. Systems in a slab geometry are simulated where the B2 phase of AlNi in the middle of an elongated simulation box is separated by two planar interfaces from the liquid phase, thereby considering the (100) crystal orientation. By determining the temperature dependence of the interface velocity, an accurate estimate of the melting temperature is provided. The value k=0.0025 m/s/K for the kinetic growth coefficient is found. This value is about two orders of magnitude smaller than that found in …