3 research outputs found
Nonequilibrium molecular dynamics simulation of rapid directional solidification
We present the results of non-equilibrium molecular dynamics simulations for
the growth of a solid binary alloy from its liquid phase. The regime of high
pulling velocities, , for which there is a progressive transition from
solute segregation to solute trapping, is considered. In the segregation
regime, we recover the exponential form of the concentration profile within the
liquid phase. Solute trapping is shown to settle in progressively as is
increased and our results are in good agreement with the theoretical
predictions of Aziz [J. Appl. Phys. {\bf 53}, 1158 (1981)]. In addition, the
fluid advection velocity is shown to remain directly proportional to , even
at the highest velocities considered here (ms).Comment: Submitted to Phys. Rev.