Nonequilibrium molecular dynamics simulation of rapid directional solidification

Details Nonequilibrium molecular dynamics simulation of rapid directional solidification Nonequilibrium molecular dynamics simulation of rapid directional solidification

2000-07-26

arxiv.org/abs/cond-mat/0007423v1

Phys. Rev. B {\bf 62}, 14006 (2000)

Physics

Condensed Matter

Materials Science

Submitted to Phys. Rev.B

Scientific paper

10.1103/PhysRevB.62.14006

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, $V$, 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 $V$ 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 $V$, even at the highest velocities considered here ($V\simeq10$ms$^{-1}$).

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