| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1795507 | Journal of Crystal Growth | 2008 | 6 Pages |
We have carried out molecular dynamics simulations of solidification of Lennard-Jones melts including various kinds of impurity molecules, to investigate the crystal growth inhibition mechanism at microscopic interfaces. Strong anisotropy was observed in growth rate of the layers including an impurity between FCC (1 0 0) and (1 1 1) planes. In (1 0 0) growth, solvophobic impurities inhibited the growth stronger than solvophilic impurities. Chain-shape impurity located parallel to the interface decreased the growth rate significantly, in comparison to the one located normal to the interface. In (1 1 1) growth, however, solvophilic impurities strongly inhibited the growth as well as solvophobic impurities. In addition, both of the chain-shape impurities located normal and parallel to the interface apparently reduced the growth rate. With these results, the mechanism of growth inhibition by impurity molecule is discussed.
