Abstract
Crystallization often proceeds through successive stages that lead to a gradual increase in organization. Using molecular simulation, we determine the nucleation pathway for solid solutions of copper and gold. We identify a new nucleation mechanism ( solution) involving a chemically ordered intermediate that is more organized than the end product. This nucleation pathway arises from the low formation energy of clusters which, in turn, promote crystal nucleation. We also show that this mechanism is composition dependent since the high formation energy of other ordered phases precludes them from acting as precursors.
- Received 2 July 2019
DOI:https://doi.org/10.1103/PhysRevLett.123.195701
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