Can Ordered Precursors Promote the Nucleation of Solid Solutions?

Caroline Desgranges and Jerome Delhommelle
Phys. Rev. Lett. 123, 195701 – Published 5 November 2019
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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 (liquidL12 precursorsolid solution) involving a chemically ordered intermediate that is more organized than the end product. This nucleation pathway arises from the low formation energy of L12 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.

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  • Received 2 July 2019

DOI:https://doi.org/10.1103/PhysRevLett.123.195701

© 2019 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Caroline Desgranges and Jerome Delhommelle

  • Department of Chemistry, New York University, New York, New York 10003, USA and Department of Chemistry, University of North Dakota, Grand Forks, North Dakota 58202, USA

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Issue

Vol. 123, Iss. 19 — 8 November 2019

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