Can Ordered Precursors Promote the Nucleation of Solid Solutions?

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 (liquid$\to$$L{1}_2$~precursor$\to$solid solution), involving a chemically ordered intermediate that is more organized than the end product. This nucleation pathway arises from the low formation energy of $L{1}_2$ 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.

References in corpus (8)

• Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations
• Roles of icosahedral and crystal-like order in hard spheres glass transition
• Crystal nucleation of hard spheres using molecular dynamics, umbrella sampling and forward flux sampling: A comparison of simulation techniques
• Rate of Homogeneous Crystal Nucleation in molten NaCl
• Critical scaling of icosahedral medium-range order in CuZr metallic glass-forming liquids
• Unusual crystallization behavior close to the glass transition
• Nucleation of stoichiometric compounds from liquid: the role of the kinetic factor
• Effect of the Composition on the Free Energy of Crystal Nucleation for CuPd Nanoalloys

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• The central role of entropy in adiabatic ensembles and its application to phase transitions in the grand-isobaric adiabatic ensemble
• A critical comparison of general-purpose collective variables for crystal nucleation
• Graph-Dynamics correspondence in metallic glass-forming liquids