Spontaneous Crystallization in Systems of Binary Hard Sphere Colloids

Praveen K. Bommineni, Marco Klement, and Michael Engel
Phys. Rev. Lett. 124, 218003 – Published 28 May 2020
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Abstract

Computer simulations of the fluid-to-solid phase transition in the hard sphere system were instrumental for our understanding of crystallization processes. But while colloid experiments and theory have been predicting the stability of several binary hard sphere crystals for many years, simulations were not successful to confirm this phenomenon. Here, we report the growth of binary hard sphere crystals isostructural to Laves phases, AlB2, and NaZn13 in simulation directly from the fluid. We analyze particle kinetics during Laves phase growth using event-driven molecular dynamics simulations with and without swap moves that speed up diffusion. The crystallization process transitions from nucleation and growth to spinodal decomposition already deep within the fluid-solid coexistence regime. Finally, we present packing fraction–size ratio state diagrams in the vicinity of the stability regions of three binary crystals.

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  • Received 12 December 2019
  • Accepted 8 May 2020

DOI:https://doi.org/10.1103/PhysRevLett.124.218003

© 2020 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied PhysicsStatistical Physics & ThermodynamicsPolymers & Soft Matter

Authors & Affiliations

Praveen K. Bommineni, Marco Klement, and Michael Engel*

  • Institute for Multiscale Simulation, IZNF, Friedrich-Alexander University Erlangen-Nürnberg, Cauerstrasse 3, 91058 Erlangen, Germany

  • *michael.engel@fau.de

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Issue

Vol. 124, Iss. 21 — 29 May 2020

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