Communication: From close-packed to topologically close-packed: Formation of Laves phases in moderately polydisperse hard-sphere mixtures

Date
2018-05-15
Authors
Lindquist, Beth A.
Jadrich, Ryan B.
Truskett, Thomas M.
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Publisher
AIP Publishing
Abstract

Particle size polydispersity can help to inhibit crystallization of the hard-sphere fluid into close-packed structures at high packing fractions and thus is often employed to create model glass-forming systems. Nonetheless, it is known that hard-sphere mixtures with modest polydispersity still have ordered ground states. Here, we demonstrate by computer simulation that hard-sphere mixtures with increased polydispersity fractionate on the basis of particle size and a bimodal subpopulation favors the formation of topologically close-packed C14 and C15 Laves phases in coexistence with a disordered phase. The generality of this result is supported by simulations of hard-sphere mixtures with particle-size distributions of four different forms.

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Citation
Beth A. Lindquist, Ryan B. Jadrich, Thomas M. Truskett; Communication: From close-packed to topologically close-packed: Formation of Laves phases in moderately polydisperse hard-sphere mixtures. J. Chem. Phys. 21 May 2018; 148 (19): 191101. https://doi.org/10.1063/1.5028279