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Large difference in the elastic properties of fcc and hcp hard-sphere crystals

Sander Pronk·Daan Frenkel
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Abstract

We report a numerical calculation of the elastic constants of the fcc and hcp crystal phases of monodisperse hard-sphere colloids. Surprisingly, some of these elastic constants are very different (up to 20%), even though the free energy, pressure and bulk compressibility of the two crystal structures are very nearly equal. As a consequence, a moderate deformation of a hard-sphere crystal may make the hcp phase more stable than the fcc phase. This finding has implications for the design of patterned templates to grow colloidal hcp crystals. We also find that, below close packing, there is a small, but significant, difference between the distances between hexagonal layers (c/a ratios) of fcc and hcp crystals.

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Sander Pronk, Daan Frenkel. 2003-05-20. Large difference in the elastic properties of fcc and hcp hard-sphere crystals. https://doi.org/10.1103/physrevlett.90.255501

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