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Comment on "Large Difference in the Elastic Properties of fcc and hcp Hard-Sphere Crystals"

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arxiv cond-mat/0412361 v1 pith:EWEWUGVG submitted 2004-12-14 cond-mat.soft cond-mat.stat-mech

classification cond-mat.softcond-mat.stat-mech
keywords crystalhard-sphereelasticpropertiescomputercrystalsdifferentpredictions
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As is well known, hard-sphere crystals of the fcc and hcp type differ very little in their thermodynamic properties. Nonetheless, recent computer simulations by Pronk and Frenkel indicate that the elastic response to mechanical deformation of the two types of crystal should be quite different. By invoking a geometrical argument put forward by R. Martin some time ago, we suggest that this is largely due to the different symmetries of the fcc and hcp crystal structures. Indeed, we find that elastic constants obtained by means of computer simulations for the fcc hard-sphere crystal can be mapped onto the equivalent ones of the hcp crystal to very high accuracy. The same procedure applied to density functional theoretical predictions for the elastic properties of the fcc hard-sphere crystal also produces remarkably accurate predictions for those of the hcp hard-sphere crystal.

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