Cancellation of Auxetic Properties in F.C.C. Hard Sphere Crystals by Hybrid Layer-Channel Nanoinclusions Filled by Hard Spheres of Another Diameter.

The elastic properties of f.c.c. hard sphere crystals with periodic arrays of nanoinclusions filled by hard spheres of another diameter are the subject of this paper. It has been shown that a simple modification of the model structure is sufficient to cause very significant changes in its elastic properties. The use of inclusions in the form of joined (mutually orthogonal) layers and channels showed that the resulting tetragonal system exhibited a complete lack of auxetic properties when the inclusion spheres reached sufficiently large diameter. Moreover, it was very surprising that this hybrid inclusion, which can completely eliminate auxeticity, was composed of components that, alone, in these conditions, the auxeticity either slightly (layer) or strongly (channel). The study was performed with computer simulations using the Monte Carlo method in the isothermal-isobaric (NpT) ensemble with a variable box shape.