Effect of the Interface on the Compressibility of Substances with Spherical Nano-Inhomogeneities on the Example of Al/C60

Abstract

The paper examines the compressibility of media with nano-inhomogeneities using the example of an aluminum melt and C60 fullerenes immersed in it. The results of molecular dynamics simulations indicate a significant effect of the interface on the effective compressibility of a heterogeneous medium. It is found that the application of the rule of mixture for the Al/C60 system results in an incorrect qualitative picture of the dependence of compressibility on the concentration of fullerenes. To explain this effect, an analytical model is proposed that takes into account the reduction in distances between atoms of different components during compression. The model makes it possible to estimate the effective mechanical characteristics of a liquid with nano-inhomogeneities within the framework of the mechanical approach, and correctly predicts the nature of the change in the dependence of compressibility on concentration.