Equation of state and properties of fcc gold in macro and nano-sized state

An approach to studying the state equation and the thermodynamic properties of both a macrocrystal and a nanocrystal from a unified standpoint is proposed. The calculation of th state equation for gold showed good agreement with the experimental data. Graphs of pressure dependences were obtained for the following properties: bulk modulus, thermal expansion coefficient, isochoric and isobaric heat capacities, surface energy. An isobaric (at P = 0) size dependence of the distance between the centers of the nearest atoms and the melting temperature of a gold nanocrystal is obtained. It was shown that the size dependence of the melting temperature in the case of the isobaric conditions increases with the change in the nanocrystal size more rapidly compared with the isochoric conditions. (paper)