Analysis of shape, size and structure dependent thermodynamic properties of nanowires

A simple model based on thermodynamic variables is used to study the effect of shape, size and structure on the various thermodynamic properties of nanowires. The expression of cohesive energy derived by Qi and Wang [15, 16] is used and ratio of surface atoms to total number of atoms is expressed in terms of shape parameter, radius of nanowire and atomic packing fraction P-F. The variation in cohesive energy, activation energy, melting temperature, surface energy, Bulk modulus, Energy band gap, Debye temperature and coefficient of volume thermal expansion in nanowires of Zn, beta-Sn, TiO2 (rutile) is studied for cylindrical, triangular, tetragonal, hexagonal and rectangular nanowires using the model. The results obtained are compared with the experimental data available and results from Guisbiers model [11, 12]. The values predicated from the present model are found close to Guisbiers model results and available experimental data.