The effects of the size of nanocrystalline materials on their thermodynamic and mechanical properties

Abstract

This work has considered the intrinsic influence of bond energy on the macroscopic, thermodynamic, and mechanical properties of crystalline materials. A general criterion is proposed to evaluate the properties of nanocrystalline materials. The interrelation between the thermodynamic and mechanical properties of nanomaterials is presented and the relationship between the variation of these properties and the size of the nanomaterials is explained. The results of our work agree well with thermodynamics, molecular dynamics simulations, and experimental results. This method is of significance in investigating the size effects of nanomaterials and provides a new approach for studying their thermodynamic and mechanical properties.

Effects of grain size and thermodynamic energy on the lattice parameters of metallic nanomaterials

“…Furthermore, some reports indicate that Young's modulus Y, the atomic bond energy, and cohesive energy are associated [15]. Consequently:…”

“…Nanda et al [14] postulated that a nanoparticle can be described as a liquid drop. However, this method implies that the surface tension and elastic modulus do not decrease with the size, and it is indeed possible to come to incorrect conclusions for nanoscale materials [15].…”

Vibrational Properties of Nanocrystals from the Debye Scattering Equation

“…The B -factor for the powder of palladium nanocubes is 0.62 Å 2 , higher than the literature reference for the bulk phase ( B = 0.45(6) Å 2 17 ) and comparable to literature values for nanocrystalline palladium 13 18 . Reasons for the increased value can be ascribed to phonon confinement and surface effects common to nanocrystals 11 19 20 21 22 . However, it is worth noting the literature values have been obtained from a traditional DW factor, whereas equation 10 and the TDSE provide a better average, made over the different coordination shells, correctly accounting for diffuse as well as Bragg scattering.…”

Debye–Einstein approximation approach to calculate the lattice specific heat and related parameters for a Si nanowire

“…Xiaohua et al showed the interrelation between the thermodynamic and mechanical properties of nanomaterials. These researchers presented the relationship between the variation of these properties and showed decreases in the Debye temperature, Young's modulus and specific heat capacity of Ag nanocrystals as the size decreases [22].…”