2026-01-21
Rajesh Malan, Aditya Vora, Priyank Kumar, Sandip Bhatt, Basant Kumar Das
The present article is aimed to find the various contribution towards internal energy and Helmholtz free energy of the liquid binary alloys . Together with the free energy of the electron gas , Madelung contribution average translational kinetic energy and perturbation components and the internal energy is computed. The internal energy and entropy of the system are used in the variational method to calculate the Helmholtz free energy The pseudopotential given by Fiolhais is used for the present calculations. The thermodynamical quantities are presented with eight different screening and exchange and correlation functions.
2026-01-21
Monika Goyal
An analytical model has been presented to examine the dependence of the melting temperature on the size of nanosolids. The model takes into account the size, shape parameter, packing fraction based on crystalline structure, solid-liquid interfacial energy, and surface stress. The model is extended form of qualitative model used earlier to study the size dependent thermophysical properties in nanostructures. The impact of the solid-liquid interfacial energy to surface stress on melting temperature is included in the current approach since the size-dependent melting temperature is linearly proportional to this term. The model is used to study the melting temperature variation with the reduction in size of the free standing metallic nanosolids viz. Au, Ag, Al, Cu, Bi, Ni, Pb, β-Sn, Zn. The drop in melting temperature is noticed with the size reduction of the metallic nanostructure. For the nanomaterials under investigation, the model results are found to be consistent with the published experimental and simulated data.