Theoretical Investigation of Size and Shape Dependent Melting Temperature on Transition Metal Clusters

Abstract

This thesis mainly presents the study of theoretical investigation of the size and shape dependent melting temperature on transition metal clusters (Cr, W, and Mo) with their special parameter of shape factor are theoretically and analytically used in thermodynamic mode. Particle shape is considered by introducing a shape factor. According to our study, if the size of particle decreases, the ratio melting temperatures of transition metal clusters increase, and if the shape factor of the parameter increases, the ratio melting temperatures of transition metal clusters decrease. The melting temperature generally decreases with increasing cluster size, due to the increased surface-to-volume ratios. This increased ratio makes it easier for the atoms of the surface to escape from the cluster, leading to a lower melting temperature.