Modeling shape and size dependence of thermal expansion and Debye temperature of nanocrystals

A simple theoretical model is developed to explore the size and shape dependence of thermal expansion and Debye temperature of nanomaterials. The model theory is based on cohesive energy and surface area change of the nanocrystals compared to the bulk crystals. It is found that the Debye temperature decreases with the decrease in particle size whereas, the thermal expansion increases as the particle size decreases. The present modelling results and predictions are very consistent with the available experiment results, implying that the model could be expected to be a general approach to understand the thermodynamic properties of nanomaterials. Copyright © 2017 VBRI Press