Development of thermodynamic model for size, shape, pressure and temperature dependent properties of nanomaterials
Sandhya Bhatt and Munish Kumar
A simple theoretical model is developed to study the properties of nanomaterials under varying conditions of size, shape, pressure and temperature. The model is also applicable for their bulk counterparts. We have considered MgO and Mg2SiO4 minerals as examples. The model has been used to study the equation of state, elastic properties and thermal expansion under different conditions of size, shape, pressure and temperature, in addition to the bulk properties. The results obtained are compared with the available experimental data. A good agreement between model predictions and experimental data supports the validity of the model developed. It is realized that such a simple model which unifies the behaviour of nano and bulk material under different conditions is the first attempt in theory.
Keywords: Nanocrystalline minerals, high pressure, high temperature, size and shape