Effect of AlN nanoparticle doping on thermophysical properties of nitrate via mechanical milling: Experimental studies and microscopic mechanisms

Abstract

A compounding method based on ball milling was used to incorporate AlN into LiNO3 to effectively improve its thermal conductivity. The optimal doping ratio was determined to be 2 wt% with an increase in thermal conductivity of 112.09 % integrating the enthalpy decrease. From the perspective of molecular dynamics simulations, it is demonstrated that AlN achieves a better matching of vibrations with LiNO3 by changing its vibrational modes at the doping ratio of 2 wt% with the support of vibration density of states, overlapping energy and phonon participation ratio. When 2 wt% AlN was added, non-local vibrational modes of LiNO3 increased, which microscopically illustrated the intrinsic mechanism of 2 wt% as the optimal doping ratio. The radial distribution function was used to explain the microscopic mechanism behind the changes in the specific heat of LiNO3 concerning temperature. The reason why the enthalpy of LiNO3 would decrease after AlN added is that AlN can bind LiNO3 molecules on the surface, and LiNO3 is confined by stronger intermolecular forces, leading to a blockage of its phase change behavior. This study proposed a doping method that can uniformly disperse AlN and avoid crystallized water. It also provides a strategy for selecting the appropriate nanoaddictives for compositing in molten salts to enhance energy storage efficiency.