Executive Summary : | The study of the structure, transport, dynamic, and thermodynamic properties of liquid metals and alloys has been a topic of interest in recent decades. These materials are used in various fields such as 3D printing, intelligent sensing electronic skin, tensile conductors, driving machines, energy storage devices, catalysts, and medicine for drug delivery. However, performing microscopic structural studies is challenging in condensed matter physics and chemistry research. Liquid metals and alloys have unique properties such as flexibility, fluidity, high thermal and electrical conductivities, and potential electrocatalysts. High entropy alloys have been studied as potential electrocatalysts, while low-temperature liquid metals and alloys are emerging as promising materials for energy storage devices. The study of liquid state properties is more complicated due to their irregular structure compared to solids. Dynamic and transport properties of liquids are difficult to measure experimentally, and molecular dynamic simulations are often used for studying these properties. This project aims to study the structure, transport, dynamic, and thermodynamic properties of low-temperature liquid metals and alloys theoretically using statistical mechanical thermodynamic perturbation theory with a square-well model potential under the framework of mean spherical approximation. The study will investigate the energy storage capacity of low-temperature liquid melts, the temperature and composition effect on structure, transport, surface, thermodynamic, and dynamic properties, and the correlation functions of binary liquids for high entropy alloys. This project will provide a detailed understanding of the structure and thermodynamics of liquid metals and alloys, as well as their energy storage capability, catalytic behavior, and potential future directions for industries and scientific research. |