Graduation Year


Document Type




Degree Granting Department

Mechanical Engineering

Major Professor

Frank Pyrtle, III


Density, LAMMPS, Nonequilibrium Thermodynamics, Shear Viscosity, Thermal Conductivity


Using equilibrium molecular dynamics simulations, an analysis of the key thermophysical properties critical to heat transfer processes is performed. Replication of thermal conductivity and shear viscosity observations found in experimental investigations were performed using a theoretical nanopthesis-fluid system and a novel colloid-fluid interaction potential to investigate the key nanofluid parameters. Analysis of both the heat current (thermal conductivity) and stress (shear viscosity) autocorrelation functions have suggested that the dominant physical mechanisms for thermal and momentum transport arises from enhancements to the longitudinal and transverse acoustic modes energy transfer brought about by the increased mass ratio of the nanopthesis to the fluid. This conclusion was further supported by analysis of the local density fluctuations surrounding increasing nanopthesis diameters where the longitudinal acoustic mode characteristics for density fluxes were seen to be enhanced by the presence of the heavier platinum nanopthesiss. It is then concluded that the key macroscopic characteristic in obtaining the largest thermal energy transfer enhancement is through the mass of the nanopthesis relative to the base fluid. Also, the small local density effects in the nanofluid are greatly affects the viscosity calculations. These conclusions provide the theoretical framework for many of the experimental results obtained.