Date of Award
This thesis pertains to the application of classical molecular dynamic simulations using reactive potentials to create a stable nanodiamond with properties as determined by quantum simulations. Nanodiamonds possess large amounts of Structural Bond Energy (SBE) and they have internal pressures as high as 50 GPa. Nanodiamonds could be used as potential energetic materials if their bond energy could be released.
Faruq, Ferdaus, "Study Of Nanodiamonds Using Molecular Dynamic Simulations With Reactive Potentials" (2010). Theses. 26.