9523551 Komanduri Molecular dynamics simulation is done on the temporal and spatial scale of atoms, and solves the equations of Molecular dynamics simulation is done on the temporal and spatial scale of atoms, and solves the equations of motion using the fundamental forces that hold atoms together. This is a memory and time intensive computation that is feasible with today's computer technology. In some fields of science and engineering this simulation approach has been used for a number of years, but molecular dynamics is still relatively new in understanding metal cutting processes. This research focuses on nano machining of various materials with single crystal diamond cutting edges using both a simulation and experimental approach. The molecular dynamics models will include the traditional machining parameters. The detailed scale allows the investigation of subsurface damage and the effects of crystallographic orientation and defect structure. In addition, it is possible to take a new look at the wear of diamond tools when machining iron, and the exit failures that occur when a cutting edge leaves a workpiece. Using a nanometer scale machining setup inside a scanning electron microscope, experiments will be conducted to complement and verify the molecular dynamics modeling predictions. The major impact of this research will be in building the research infrastructure to gain a fundamental understanding of machining at the nano level. This will give a technological edge in the design of processes for micro scale precision components and systems. ***
