Molecular Dynamics Modeling of Nanoscale Machining of Silicon

In this study, the brittle-ductile transition in nanometric machining of mono-crystalline silicon with precise tool specifications and parameter choices is accessed. Due to its brittle nature, silicon material requires a ductile-mode machining for improved surface quality. Molecular dynamics (MD) methods are thus applied to investigate the atomistic reaction at the tool/workpiece surface to clearly expose the ductile transition response of this nanometric process. However, the need for experimental validations to determine the accuracy of these simulation models is essential. This research is particularly concerned with the application of the molecular dynamics simulation approach to the atomistic visualization of the plastic material flow at the tool/workpiece interface during orthogonal cutting. Simulated MD acting force and temperature outputs are evaluated to access the accuracy of the model. This evaluation substantiates the need for additional experimental validation of certain process conditions for verifiable MD results.