Simulation of silicon machining with molecular dynamics

Abstract

When machining brittle materials at microscales, it is possible to achieve cutting in a ductile mode. However, escalating the depth of cut to a critical threshold induces a transition from ductile to brittle behavior in the material removal process. This shift towards brittle machining is closely linked to phase changes within the material. This research simulates the alterations in phase transitions during the machining of silicon with a simulated Berkovich indenter. Utilizing the Tersoff potential to model atomic-level interactions, the study highlights the movement of silicon particles in a system enhancing the durability and manufacturing efficiency of semiconductor devices. It also examines silicon's response to mechanical stress, focusing on the phase transitions crucial for the success of the machining process. Through detailed analysis, this work deepens the understanding of silicon's mechanical behavior at the nanoscale, making a substantial contribution to the fields of materials science and engineering. The application of nanoindentation techniques and simulations via the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) provides valuable insights into the nanoscale mechanical properties of silicon, thereby paving the way for future advancements in materials science and engineering.