Molecular dynamics study on nanogrinding behavior of lamellar heterostructure gallium nitride

Lamellar heterostructures containing gallium nitride (GaN) have excellent photoelectric properties and also play an important role in lighting, the quantum field, and other fields. Exploring the nanoscale processing of lamellar heterostructure GaN is crucial to the manufacturing of high-performance devices based on heterostructure GaN. In this paper, the microstructure, surface morphology, dislocation length, Von Mises stress, temperature, number of removed atoms, and surface roughness of lamellar heterostructure GaN were systematically investigated using molecular dynamics simulation. The results show the presence of a large number of phase transitions, dislocation growth, and stress during nanogrinding; moreover, temperature also increases during this process. Furthermore, increasing the grinding speed will inhibit dislocation growth; increasing the grinding depth will cause extensive damage to the material surface. Therefore, this study presents a theoretical basis for the processing of lamellar heterostructure GaN.