Molecular dynamics simulation of diamond tool cutting: temperature, stress, and tool integrity analysis

AE Tsopoe and B Das and P Moirangthem and TB Chetri and YI Singh and J Gogoi and SK Tamang and VV Kumar, MOLECULAR SIMULATION, 51, 585-599 (2025).

DOI: 10.1080/08927022.2025.2509763

Diamond tool cutting is widely used for precision machining of iron and other metals due to its exceptional hardness and wear resistance. However, the atomic-scale mechanisms of the cutting process remain complex. This study uses molecular dynamics (MD) simulations via LAMMPS to investigate nanoscale cutting of nickel and aluminium with a diamond tool. The simulations provide key insights into temperature distribution, cutting stress variations, and the impact of tool cracks on machining performance. Temperature analysis shows rapid heat generation at the tool-workpiece interface from friction, with nickel accumulating more heat than aluminium due to its higher hardness and work-hardening properties. A transient thermal equilibrium occurs around 5000 timesteps, followed by divergence due to continuous energy transfer. Cutting stress analysis reveals nickel experiences higher stresses (similar to 7.5 GPa) due to its resistance to plastic deformation, while aluminium shows lower, fluctuating stresses influenced by chip formation. A prefabricated tool crack increases tangential stress and reduces normal stress after 30,000 timesteps, highlighting tool integrity's role. Tool rotation analysis indicates a 15 degrees rotation optimizes stress and temperature for nickel, while 30 degrees is ideal for aluminium. These findings enhance understanding of nanoscale cutting mechanics and emphasize optimizing tool angles to reduce wear and improve efficiency. Future work will explore real-world conditions, including tool vibrations and dynamic loading, with real- time validation using micro-machining trials to refine predictive models.

Return to Publications page