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<p>The present study investigates the mechanisms in nanoscale cutting of titanium (Ti) using the molecular dynamics simulation (MDS) approach. The research work models nanocutting using two different cutting-edge configurations that emulate the initial and final stages of actual cutting conditions. The chip formation mechanism, deformation, structural transformations, and dislocation flow are analysed in the Ti workpiece machined with sharp-edged and radiused cutting tools. A hybrid potential approach, using the Embedded Atom Method (EAM) for the Ti-Ti interactions within the workpiece, the Tersoff potential for the C-C interactions within the tool, and the Morse potential for interactions between the tool and the workpiece, was adopted in the MD model. The simulation results suggest that the cutting mechanism is highly influenced by the tool edge geometry. The sharp tool edge is subjected to greater cutting forces than thrust forces, resulting in shear deformation, whereas the radiused tool experiences higher thrust forces (140 % higher than that of the sharp tool), leading to a ploughing mechanism. Furthermore, it is noticed that the radiused tool produces a lot of complex dislocations (~71% higher), such as Shockley, perfect, stair-rod, and Hirth and Frank dislocations, which glide deeper into the bulk material as compared to the sharp tool, causing higher subsurface damage.</p>

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A Molecular Dynamics Simulation Investigation on the Influence of the Tool Edge Geometry in Nanoscale Machining of Titanium

  • 期刊论文

  • 发表日期：

    2026年4月30日

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  • Richard Ambrose,
  • Nishith Virmani,
  • Bharat Singh,
  • Anisha Vats,
  • Srinjoyee Chakravarty,
  • Anuj Sharma

摘要

The present study investigates the mechanisms in nanoscale cutting of titanium (Ti) using the molecular dynamics simulation (MDS) approach. The research work models nanocutting using two different cutting-edge configurations that emulate the initial and final stages of actual cutting conditions. The chip formation mechanism, deformation, structural transformations, and dislocation flow are analysed in the Ti workpiece machined with sharp-edged and radiused cutting tools. A hybrid potential approach, using the Embedded Atom Method (EAM) for the Ti-Ti interactions within the workpiece, the Tersoff potential for the C-C interactions within the tool, and the Morse potential for interactions between the tool and the workpiece, was adopted in the MD model. The simulation results suggest that the cutting mechanism is highly influenced by the tool edge geometry. The sharp tool edge is subjected to greater cutting forces than thrust forces, resulting in shear deformation, whereas the radiused tool experiences higher thrust forces (140 % higher than that of the sharp tool), leading to a ploughing mechanism. Furthermore, it is noticed that the radiused tool produces a lot of complex dislocations (~71% higher), such as Shockley, perfect, stair-rod, and Hirth and Frank dislocations, which glide deeper into the bulk material as compared to the sharp tool, causing higher subsurface damage.