Tavares, Michel R. P. M.
[VerfasserIn];
Rolón, Daniel A.
[VerfasserIn];
Kober, Julian
[VerfasserIn];
Kühne, Stefan
[VerfasserIn];
Schroeter, Rolf Bertrand
[VerfasserIn];
Oberschmidt, Dirk
[VerfasserIn]
Molecular dynamics simulation of gallium phosphide zincblende cutting mechanism
Beschreibung:
Gallium Phosphide (GaP) has a low machinability, due to high tool wear and the need to induce a High-Pressure Phase Transformation (HPPT). HPPT changes GaP crystallographic structure from zincblende to β-tin. The latter is ductile and metastable, therefore, rather than be experimentally observably, must be simulated using atomistic methods. In this work, Classic Molecular Dynamics Simulations (CMDS) were used to analyse GaP HPPT and tool wear mechanisms during the cutting process. Diamond tools were modelled with 10 nm cutting edge radius, -20º and -10º rake angles, and -10º clearance angle. The simulations revealed that the main shear mechanism involved stacking faults, planar dislocations within the crystal structure, while HPPT had a limited role, being restricted to the deformation zone. A more significant surface crack and tool amorphization were observed for a rake angle -10º.