Title: Diffusion mechanism of cutting Ni-based alloy with carbide tool based on molecular dynamics simulation

Authors: ZhaoPeng Hao; Gang Cheng; YiHang Fan; He Lan

Addresses: School of Mechatronic Engineering, ChangChun University of Technology, ChangChun, 130012, China ' School of Mechatronic Engineering, ChangChun University of Technology, ChangChun, 130012, China; College of Humanities Information, Changchun University of Technology, ChangChun, 130122, China ' School of Mechatronic Engineering, ChangChun University of Technology, ChangChun, 130012, China ' School of Mechatronic Engineering, ChangChun University of Technology, ChangChun, 130012, China

Abstract: Nickel-based alloy Inconel 718 is difficult-to-cut and diffused seriously in cutting process. Its structure contains many complex atoms, such as Ni, Fe, Cr, etc. It is of great significance to study its diffusion wear mechanism under micro conditions. In this paper, a molecular dynamics model based on Ni, Fe and Cr is established. Through Ovito visualisation, the phenomenon of atomic displacement is found in cutting, and the mean square displacement (MSD) is used to solve the diffusion coefficient, the pre exponential factor and the transfer energy of atoms. MD method is used to make vacancy. The gap formation energy of WC Co tool and workpiece at grain boundary and lattice, and the diffusion activation energy barrier were calculated. The diffusion mechanism of Ni, Fe and Cr atoms is revealed by comparing with the experimental phenomena.

Keywords: Ni-based alloy; cemented carbide tool; cutting process; diffusion wear mechanism; diffusion activation energy.

DOI: 10.1504/IJSURFSE.2025.147554

International Journal of Surface Science and Engineering, 2025 Vol.19 No.2, pp.97 - 124

Received: 07 Dec 2021
Accepted: 24 Jan 2022
Published online: 21 Jul 2025 *

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