Title: Molecular dynamics simulation of linearly varying cutting depth of single point diamond turning on Cu (111)

Authors: Lin Zhang; Hongwei Zhao; Zhichao Ma; Hu Huang

Addresses: College of Mechanical Science and Engineering, Jilin University, Changchun 130025, China ' College of Mechanical Science and Engineering, Jilin University, Changchun 130025, China ' College of Mechanical Science and Engineering, Jilin University, Changchun 130025, China ' College of Mechanical Science and Engineering, Jilin University, Changchun 130025, China

Abstract: A series of three-dimensional molecular dynamics (MD) simulations are performed with hybrid potentials to investigate defect mechanism and damage in the substrate of nanometric cutting process of single crystal copper using diamond tool. The nanometric cutting process is conducted on the Cu (111) surface with a diamond tool which is regarded as rigid body. Based on the visualisation technique of atomic coordination number in the specimen, dislocation loops and vacancies are identified as the two major defect types prevailing in the nanometric cutting process. Their structures and movements are monitored for such behaviours release the mechanism of material removal. It is shown that the shape of the tool directly influences the facet formation on the groove which is important in assessing the change of surface material properties after machining. Even though machining on the same plane, the behaviours of defects inside of the material distinguish from each other in different cutting directions.

Keywords: single point diamond turning; SPDT; molecular dynamics; single crystal copper; atomic coordination number; dislocation loops; dislocation vacancies; simulation; nanomanufacturing; nanotechnology; visualisation; defect identification; nanomachining defects.

DOI: 10.1504/IJNM.2014.062975

International Journal of Nanomanufacturing, 2014 Vol.10 No.4, pp.343 - 357

Received: 08 Nov 2012
Accepted: 04 Mar 2013
Published online: 24 Jul 2014 *

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