Title: Molecular dynamics investigation of incipient plasticity during nanomachining of Cu (111) surface

Authors: Junjie Zhang; Tao Sun; Yongda Yan; Yingchun Liang; Shen Dong

Addresses: Center for Precision Engineering, Harbin Institute of Technology, P.O. Box 413, Heilongjiang, 150001, Harbin, China. ' Center for Precision Engineering, Harbin Institute of Technology, P.O. Box 413, Heilongjiang, 150001, Harbin, China. ' Center for Precision Engineering, Harbin Institute of Technology, P.O. Box 413, Heilongjiang, 150001, Harbin, China. ' Center for Precision Engineering, Harbin Institute of Technology, P.O. Box 413, Heilongjiang, 150001, Harbin, China. ' Center for Precision Engineering, Harbin Institute of Technology, P.O. Box 413, Heilongjiang, 150001, Harbin, China

Abstract: Large-scale molecular dynamics (MD) simulation of the probe-based mechanical nanomachining is performed to explore the dislocation activities governed incipient plasticity in single crystalline Cu (111) surface with a spherical probe. The atomic interactions between approximate 6 million Cu atoms are described by EAM potential. Simulation results show that in indentation process emergence of plastic deformation is accompanied with force drop phenomena caused by initial dislocation nucleation, and surface pile up pattern is dominantly determined by geometry of slip planes activated. It is indicated that the dislocation activity is the dominant deformation mechanisms in nanomachining of single crystal Cu. Three serial phases of dislocation motions during the following scratching process are observed. Furthermore, there are more kinds of defects generated in scratching process than in indentation process.

Keywords: nanomachining; single crystal copper; incipient plasticity; molecular dynamics; nanotechnology; simulation; plastic deformation; dislocation; scratching; indentation.

DOI: 10.1504/IJNM.2011.043682

International Journal of Nanomanufacturing, 2011 Vol.7 No.5/6, pp.559 - 566

Available online: 11 Nov 2011 *

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