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Atomistic Investigation of Probe-Based Nanomachining on Cu Twin Boundaries

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The interaction of dislocations with grain boundaries can significantly alter mechanical response of nanocrystalline materials under applied load. In current work, we investigate deformation behavior of Cu twin boundaries under probe-based nanomachining by means of molecular dynamics simulations. Our simulation results suggest that twin boundaries can lower the critical stress required for initial dislocation nucleation, meanwhile act as strong barriers to subsequent dislocation motion. Different kinds of dislocation-twin boundary interaction, such as confinement, adsorption and transmission accompanied with twin boundary migration, are observed during nanomachining process. It is found the significant work-hardening caused by twin boundaries blocking dislocation motions leads to higher scratching resistance of Cu sample with twin boundaries than single crystal case. Subsequent evaluation reveals the twin boundary spacing dependence of dislocation-twin boundary interaction during nanomachining: the smaller the twin boundary spacing, the larger the strength, and the higher the scratching resistance. It is indicated dislocation transmission through twin boundary is more easily occurred in Cu sample with smaller twin boundary spacing.
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Keywords: DISLOCATION; MOLECULAR DYNAMICS; NANOMACHINING; TWIN BOUNDARY

Document Type: Research Article

Publication date: November 1, 2011

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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