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PUBLICATIONS

DFT investigation of early stages of nanoindentation of Ni

Published

Author(s)

Francesca M. Tavazza, Lyle E. Levine

Abstract

Density functional theory simulations of diamond tips indenting Ni surfaces are used to study the early stages of nanoindentation. Numerous complex interactions are observed, including Ni-surface deformation during tip approach, the attachment and migration of Ni atoms on the indenter surface, Ni-ejection during early nanoindentation, C-C bond breaking, and C atom removal from the tip. The embedding of C atoms within the Ni sample may explain the tip wear problem encountered during frequent reuse of indenter tips. Since the detailed chemical interactions between the Ni and C atoms play a significant role in all of these behaviors, we conclude that quantum-mechanics-based simulations are critical for even a qualitative assessment of these early-stage mechanisms.
Citation
Journal of Physical Chemistry C
Pub Type
Journals

Keywords

DFT, Nanoindentation, Density functional theory, indenter deformation
Materials, Nanomechanics and Nanophysics

Citation

Tavazza, F. and Levine, L. (2016), DFT investigation of early stages of nanoindentation of Ni, Journal of Physical Chemistry C (Accessed October 11, 2025)

Issues

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Created June 23, 2016, Updated March 16, 2017
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