Friction Mechanisms of γ-Al <sub>2</sub> O <sub>3</sub> Under Nanoindentation–Scratch Coupling: A Deep Neural Network Potential Approach

This study constructs and validates a deep neural network potential with quantum-level accuracy for γ-Al2O3, achieving root-mean-square errors of 1.2 meV/atom for energy and 19 meV/Å for force. Based on this potential, nanoindentation-scratch simulations at three indentation depths are performed to investigate the evolution of elasticity, creep, and viscoplasticity. Hertzian fitting yields an elastic modulus of 317.4–322.4 GPa, which closely agrees with experimental measurements. Frictional analysis reveals that the normal force stabilizes into a plateau, while the friction coefficient exhibits a nonlinear increase, governed respectively by the real contact area and the atomic-scale shear strength spectrum. The normalized load Π = Ff/Nc indicates that the mean interfacial shear strength remains nearly constant with depth, whereas the amplitude of its fluctuations increases by a factor of 3. These findings elucidate the synergistic roles of contact area control and shear spectrum broadening in ceramic interfacial friction, providing quantitative guidance for friction reduction strategies that integrate surface texturing and interfacial chemistry, and establishing a computational foundation for large-scale data-driven materials design.

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Publication Details

Journal
The Journal of Physical Chemistry C
Published
2025-10-14
DOI
https://doi.org/10.1021/acs.jpcc.5c04118
Primary Topic
Metal and Thin Film Mechanics
Type
article
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article

Friction Mechanisms of γ-Al 2 O 3 Under Nanoindentation–Scratch Coupling: A Deep Neural Network Potential Approach

Zhenyu Bu, Wei Yan, Xiaoqin Zhao, Lili Dong et al.
The Journal of Physical Chemistry C
Metal and Thin Film Mechanics
article

Friction Mechanisms of γ-Al 2 O 3 Under Nanoindentation–Scratch Coupling: A Deep Neural Network Potential Approach

Zhenyu Bu, Wei Yan, Xiaoqin Zhao, Lili Dong, Huidi Zhou, Yulong An
article en

Abstract

This study constructs and validates a deep neural network potential with quantum-level accuracy for γ-Al2O3, achieving root-mean-square errors of 1.2 meV/atom for energy and 19 meV/Å for force. Based on this potential, nanoindentation-scratch simulations at three indentation depths are performed to investigate the evolution of elasticity, creep, and viscoplasticity. Hertzian fitting yields an elastic modulus of 317.4–322.4 GPa, which closely agrees with experimental measurements. Frictional analysis reveals that the normal force stabilizes into a plateau, while the friction coefficient exhibits a nonlinear increase, governed respectively by the real contact area and the atomic-scale shear strength spectrum. The normalized load Π = Ff/Nc indicates that the mean interfacial shear strength remains nearly constant with depth, whereas the amplitude of its fluctuations increases by a factor of 3. These findings elucidate the synergistic roles of contact area control and shear spectrum broadening in ceramic interfacial friction, providing quantitative guidance for friction reduction strategies that integrate surface texturing and interfacial chemistry, and establishing a computational foundation for large-scale data-driven materials design.

The Journal of Physical Chemistry CVol. 129(43)
Chinese Academy of Sciences (CN), Lanzhou Institute of Chemical Physics (CN), University of Chinese Academy of Sciences (CN), State Key Laboratory of Solid Lubrication
Openalex Percentile: Top 67%
Metal and Thin Film Mechanics
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