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Crystals 2018, 8(12), 463; https://doi.org/10.3390/cryst8120463

Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon

1,* , 2
and
3
1
School of Mechanical, Electronic and Control Engineering, Beijing Jiaotong University, Beijing 100044, China
2
School of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, China
3
School of Material Science and Engineering, Tsinghua University, Beijing 100084, China
*
Author to whom correspondence should be addressed.
Received: 11 August 2018 / Revised: 28 November 2018 / Accepted: 9 December 2018 / Published: 12 December 2018
(This article belongs to the Section Crystalline Materials)
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Abstract

In this work, molecular dynamics simulations of the nanoscratching of polycrystalline and singlecrystalline silicon substrates using a single-crystal diamond tool are conducted to investigate the grain size effect on the nanoscale wear process of polycrystalline silicon. We find that for a constant indentation depth, both the average normal force and friction force are much larger for single-crystalline silicon compared to polycrystalline silicon. It is also found that, for the polycrystalline substrates, both the average normal force and friction force increase with increasing grain size. However, the friction coefficient decreases with increasing grain size, and is the smallest for single-crystalline silicon. We also find that the quantity of wear atoms increases nonlinearly with the average normal load, inconsistent with Archard’s law. The quantity of wear atoms is smaller for polycrystalline substrates with a larger average grain size. The grain size effect in the nanoscale wear can be attributed to the fact that grain boundaries contribute to the plastic deformation of polycrystalline silicon. View Full-Text
Keywords: molecular dynamics; nanoscale wear; polycrystalline silicon molecular dynamics; nanoscale wear; polycrystalline silicon
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Zhu, P.; Li, R.; Gong, H. Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon. Crystals 2018, 8, 463.

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