Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon
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...
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MDPI AG
2018-12-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/8/12/463 |
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doaj-d0b1d510d1704705a522982d975d958e2020-11-25T02:28:19ZengMDPI AGCrystals2073-43522018-12-0181246310.3390/cryst8120463cryst8120463Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline SiliconPengzhe Zhu0Rui Li1Hanyu Gong2School of Mechanical, Electronic and Control Engineering, Beijing Jiaotong University, Beijing 100044, ChinaSchool of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaSchool of Material Science and Engineering, Tsinghua University, Beijing 100084, ChinaIn 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.https://www.mdpi.com/2073-4352/8/12/463molecular dynamicsnanoscale wearpolycrystalline silicon |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Pengzhe Zhu Rui Li Hanyu Gong |
| spellingShingle |
Pengzhe Zhu Rui Li Hanyu Gong Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon Crystals molecular dynamics nanoscale wear polycrystalline silicon |
| author_facet |
Pengzhe Zhu Rui Li Hanyu Gong |
| author_sort |
Pengzhe Zhu |
| title |
Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon |
| title_short |
Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon |
| title_full |
Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon |
| title_fullStr |
Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon |
| title_full_unstemmed |
Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon |
| title_sort |
molecular dynamics simulation of nanoscale abrasive wear of polycrystalline silicon |
| publisher |
MDPI AG |
| series |
Crystals |
| issn |
2073-4352 |
| publishDate |
2018-12-01 |
| description |
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. |
| topic |
molecular dynamics nanoscale wear polycrystalline silicon |
| url |
https://www.mdpi.com/2073-4352/8/12/463 |
| work_keys_str_mv |
AT pengzhezhu moleculardynamicssimulationofnanoscaleabrasivewearofpolycrystallinesilicon AT ruili moleculardynamicssimulationofnanoscaleabrasivewearofpolycrystallinesilicon AT hanyugong moleculardynamicssimulationofnanoscaleabrasivewearofpolycrystallinesilicon |
| _version_ |
1724838894265958400 |