Comparative Molecular Dynamics Study of Graphitization Mechanisms in Nanosecond Laser Irradiation of Single-Crystal and Nanocrystalline Diamond
The mechanisms of material removal and structural transformation under laser radiation differ significantly between single-crystal diamond (SCD) and nanocrystalline diamond (NCD). This study employs atomic simulations to investigate the material removal mechanisms and structural transformation behav...
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| Format: | Article |
| Language: | English |
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MDPI AG
2025-04-01
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| Series: | Optics |
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| Online Access: | https://www.mdpi.com/2673-3269/6/2/16 |
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| author | Huixin Yuan Liang Zhao Weimian Guan Yuqi Yang Junjie Zhang |
| author_facet | Huixin Yuan Liang Zhao Weimian Guan Yuqi Yang Junjie Zhang |
| author_sort | Huixin Yuan |
| collection | DOAJ |
| description | The mechanisms of material removal and structural transformation under laser radiation differ significantly between single-crystal diamond (SCD) and nanocrystalline diamond (NCD). This study employs atomic simulations to investigate the material removal mechanisms and structural transformation behaviors of SCD and NCD when subjected to laser irradiation. We analyze the effects of temperature and stress changes induced by laser radiation on structural transformations, revealing the driving mechanism behind graphitization transitions. Specifically, the thermal–mechanical coupling effect induced by lasers leads to graphitization in SCD, while in NCD, due to the stress concentration effects at the grain boundaries, graphitization preferentially occurs at these boundaries. The material removal processes for both SCD and NCD are attributed to thermal stress concentrations in the regions where the laser interacts with the diamond surface. This investigation provides a theoretical foundation for a more profound understanding of the behavior of diamond materials during laser irradiation. |
| format | Article |
| id | doaj-art-0ac56919db694425aa924cd21cd44f50 |
| institution | DOAJ |
| issn | 2673-3269 |
| language | English |
| publishDate | 2025-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Optics |
| spelling | doaj-art-0ac56919db694425aa924cd21cd44f502025-08-20T03:16:35ZengMDPI AGOptics2673-32692025-04-01621610.3390/opt6020016Comparative Molecular Dynamics Study of Graphitization Mechanisms in Nanosecond Laser Irradiation of Single-Crystal and Nanocrystalline DiamondHuixin Yuan0Liang Zhao1Weimian Guan2Yuqi Yang3Junjie Zhang4Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001, ChinaShenyang Aircraft Industry (Group) Co., Ltd., Shenyang 110850, ChinaShenyang Aircraft Industry (Group) Co., Ltd., Shenyang 110850, ChinaShenyang Aircraft Industry (Group) Co., Ltd., Shenyang 110850, ChinaCenter for Precision Engineering, Harbin Institute of Technology, Harbin 150001, ChinaThe mechanisms of material removal and structural transformation under laser radiation differ significantly between single-crystal diamond (SCD) and nanocrystalline diamond (NCD). This study employs atomic simulations to investigate the material removal mechanisms and structural transformation behaviors of SCD and NCD when subjected to laser irradiation. We analyze the effects of temperature and stress changes induced by laser radiation on structural transformations, revealing the driving mechanism behind graphitization transitions. Specifically, the thermal–mechanical coupling effect induced by lasers leads to graphitization in SCD, while in NCD, due to the stress concentration effects at the grain boundaries, graphitization preferentially occurs at these boundaries. The material removal processes for both SCD and NCD are attributed to thermal stress concentrations in the regions where the laser interacts with the diamond surface. This investigation provides a theoretical foundation for a more profound understanding of the behavior of diamond materials during laser irradiation.https://www.mdpi.com/2673-3269/6/2/16single-crystal diamondnanocrystalline diamondgraphitizationnanosecond pulsed laser |
| spellingShingle | Huixin Yuan Liang Zhao Weimian Guan Yuqi Yang Junjie Zhang Comparative Molecular Dynamics Study of Graphitization Mechanisms in Nanosecond Laser Irradiation of Single-Crystal and Nanocrystalline Diamond Optics single-crystal diamond nanocrystalline diamond graphitization nanosecond pulsed laser |
| title | Comparative Molecular Dynamics Study of Graphitization Mechanisms in Nanosecond Laser Irradiation of Single-Crystal and Nanocrystalline Diamond |
| title_full | Comparative Molecular Dynamics Study of Graphitization Mechanisms in Nanosecond Laser Irradiation of Single-Crystal and Nanocrystalline Diamond |
| title_fullStr | Comparative Molecular Dynamics Study of Graphitization Mechanisms in Nanosecond Laser Irradiation of Single-Crystal and Nanocrystalline Diamond |
| title_full_unstemmed | Comparative Molecular Dynamics Study of Graphitization Mechanisms in Nanosecond Laser Irradiation of Single-Crystal and Nanocrystalline Diamond |
| title_short | Comparative Molecular Dynamics Study of Graphitization Mechanisms in Nanosecond Laser Irradiation of Single-Crystal and Nanocrystalline Diamond |
| title_sort | comparative molecular dynamics study of graphitization mechanisms in nanosecond laser irradiation of single crystal and nanocrystalline diamond |
| topic | single-crystal diamond nanocrystalline diamond graphitization nanosecond pulsed laser |
| url | https://www.mdpi.com/2673-3269/6/2/16 |
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