Abstract
To investigate the effect of drilling speed on the molecular dynamics and subsurface defect evolution mechanism of 3C-SiC single crystals, a coupled molecular dynamic model for drilling is established. A multi-scale molecular dynamic potential energy function is established by combining the variational potential energy between C–Si bonds, based on this, the mechanical response coupling model is developed. By analyzing factors such as molecular dynamics temperature and periodic boundaries, a molecular dynamic differential ensemble environment drilling is constructed to achieve a constant temperature and pressure simulation environment for the evolution of sub-surface defects in single crystal 3C-SiC molecular dynamics. At drilling velocities of 30 m/s, 60 m/s, and 90 m/s, dislocation exchange occurs that the load stability is affected. When the drilling reaches a certain depth, the load tends to be constant, with values of 5.22 × 104 eV/Å, 3.36 × 104 eV/Å, and 0.58 × 104 eV/Å. Load changes during differential drilling impact single crystal 3C-SiC irreversibly. By comparing and analyzing the simulation results at different drilling speeds, it offers ideas for understanding the material response of single crystal 3C-SiC during high-speed machining from the point of view of dislocation energy changes.
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The datasets generated during and/or analyzed during the current study are available from the corresponding author on reasonable request.
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Acknowledgements
This study is sponsored by the projects found by Science and Technology Research Project of Jiangxi Provincial Department of Education under Grants No. GJJ2201023, Science and Technology Research Project of Jiangxi Provincial Department of Education under Grants No. GJJ2201055, Science and Technology Research Project of Jiangxi Provincial Department of Education under Grants No. GJJ2201056, National Natural Science Foundation of China under Grants No. 51964022 to which the authors are very grateful. The authors also sincerely thank the editor and the anonymous reviewers for their valuable and useful comments to improve our manuscript.
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Dongling Yu was main contributor, selecting topics for the paper and guiding and revising the paper. Haican Shen was main contributor, writing papers, simulating experiments and analysis. Jian Liu was main contributor, writing a small portion of the paper and building an experimental platform. Jiao Li Jointly builds an experimental platform. Qi Zheng collaborates molecular simulations. Nanxing Wu submits papers and makes subsequent revisions.
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Yu, D., Shen, H., Liu, J. et al. The influence of drilling speed on the evolution mechanism of subsurface defects in single crystal 3C-SiC in molecular dynamics. J Mater Sci 59, 12555–12568 (2024). https://doi.org/10.1007/s10853-024-09947-0
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DOI: https://doi.org/10.1007/s10853-024-09947-0