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<p>Most molecular dynamics studies of silicon wafer grinding employ single-grain models, which simplify the grinding process but cannot capture the interaction between adjacent abrasive grains. In this work, a dual-grain molecular dynamics model of monocrystalline silicon grinding was established to investigate the influence of two abrasive superposition patterns—side-by-side and in-line—on surface morphology, subsurface damage, and residual stress. The results show that the abrasive grain gap strongly governs the ground surface morphology. In side-by-side grinding, a grain gap smaller than 60&#xa0;Å causes overlapping grinding grooves and irregular morphology, whereas a gap larger than 80&#xa0;Å produces a regular periodic peak–valley structure. In in-line grinding, a zero grain gap suppresses surface elastic recovery and promotes surface finishing. These morphological variations lead to spatially non-uniform subsurface damage, with deeper damage at valley bottoms than at peaks. Moreover, when the secondary grinding depth is approximately half of the existing damage layer thickness, the original subsurface damage can be removed with minimal introduction of new damage. The residual stress field spatially corresponds to the damage distribution, indicating that residual stress acts as the mechanical driving factor for damage initiation and propagation. These findings clarify the role of abrasive grain interaction in silicon grinding and provide guidance for optimizing abrasive arrangement and grinding parameters.</p>

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Correlation Analysis of Surface Morphology, Residual Stress, and Subsurface Damage in Dual-Grain Grinding of Silicon Wafers Based on Molecular Dynamics

  • 期刊论文

  • 发表日期：

    2026年6月29日

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  • Haijun Liu,
  • Jun Wang,
  • Qilong Zhang,
  • Shan Chen,
  • Daoyang Yu,
  • Zhi Ding

摘要

Most molecular dynamics studies of silicon wafer grinding employ single-grain models, which simplify the grinding process but cannot capture the interaction between adjacent abrasive grains. In this work, a dual-grain molecular dynamics model of monocrystalline silicon grinding was established to investigate the influence of two abrasive superposition patterns—side-by-side and in-line—on surface morphology, subsurface damage, and residual stress. The results show that the abrasive grain gap strongly governs the ground surface morphology. In side-by-side grinding, a grain gap smaller than 60 Å causes overlapping grinding grooves and irregular morphology, whereas a gap larger than 80 Å produces a regular periodic peak–valley structure. In in-line grinding, a zero grain gap suppresses surface elastic recovery and promotes surface finishing. These morphological variations lead to spatially non-uniform subsurface damage, with deeper damage at valley bottoms than at peaks. Moreover, when the secondary grinding depth is approximately half of the existing damage layer thickness, the original subsurface damage can be removed with minimal introduction of new damage. The residual stress field spatially corresponds to the damage distribution, indicating that residual stress acts as the mechanical driving factor for damage initiation and propagation. These findings clarify the role of abrasive grain interaction in silicon grinding and provide guidance for optimizing abrasive arrangement and grinding parameters.