基于分子动力学的不同磨削速度对氮化铝材料去除亚表面损伤机理

Mechanism of subsurface damage removal in aluminum nitride materials at different grinding speeds based on molecular dynamics

  • 摘要: 单晶氮化铝(AlN)作为第三代宽禁带半导体材料,凭借其卓越的物理化学性能,已在电力电子和光敏传感等领域得到了广泛应用。然而,由于其固有的硬脆特性,在纳米磨削过程中常常面临材料去除率低和机械损伤严重等问题。为探讨不同磨削速度下单晶氮化铝的材料去除机制,开展了对不同速度下金刚石磨削单晶氮化铝的分子动力学仿真,旨在从原子层面分析磨削速度对纳米/亚纳米级材料去除过程的影响。仿真结果表明,随着磨削速度从50 m/s 增加至300 m/s,单晶氮化铝的亚表面损伤层的整体厚度显著降低,磨削后表面残余应力亦相应减小。此外,磨削过程中,位错及其衍生出的层错成为亚表面损伤的主要表现形式;提高磨削速度能够有效抑制这些缺陷的增长速率,从而保障磨削后亚表面结构的完整性。这些研究结果为实现低损伤的氮化铝工件的超精密磨削提供了理论指导。

     

    Abstract: As a third-generation wide-bandgap semiconductor material, single-crystal aluminum nitride has found extensive applications in power electronics and photosensitive sensing due to its outstanding physicochemical properties. However, due to its inherent brittle and hard properties, nano-grinding processes often encounter issues such as low material removal rates and severe mechanical damage. To investigate the material removal mechanisms of single-crystal aluminum nitride at different grinding speeds, molecular dynamics simulations of diamond grinding on single-crystal aluminum nitride at varying speeds are conducted. The aim was to analyze, at the atomic level, the influence of grinding speed on the nano-/sub-nanometer-scale material removal process. Simulation results indicate that as the grinding speed increases from 50 m/s to 300 m/s, the overall thickness of the subsurface damage layer in single-crystal aluminum nitride decreases significantly, and the residual stress on the surface after grinding also decreases accordingly. Additionally, during the grinding process, dislocations and their derived stacking faults emerge as the primary manifestations of subsurface damage. Increasing the grinding speed effectively suppresses the growth rate of these defects, thereby ensuring the integrity of the subsurface structure post-grinding. These findings provide theoretical guidance for achieving low-damage ultra-precision grinding of aluminum nitride workpieces.

     

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