The role of crystal orientation in atomic-scale material removal mechanisms in single crystal aluminum nitride

IF 6.1 1区工程技术 Q1 ENGINEERING, MANUFACTURING

Journal of Manufacturing Processes Pub Date : 2025-04-10 DOI:10.1016/j.jmapro.2025.04.003

Yongqiang Wang , Jian Guo , Zhihang Hu , Yunpeng Wang , Yueqin Wu , Han Huang

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Abstract

This study investigates the crystal plane-dependent material removal mechanisms in single crystal aluminum nitride (AlN) using molecular dynamics (MD) simulation. The results reveal that the deformation and removal behaviors in AIN vary significantly with crystal orientation and scratch depth, as evidenced by analyses of scratch force, contact area, and pressure. Material removal, dominated by plastic deformation, is highly dependent on crystal orientation. Critical scratch depths for atomic removal initiation were identified as 4 Å on the a-plane, 6 Å on the m-plane, and 12 Å on the c-plane. The minimum removal depths corresponded to a monolayer of atoms for the a-plane (1.6 Å) and bilayers for the m-plane (5.4 Å) and c-plane (5.1 Å). The simulation demonstrated that tangential forces play a dominant role in material removal within the plastic regime. A removal model that incorporates the influence of crystal plane was developed to predict the elastic-plastic transition. This model was validated across multiple scales. The findings emphasize the critical influence of crystal plane on the thresholds and mechanisms of material removal, providing valuable insights for advancing ultra-precision machining of single crystal AlN.

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晶体取向在单晶氮化铝原子尺度材料去除机制中的作用

采用分子动力学方法研究了单晶氮化铝（AlN）中与晶面相关的材料去除机理。结果表明，晶粒取向和划痕深度对AIN中的变形和去除行为有显著影响，这与划痕力、接触面积和压力的分析结果一致。以塑性变形为主的材料去除高度依赖于晶体取向。原子去除起始的临界划痕深度在a面为4 Å，在m面为6 Å，在c面为12 Å。最小去除深度对应于a面（1.6 Å）的单层原子，m面（5.4 Å）和c面（5.1 Å）的双层原子。模拟结果表明，切向力在塑性条件下对材料的去除起主导作用。建立了考虑晶面影响的去除模型来预测弹塑性转变。该模型在多个尺度上得到了验证。研究结果强调了晶面对材料去除阈值和机制的重要影响，为推进单晶AlN的超精密加工提供了有价值的见解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Manufacturing Processes ENGINEERING, MANUFACTURING-

CiteScore

10.20

自引率

11.30%

发文量

833

审稿时长

50 days

期刊介绍： The aim of the Journal of Manufacturing Processes (JMP) is to exchange current and future directions of manufacturing processes research, development and implementation, and to publish archival scholarly literature with a view to advancing state-of-the-art manufacturing processes and encouraging innovation for developing new and efficient processes. The journal will also publish from other research communities for rapid communication of innovative new concepts. Special-topic issues on emerging technologies and invited papers will also be published.