[1]倪自丰,范强,陈国美,等.基于分子动力学的GaN纳米加工中位错演化机制[J].中国材料进展,2025,44(06):552-560.[doi:10.7502/j.issn.1674-3962.202311035]
NI Zifeng,FAN Qiang,CHEN guomei,et al.Dislocation Evolution Mechanism of GaN During Nanofabrication Based on Molecular Dynamics[J].MATERIALS CHINA,2025,44(06):552-560.[doi:10.7502/j.issn.1674-3962.202311035]
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基于分子动力学的GaN纳米加工中位错演化机制(
)
中国材料进展[ISSN:1674-3962/CN:61-1473/TG]
- 卷:
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44
- 期数:
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2025年06
- 页码:
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552-560
- 栏目:
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- 出版日期:
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2025-06-30
文章信息/Info
- Title:
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Dislocation Evolution Mechanism of GaN During Nanofabrication Based on Molecular Dynamics
- 文章编号:
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1674-3962(2025)06-0552-09
- 作者:
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倪自丰; 范强; 陈国美; 刘明; 陈国华; 钱善华; 卞达
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1. 江南大学 机械工程学院, 江苏 无锡 214122
2. 无锡商业职业技术学院 机电技术学院, 江苏 无锡 214153
3. 福州大学机械工程及自动化学院，福建 福州 350108
4. 无锡格锐德半导体科技有限公司, 江苏 无锡 214000
- Author(s):
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NI Zifeng; FAN Qiang; CHEN guomei; LIU ming; CHEN guohua; QIAN shanhua; BIAN da
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1. School of Mechanical Engineering, Jiangnan University, Wuxi 214122, China
2. School of Mechanical and Electrical Engineering, Wuxi Vocational Institute of Commerce , Wuxi 214153, China
et al.
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- 关键词:
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GaN; 分子动力学; 压入; 划入; 位错
- Keywords:
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GaN; molecular dynamics; indentation; scratching; dislocation
- 分类号:
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TQ133.5+1；O73
- DOI:
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10.7502/j.issn.1674-3962.202311035
- 文献标志码:
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A
- 摘要:
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GaN晶体广泛应用于新能源汽车、航空航天和军事等领域，但硬脆性限制了其加工效率。研究精密加工中不同形状压头对材料破坏损伤的影响是实现GaN高效韧性去除的关键。采用分子动力学对GaN晶体Ga面的压入和划入过程进行模拟，分析了球形压头以及不同朝向的Berkovich压头对原子堆积和滑移以及刃位错分布和演变规律的影响。在压入过程中，位错主要分布于压头与材料接触边界的外围；对于球形压头，Ga面上的原子滑移主要沿着<11-20>晶向族的6个方向；对于Berkovich压头，尖锐棱边能有效抑制该方向原子的滑移和位错扩展，当压头一尖锐棱边朝向\[11-20\]晶向时，原子滑移以及位错现象减少，原子滑移和堆积主要出现在垂直于压头3个侧面的方向上。在划入过程中，刃位错主要经历了滑移产生、扩展成型和破坏重组3个过程。球形压头划入后产生的位错最多，Berkovich压头尖角朝前划入后产生的位错适中，且亚表层非晶形变区域均匀，原子堆积少。
- Abstract:
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Gallium nitride (GaN) crystals have gained extensive usage in diverse fields such as new energy vehicles, aerospace and military applications. However, the inherent characteristics of GaN, characterized by its hardness and brittleness, adversely affect its processing efficiency. To overcome this limitation and achieve efficient and robust removal of GaN, it is paramount to investigate the influence of indenter shape on material damage during nanofabrication. Molecular dynamics simulations are employed to simulate indentation and scratching experiments on the Ga surface of GaN. The aim is to analyze the influence of employing both spherical and Berkovich indenters with different orientation to distribution and progression of atomic packing, crystal slip and dislocations throughout the machining process. It turns out that the distribution of edge dislocations is predominantly influenced by the contact interface between the indenter’s periphery and the material during the nanoindentation process. In the case of the spherical indenter, atomic slip predominantly occurs along <11-20> crystallographic direction families. For Berkovich indenter, the sharp edges are effective in suppressing slip and dislocation expansion of atoms in that direction. When the one edge of the indenter face to the [11-20] direction, atomic slip and dislocation phenomena are mitigated, and slip and atomic packing are primarily observed perpendicular to the three edges of the indenter. During the scratching process, edge dislocations undergo three main processes: initial generation, extended formation and destructive reorganization. The spherical indenter produces the most dislocations, whereas the Berkovich indenter has moderate dislocations when the sharp angle is forward, and the subsurface amorphous deformation zones are uniform, with less atomic packing.
备注/Memo
- 备注/Memo:
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收稿日期：2023-11-30修回日期：2023-12-21
第一作者：倪自丰，男，1981年生，副教授，硕士生导师，
Email: nizf@jiangnan.edu.cn
更新日期/Last Update:
2025-05-29