| 李啸1， 王全龙1，2，3*， 杨宇1， 邱蓬勃1， 武美萍1，2，3.基于MD模拟的低能FIB辐照金刚石靶材亚表层损伤形成机理研究[J].轻工机械,2024,42(4):25-35 |
| 基于MD模拟的低能FIB辐照金刚石靶材亚表层损伤形成机理研究 |
| Study on Formation Mechanism of Subsurface Damage of Diamond Irradiated by Low Energy FIB Based on MD Simulation |
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| DOI：10.3969/j.issn.1005 2895.2024.04.004 |
| 中文关键词: 金刚石微铣刀 聚焦离子束 分子动力学 亚表层损伤 SRIM软件 |
| 英文关键词:diamond micro milling cutter FIB(focused ion beam) MD(Molecular Dynamics) subsurface damage SRIM |
| 基金项目:国家自然科学基金资助项目（51705202）；江苏省自然科学基金资助项目（BK20170191）；江苏省博士后科研资助计划（2021Z325）。 |
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| 中文摘要: |
| 聚焦离子束(focused Ion beam，FIB)作为一种用于金刚石微铣刀的特种加工方式，其引发的损伤程度直接关联到刀具的加工性能和寿命。课题组采用LAMMPS软件进行分子动力学(Molecular Dynamics，MD)模拟，结合SRIM软件的分析结果，探究单晶金刚石亚表层损伤的形成机理和入射离子能量对损伤深度和范围的影响。模拟结果表明：随着入射离子能量的提升，离子束在材料内的渗透深度及引起的非晶层和点缺陷损伤均有所增加；进一步的研究发现损伤形成过程中材料局部温度的上升可能诱发自退火现象，且与离子入射能量成正比，该现象对于理解聚焦离子束加工引起的损伤有着至关重要的意义；而势能的变化与损伤形成之间的显著对应关系揭示了第一邻近原子的势能明显高于第二邻近原子，进而高于Other类型原子，这一发现有助于深入理解损伤形成的微观过程。因此，精确控制入射能量是实现金刚石材料高精度聚焦离子束加工的关键，且对自退火效应和势能变化的研究对损伤监控与控制同样重要。 |
| 英文摘要: |
| The application of focused ion beam(FIB) technology，as a special machining method used for diamond micro milling cutters，extent of FIB induced damage critically influences the tool’s performance and longevity.The research group used LAMMPS software for molecular dynamics (MD) simulation, combined with the Stopping and Range of Ions in Matter (SRIM) software analysis results, explored the formation mechanism of subsurface damage in single crystal diamond and the influence of incident ion energy on the depth and range of damage.The simulation results shown that as the incident ion energy increases, the penetration depth of the ion beam into the material and the damage to the amorphous layer and point defects caused by it all increase.Further research has found that the increase in local material temperature during the formation of damage may induce self annealing process,which was directly proportional to the ion incident energy,this phenomenon was of crucial significance for understanding the damage caused by focused ion beam processing.The significant correspondence between changes in potential energy and damage formation revealed that the potential energy of the first neighboring atom was significantly higher than that of the second neighboring atom, and thus higher than that of other type atoms.This discovery helps to deepen the understanding of the microscopic process of damage formation.Therefore, the meticulous adjustment of incident ion energy emerges as a pivotal factor for achieving high precision FIB machining of diamond materials,and comprehension of both the self annealing mechanism and potential energy variations is imperative for effective damage monitoring and management. |
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