贾伟飞,梁灿棉,胡锋.高温对含氢DLC涂层的微观结构及力学性能的影响[J].表面技术,2024,53(5):174-183.
JIA Weifei,LIANG Canmian,HU Feng.Effect of High-temperature on Microstructure and Mechanical Properties of Hydrogen-containing DLC Coating[J].Surface Technology,2024,53(5):174-183 |
| 高温对含氢DLC涂层的微观结构及力学性能的影响 |
| Effect of High-temperature on Microstructure and Mechanical Properties of Hydrogen-containing DLC Coating |
| 投稿时间：2023-01-09 修订日期：2023-05-18 |
| DOI：10.16490/j.cnki.issn.1001-3660.2024.05.018 |
| 中文关键词: 含氢DLC涂层 退火处理 微观组织 力学性能 LAMMPS模拟 |
| 英文关键词:hydrogen-containing DLC coating annealing treatment microstructure mechanical properties LAMMPS simulation |
| 基金项目:中国博士后科学基金(2021M700875) |
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| Author | Institution |
| JIA Weifei | Collaborative Innovation Center for Advanced Steels, Wuhan University of Science and Technology, Wuhan 430081, China |
| LIANG Canmian | Guangdong Xinglian Precision Machinery Co., Ltd., Guangdong Foshan 528251, China |
| HU Feng | Collaborative Innovation Center for Advanced Steels, Wuhan University of Science and Technology, Wuhan 430081, China;Guangdong Xinglian Precision Machinery Co., Ltd., Guangdong Foshan 528251, China |
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| 中文摘要: |
| 目的 针对含氢DLC涂层热稳定性很差的问题，探究高温下含氢DLC涂层的微观组织变化特征，以及高温对其力学性能的影响。方法 采用等离子体强化化学气相沉积(Plasma Enhanced Chemical Vapor Deposition, PECVD)在S136模具不锈钢表面沉积以Si为过渡层的含氢DLC复合涂层，利用光学显微镜、扫描电镜、拉曼光谱、X射线电子衍射仪、三维轮廓仪研究DLC涂层的微观结构，采用划痕测试仪、往复式摩擦磨损试验机、纳米压痕仪研究DLC涂层的力学性能，并通过LAMMPS软件，利用液相淬火法建立含氢DLC模型，模拟分析经高温处理后涂层的组织变化特征和纳米压痕行为。结果 在400 ℃、2 h的退火条件下，拉曼谱峰强度ID/IG由未退火的0.7增至1.5，涂层发生了石墨化转变，同时基线斜率下降，H元素析出;XPS结果表明，在此条件下涂层中sp2杂化组织相对增加，氧元素增多，涂层粗糙度增大;在600 ℃、2 h退火条件下，DLC发生了严重氧化，LAMMPS模拟结果表明，在400 ℃高温下涂层的分子键长变短，表明sp3杂化组织在高温下吸收能量，并向sp2杂化转变。纳米压痕模拟结果显示，在400 ℃下退火后，涂层的硬度下降。结论 在400 ℃下退火处理后，涂层中的H元素释放，涂层内应力减小，保证了涂层的强度;在600 ℃退火条件下，过渡层的Si和DLC在高温下形成了C—Si键，使得DLC薄膜部分被保留;LAMMPS模拟结果表明，在高温下涂层发生了石墨化转变，涂层的硬度减小。 |
| 英文摘要: |
| The thermal stability of hydrogen-containing DLC coating is poor, and the work aims to explore the microstructure changes of hydrogen-containing DLC coating at high temperature and their impact on mechanical properties. The hydrogen-containing DLC composite coating with Si as the transitional layer was deposited on the surface of S136 stainless steel by plasma enhanced chemical vapor deposition (PECVD). The microstructure of DLC coating was investigated by optical/scanning electron microscopy, Raman spectroscopy, XPS (X-ray photoelectron spectroscopy) and three-dimensional profiler, the mechanical properties of DLC coating were studied by scratch, reciprocating friction wear and nano-indentation experiment, and the nano-indentation experiment behavior of DLC coating was simulated by LAMMPS to analyze the microstructure characteristics in annealing. The coating was subject to annealing conditions of 400 ℃ for 2 hours and 600 ℃ for 2 hours. Under the former condition, Raman spectroscopy showed an increase in the intensity ratio of the ID/IG peaks from 0.7 to 1.5, indicating graphitization transition, accompanied by a decrease in baseline slope and H element segregation. XPS analysis revealed an increase in sp2 hybridization and oxygen content in the coating under this condition, as well as an increase in surface roughness. At 600 ℃, severe oxidation of the DLC coating was observed. Under that condition, the matrix stainless steel was also oxidized. Molecular dynamics simulations using LAMMPS suggested a decrease in molecular bond length at 400 ℃ high temperature. The three-dimensional profile test showed that the roughness under the unannealed condition was mainly from the large particles produced during deposition. At 400 ℃ for 2 h, the coating had the minimum surface roughness. At this time, some large particles in the coating structure fell off, and the coating was basically completely damaged at 600 ℃ for 2 h. The roughness was mainly from the original stainless steel roughness. The scratch test showed that under the condition of 400 ℃ for 2 h, due to the release of the internal stress of the coating and the tighter bonding of the transition layer, the coating had the best bonding effect with the substrate and was the least likely to fall off. The statistical results of LAMMPS simulation showed that the chemical bonds of the original DLC model tended to become shorter after annealing at high temperature. Relative to the unannealed DLC coating, the mechanical properties of DLC coating were best under 400 ℃ for 2 h. Under this condition, the precipitation of mixed H elements in the coating led to the transformation of the original C—H sp3 structure, which occupied a large space to the smaller C—C sp3 and C—C sp2 structure, releasing internal stress in the coating, while ensuring the strength. The nano-indentation experiments showed that the elastic recovery and hardness of the coating were the highest at 400 ℃ for 2 h, compared with that at other annealing temperature. The structure of the DLC coating containing hydrogen changed due to the precipitation of H element at 400 ℃. On the one hand, the coating structure changed from sp3 to sp2 due to high temperature, and on the other hand, the precipitation of H element changed the original C—H sp3 to C—C sp3, reducing the internal stress of the coating and improving the mechanical properties. The coating is basically damaged at 600 ℃ for 2 h, but the substrate still retains part of the coating. This is because the transition layer Si reacts with the coating to improve the heat resistance of the remaining coating. Molecular dynamics simulations using LAMMPS showed that the coating undergoes a graphitization transition at high temperature, leading to a reduction in its hardness. |
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