孙志平,郭红星,唐昌伟,何光宇,李玉琴,陈永刚.TC4表面TiN/Ti涂层的热腐蚀行为研究及第一性原理计算[J].表面技术,2024,53(10):156-166.
SUN Zhiping,GUO Hongxing,TANG Changwei,HE Guangyu,LI Yuqin,CHEN Yonggang.Hot Corrosion Behavior and Its First Principle Calculation of TiN/Ti Coating on TC4 Substrate[J].Surface Technology,2024,53(10):156-166
TC4表面TiN/Ti涂层的热腐蚀行为研究及第一性原理计算
Hot Corrosion Behavior and Its First Principle Calculation of TiN/Ti Coating on TC4 Substrate
投稿时间:2024-01-18  修订日期:2024-03-18
DOI:10.16490/j.cnki.issn.1001-3660.2024.10.012
中文关键词:  氮化钛涂层  热腐蚀行为  冲蚀  第一性原理  电荷转移
英文关键词:TiN coating  hot corrosion behavior  erosion  first principle  charge transfer
基金项目:陕西省重点研发计划(2023-YBGY-435)
作者单位
孙志平 长安大学 材料科学与工程学院,西安 710064 
郭红星 长安大学 材料科学与工程学院,西安 710064 
唐昌伟 长安大学 材料科学与工程学院,西安 710064 
何光宇 空军工程大学 等离子体动力学重点实验室,西安 710038 
李玉琴 空军工程大学 等离子体动力学重点实验室,西安 710038 
陈永刚 大连理工大学 超级计算中心,辽宁 大连 116024 
AuthorInstitution
SUN Zhiping School of Materials Science and Engineering, Chang'an University, Xi'an 710064, China 
GUO Hongxing School of Materials Science and Engineering, Chang'an University, Xi'an 710064, China 
TANG Changwei School of Materials Science and Engineering, Chang'an University, Xi'an 710064, China 
HE Guangyu Science and Technology on Plasma Dynamics Laboratory, Air Force Engineering University, Xi'an 710038, China 
LI Yuqin Science and Technology on Plasma Dynamics Laboratory, Air Force Engineering University, Xi'an 710038, China 
CHEN Yonggang Supercomputing Center, Dalian University of Technology, Liaoning Dalian 116024, China 
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中文摘要:
      目的 综合评估涂层性能、延长压气机叶片的使用寿命,进行TiN/Ti涂层及冲蚀后TiN/Ti涂层的热腐蚀行为机制研究。方法 进行了完整TiN/Ti涂层及冲蚀后TiN/Ti涂层300 ℃/120 h的热腐蚀实验,腐蚀介质为95%(质量分数)Na2SO4+5%(质量分数)NaCl。冲蚀实验采用形状不规则的SiO2颗粒,冲蚀角为45°,冲蚀速度为130 m/s,供砂速率为6.4 g/min。建立了完整TiN涂层、表面具有孔洞的TiN涂层及表面具有Ti液滴的TiN涂层3种第一性原理腐蚀计算模型。结果 TiN/Ti涂层热腐蚀后,液滴处发生氧化并且变得疏松;样品切割边缘产生腐蚀锈迹,最终出现鼓包和裂纹;冲蚀后,涂层表面的完整性受到破坏,相较于未冲蚀区域,冲蚀坑周围更容易出现腐蚀。在热腐蚀过程中,SO42−中的O和完整TiN涂层中的Ti以及液滴中的Ti电子云团接触,存在电荷转移及成键倾向,具体为Ti失电子、O得电子,腐蚀主要发生在SO42−中的O与Ti之间。结论 第一性原理计算结果与热腐蚀的实验结果相一致,第一性原理计算结果可以从微观上反映液滴和孔洞等缺陷对涂层热腐蚀行为的影响,能够为分析涂层的热腐蚀机制提供理论依据。
英文摘要:
      When helicopters take off and land in the desert areas, the compressor blades of titanium alloys are impacted by sand particles. TiN/Ti coating is used for the protection of compressor blades against erosion due to its excellent performance. During service of the aircraft, chloride ions in humid coastal environment, S in the industrial atmosphere and impurities generated from fuel combustion could cause hot corrosion to the compressor blades and affect the comprehensive performance of the compressor. Currently, there are relatively abundant researches on the erosion resistance of TiN/Ti coating, but the research of hot corrosion behavior of TiN/Ti coating is limited. The study on the coupled behavior of hot corrosion and erosion is an important basis for the overall evolution of TiN/Ti coating. In this work, the TiN/Ti coating was prepared on Ti6Al4V (TC4) titanium alloy substrate by Metal Vapor Vacuum Arc (MEVVA) and Filtered Cathodic Vacuum Arc (FCVA) process, and the hot corrosion experiment of intact TiN/Ti coating and eroded TiN/Ti coating were carried out at 300 ℃/120 h. The corrosion medium was 95%Na2SO4+5%NaCl. The erosion experiment was carried out with irregularly shaped SiO2 particles. The erosion angle was 45°, the erosion speed was 130 m/s, and the sand supply rate was 6.4 g/min. The hot corrosive microstructures of the intact TiN/Ti coating and eroded TiN/Ti coating were analyzed by Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS). After the hot corrosion of TiN/Ti coating, the droplets were oxidized and corroded to be loose, and the morphology of the intact area of the TiN/Ti coating remained almost unchanged. The corrosion rust was produced at the cutting edge of the TiN/Ti coating, and the columnar structure of the TiN/Ti coating of the corrosion rust area was blurred, and granular corrosion products and irregular corrosion pits gradually appeared, eventually leading to bulging and cracking. After erosion, the erosion pits on the surface of the TiN/Ti coating destroyed the integrity of the coating, the erosion intensified the tendency of corrosion, the coating around the erosion pits was more prone to corrosion than that of non-erosion area and the corrosion products were mainly oxides containing Ti element. In addition, the hot corrosion behavior of TiN coating was calculated based on the first principle. Three first principle corrosion calculation models were established, such as intact TiN coating, TiN coating with pores and Ti droplets on the surface. Among them, pores and droplets were the common defects of TiN coating. It was found that during the hot corrosion process, the electron clouds of O in SO42− and Ti in the intact TiN coating and Ti in the droplet were in contact, and there was a tendency of charge transfer and bonding, specifically Ti losing electrons and O gaining electrons. The corrosion mainly occurred between O in SO42− and Ti, which was consistent with the experimental result of hot corrosion. The results of the first principle calculation can reflect the effect of defects such as droplets and holes on the hot corrosion behavior of TiN coating from the microscopic point of view, which can provide a theoretical basis for analyzing the mechanism of hot corrosion of the TiN/Ti coating.
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