| 引用本文: | 孙国璨,王林静,徐凯,常可可.基于相图计算与高通量试验的AlNbTaTiVZr多元合金涂层设计及筛选[J].中国表面工程,2024,37(6):332~342 |
| SUN Guocan,WANG Linjing,XU Kai,CHANG Keke.Design and Screening of AlNbTaTiVZr Multi-component Alloy Coatings Based on Calculation of Phase Diagrams and High-throughput Experiments[J].China Surface Engineering,2024,37(6):332~342 |
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| 摘要: |
| 随着航空航天产业对于材料服役温度、比强度等性能的需求越来越高，轻质、难熔、高强的多元合金已经成为一种潜在的 Ni 基高温合金的替代品。为了设计并筛选得到一款轻质高强的多元体系合金，使用相图计算（CALPHAD）方法确定多元合金体系，通过高通量磁控共溅射物理气相沉积法制备一系列 AlNbTaTiVZr 多元合金涂层，以筛选出该体系下拥有良好性能的涂层成分。XRD 测试和计算结果显示，随着涂层样品的原子尺寸错配度增加、混合焓变负以及混合熵变大，样品逐渐由体心立方（BCC）结构转变为非晶结构。纳米压痕测试结果表明，Ti 元素含量更高的样品具有更大的硬度，而 Al、Nb 和 Ta 元素含量更高的样品具有更高的弹性模量。在摩擦磨损试验中，BCC 结构表现出全程较低的摩擦因数（约为 0.15），且拥有最低的磨损率和最小的最大磨损深度；部分结晶的涂层在摩擦过程中生成的自润滑氧化物剥落，没有起到很好的保护作用， 而非晶样品由于未生成足够的自润滑氧化物，摩擦因数较高，这两种结构的涂层均被磨穿。筛选最终发现，成分为 Al20.5Nb27.6Ta8.4Ti27.3V5.9Zr10.3的涂层 Ti 元素含量最高，该涂层具有本体系下最高的硬度，约为 9.4 GPa，同时该样品的弹性模量也接近本体系下样品弹性模量的最高值，约为 136.5 GPa。BCC 结构的涂层中，成分为 Al7.6Nb41.8Ta11.5Ti20.5V3.9Zr14.7的涂层具有本体系下最好的耐摩擦磨损性能。最终，通过相图计算与高通量试验结合的方法，成功设计一款轻质高强的多元合金体系，并分别筛选得到本体系下具有最高硬度和最好耐摩擦磨损性能的成分。研究结果解释了该体系下合金结构随成分变化的规律，并为该体系下合金性能的筛选提供一定的指导。 |
| 关键词: 多元合金 高通量 纳米硬度 磨损机理 |
| DOI：10.11933/j.issn.1007-9289.20231218001 |
| 分类号:TG156；TB114 |
| 基金项目:国家自然科学基金（52201152）；宁波市 3315 创新团队（2019A-18-C） |
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| Design and Screening of AlNbTaTiVZr Multi-component Alloy Coatings Based on Calculation of Phase Diagrams and High-throughput Experiments |
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SUN Guocan1，2，WANG Linjing2，XU Kai2，CHANG Keke2
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1.School of Materials Science and Chemical Engineering, Ningbo University, Ningbo 315211 , China ；2.Key Laboratory of Advanced Marine Materials, Ningbo Institute of Materials Technology and Engineering,Chinese Academy of Sciences, Ningbo 315201 , China
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| Abstract: |
| With the increasing demands of the aerospace industry for the performance of materials, such as high service temperatures and high strengths of materials, lightweight, refractory, and high-strength multi-component alloys have become potential substitutes for Ni-based superalloys. The huge composition space of multi-component alloys not only provides opportunities for the design of materials with excellent properties but also brings many challenges to the screening of multi-component alloys. The calculation of phase diagrams (CALPHAD) method was used to assist in the determination of multi-component systems to design and screen lightweight and high-strength multi-component alloys. The results showed that the AlNbTaTiVZr alloy tended to form a BCC phase in a wide range of components and temperatures. A series of AlNbTaTiVZr multi-component alloy coatings was prepared via high-throughput magnetron co-sputtering physical vapor deposition (PVD) to screen multi-component alloys with good properties in this system. Five sputter targets were used for the co-sputtering process during sample preparation. During deposition, the rotational speed of the substrate plate was set to zero to ensure that each sample on the plate had a different composition. The effects of the compositional change on the structure and performance of the coatings were studied using XRD, SEM / EDS, XPS, nanoindentation, and friction experiments. The EDS results show that the film of each sample was dense, and no holes or cracks were observed. The thickness of the film was approximately 3.36 μm, and the elements were evenly distributed. The successful preparation of a large number of samples with different compositions in a single experiment demonstrated that the intended goal of high-throughput sample preparation was successfully achieved. Both the calculation and experimental results showed that with an increase in the atomic size difference, the mixing enthalpy became more negative, and the sample gradually changed from a BCC structure to an amorphous structure. The results of the nanoindentation test showed that the changes in the hardness and elastic modulus of the samples were mainly caused by changes in their composition. Samples with higher Ti content had greater hardness, and samples with higher Al, Nb, and Ta contents had higher elastic modulus. In abrasion tests, it was found that the abrasion resistance of a sample was closely related to its structure. The sample with the BCC structure maintained a low factor of friction (approximately 0.15) during the entire friction process, and the BCC samples had the lowest wear rate and lowest maximum wear depth in this system. Self-lubricating oxides, such as V2O5, Ta2O5, and Nb2O5, were produced during the friction processes of the BCC samples, resulting in a lower factor of friction and lower wear rates. The self-lubricating oxides produced by the partially crystalline samples peeled off. Hence, the oxides did not provide good protection. The amorphous samples did not generate sufficient self-lubricating oxides, resulting in a high coefficient of friction. The coatings of both the partially crystalline and amorphous samples were worn out. Finally, the Al20.5Nb27.6Ta8.4Ti27.3V5.9Zr10.3 coating, which had the highest content of Ti, had the highest hardness of approximately 9.4 GPa, and the elastic modulus of this sample, which was 136.5 GPa, was only 6 GPa lower than that of the sample with the highest elastic modulus. Among the BCC structure coatings, the Al7.6Nb41.8Ta11.5Ti20.5V3.9Zr14.7 coating had the best wear resistance in this system. Finally, by combining the calculation of the phase diagram method and high-throughput experiments, a lightweight and high-strength multi-component system was successfully designed. Moreover, the component with the highest hardness and the component with best wear resistance in this system were successfully screened. |
| Key words: multi-component alloy high throughput nano hardness wearing mechanism |
