【摘要】 采用相图计算（CALculation of PHAse Diagrams, CALPHAD）方法构建了Ti-AlB-N四元体系热力学数据库，并对TiCl₄-AlCl₃-BCl₃-NH₃-H₂前驱体体系进行热力学计算，以预测沉积参数对TiAlBN涂层成分的影响规律，从而为涂层成分设计及相结构调控提供理论依据。热力学计算结果表明：随着AlCl₃气体比例增加，体系中Al含量升高，而Ti和B含量降低，N含量基本保持稳定。基于上述预测，通过改变AlCl₃流量制备了不同成分的TiAlBN涂层，并系统研究其成分、相结构、微观组织及力学性能。实验结果表明：涂层成分变化趋势与热力学计算结果相符。在B含量较高、Al含量较低时，w-AlN相关结构特征增强，而立方相响应相对减弱，BN主要以非晶形式存在。随着Al含量升高，涂层组织逐渐细化并趋于致密，沉积速率呈现先降低后升高的趋势。力学测试表明，涂层硬度由（19.6±1.3）GPa提升至（29.0±1.6）GPa，同时弹性模量、H/E^*和H³/E^*2也相应增加，表明涂层的抗裂能力和抗塑性变形能力均有所提升。本工作表明，热力学计算能够预测TiAlBN涂层的成分变化趋势，并为其相结构调控与性能优化提供理论指导。更多还原

【Abstract】 The thermodynamic database of the Ti-Al-B-N quaternary system was established using the calculation of phase diagrams（CALPHADs）, and thermodynamic calculations were carried out for the TiCl₄-AlCl₃-BCl₃-NH₃-H₂ precursor system to predict the influence laws of deposition parameters on the compositions of TiAlBN coatings, thereby providing a theoretical basis for coating composition design and phase structure regulation. The thermodynamic calculation results indicate that as the proportion of AlCl₃ gas increases, the Al content in the system increases, whereas the Ti and B contents decrease, and the N content remains basically stable. Based on the above predictions, TiAlBN coatings with different compositions were deposited by changing the AlCl₃ flow rate, and their compositions, phase structures, microstructures, and mechanical properties were systematically investigated. The experimental results indicate that the variation trends of the coating compositions are consistent with the thermodynamic calculation results. When the B content is higher, and the Al content is lower, the structural features related to w-AlN are enhanced, while the responses of the cubic phase are relatively weakened, and BN mainly exists in an amorphous form. With the increase of Al content, the coating microstructure gradually becomes refined and tends to be dense, and the deposition rate presents a trend of first decreasing and then increasing. Mechanical tests indicate that the coating hardness increases from（19.6 ± 1.3） GPa to（29.0 ± 1.6） GPa, and simultaneously the elastic modulus, H/E^*and H³/E^*2ratios increase accordingly, indicating that both the crack resistance and plastic deformation resistance of the coatings are improved. This work demonstrates that thermodynamic calculations can predict the composition variation trends of TiAlBN coatings and provide theoretical guidance for their phase structure regulation and performance optimization.更多还原