纳米晶材料
材料科学
原子单位
无定形固体
表征(材料科学)
化学物理
机制(生物学)
涂层
相(物质)
领域(数学)
化学工程
纳米技术
结晶学
化学
物理
工程类
有机化学
数学
量子力学
纯数学
作者
Zheyuan Liu,H. Zapolsky,Sai Tang,Renaud Patte,Hongkui Mao,Yong Du,Lianchang Qiu,Li Zhang
标识
DOI:10.1016/j.apsusc.2024.159458
摘要
TiSiN nanocomposite coatings have exceptional strength, toughness, and corrosion resistance due to their unique biphase amorphous/nanocrystalline structure with tiny TiN grains embedded in an amorphous Si3N4 phase. However, the unclear formation process makes microstructural control challenging. In this study the phase field crystal method has been employed to analyze the microstructure evolution in TiSiN coatings, uncovering a four-step formation mechanism for the amorphous-nanocrystalline structure. The initial stage results in appearance of concentration heterogeneities and the development of the triangular-like short-range order (Stage I). This stage is followed by the nucleation of nanocrystals in Ti-rich zones and the transformation of triangular short-range to the long-range order with a square symmetry (Stage II). Then, during coarsening stage, Ti-rich polycrystalline nanocrystals are formed (Stage Ⅲ) followed by the vacancy migration from the polycrystalline nanocrystals to amorphous phase and formation of monocrystalline Ti nanocrystals embedded in amorphous phase (Stage Ⅳ). The simulation results are compared qualitatively with aberration-corrected High-Resolution Scanning Transmission Electron Microscopy and High-Resolution Transmission Electron Microscopy images from our study.
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