탄소 섬유 강화 세라믹 매트릭스로서 312 MAX 상의 적합성 평가: 제1원리 계산

초록

Carbon fiber reinforced ceramics (CFRCs) are well-suited for aerospace components due to their high-temperature stability and oxidation resistance. The SiC-based matrix offers excellent fracture toughness and thermal shock resistance but is prone to defects such as cracking and delamination due to its brittleness. To address these issues, ongoing research focuses on incorporating MAX phase ceramics into composites. In this study, tailoring the M-site composition in MAX phases, such as M3SiC2 structures, expands the mechanical and thermal properties using ab initio calculations. This study identified that Ta-based M3SiC2 MAX phases exhibit high bulk modulus, making them resistant to pressure changes, while Ti and Hf-based phases demonstrate high shear and Young’s modulus, contributing to superior crack resistance and thermal durability. Additionally, Ti, Zr, Hf, and Ta-based compositions were found to have thermal expansion properties like SiCf effectively mitigating thermal stress and fatigue under rapid temperature fluctuations. Ab initio calculations identified Ti, Zr, Hf, and Ta-based M3SiC2 MAX phases as the most promising matrix materials for CFRCs in aerospace and high-temperature applications.

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