Textile Science and Engineering (한국섬유공학회지)

The Korean Fiber Society (한국섬유공학회)
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Mechanical Properties of (Ti0.875M0.125)N (M=Cr, Hf, Mn, and Zr) Solid Solutions: Investigation of Coating Materials for Fiber-reinforced Ceramic Matrix Composites via ab Initio Calculations

(Ti0.875M0.125)N (M=Cr, Hf, Mn, 및 Zr) 고용체의 기계적 특성: 제1원리 계산을 이용한 섬유강화 세라믹용 코팅 소재 연구

  • Hyokyeong Kim (Department of Materials Science and Engineering, Soongsil University) ;
  • Haeun Lee (Department of Materials Science and Engineering, Soongsil University) ;
  • Jongwook Kwak (Department of Materials Science and Engineering, Soongsil University) ;
  • Jiwoong Kim (Department of Green Chemistry and Materials Engineering, Soongsil University)
  • 김효경 (숭실대학교 신소재공학과) ;
  • 이하은 (숭실대학교 신소재공학과) ;
  • 곽종욱 (숭실대학교 신소재공학과) ;
  • 김지웅 (숭실대학교 친환경화학소재융합학과)
  • Received : 2023.11.02
  • Accepted : 2023.12.07
  • Published : 2023.12.31
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Abstract

Nitride coatings improve the material properties of fiber in fiber-reinforced ceramic matrix composites, and in this study, we investigated the mechanical properties of (Ti0.875M0.125)N using ab initio calculation. We focused on the substitutional effect of a small amount of transition metal M (M=Cr, Hf, Mn, and Zr) in the titanium site. For the reliability of the data, it was set based on the model size and mechanical properties of known undoped ceramics. The shear and Young's modulus were the best in (Ti0.875Hf0.125)N solid solutions. CrN was the best among the whole compositions in bulk modulus, and (Ti0.875Mn0.125)N was the best among solid solutions in bulk modulus. The results of this study will provide useful information on how to develop nitrides as coating materials for fiber-reinforced ceramic matrix composites.

Keywords

Acknowledgement

이 논문은 2023년도 정부(산업통상자원부)의 재원으로 한국산업기술진흥원의 지원을 받아 수행된 연구임(P0012770, 2022년 산업혁신인재성장지원사업).

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