(Ti0.875M0.125)N (M=Cr, Hf, Mn, 및 Zr) 고용체의 기계적 특성: 제1원리 계산을 이용한 섬유강화 세라믹용 코팅 소재 연구
Mechanical Properties of (Ti0.875M0.125)N (M=Cr, Hf, Mn, and Zr) Solid Solutions: Investigation of Coating Materials for Fiberreinforced Ceramic Matrix Composites via ab Initio Calculations
김효경(숭실대학교 신소재공학과); 이하은(숭실대학교 신소재공학과); 곽종욱(숭실대학교 신소재공학과); 김지웅(숭실대학교)
60권 6호, 383~390쪽
초록
Nitride coatings improve the material properties of fiber in fiber-reinforcedceramic 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 smallamount of transition metal M (M=Cr, Hf, Mn, and Zr) in the titanium site. For the reliabilityof the data, it was set based on the model size and mechanical properties of knownundoped ceramics. The shear and Young's modulus were the best in (Ti0.875Hf0.125)N solidsolutions. 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 thisstudy will provide useful information on how to develop nitrides as coating materials forfiber-reinforced ceramic matrix composites.
Abstract
Nitride coatings improve the material properties of fiber in fiber-reinforcedceramic 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 smallamount of transition metal M (M=Cr, Hf, Mn, and Zr) in the titanium site. For the reliabilityof the data, it was set based on the model size and mechanical properties of knownundoped ceramics. The shear and Young's modulus were the best in (Ti0.875Hf0.125)N solidsolutions. 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 thisstudy will provide useful information on how to develop nitrides as coating materials forfiber-reinforced ceramic matrix composites.
- 발행기관:
- 한국섬유공학회
- 분류:
- 섬유공학