Resources Recycling (자원리싸이클링)

The Korean Institute of Resources Recycling (한국자원리싸이클링학회)
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A Study on the Properties of Transition Metal Nitride Coating Materials for the Recovery of Tungsten and Rare Metals

텅스텐 및 희유금속 회수를 위한 초경합금 전이금속질화물 코팅소재 특성연구

  • Kim, Jiwoo (Department of Organic Materials and Fiber Engineering, Soongsil University) ;
  • Kim, Myungjae (Department of Organic Materials and Fiber Engineering, Soongsil University) ;
  • Kim, Hyokyeong (Department of Organic Materials and Fiber Engineering, Soongsil University) ;
  • Park, Sohyun (Department of Organic Materials and Fiber Engineering, Soongsil University) ;
  • Seo, Minkyeong (Department of Organic Materials and Fiber Engineering, Soongsil University) ;
  • Kim, Jiwoong (Department of Organic Materials and Fiber Engineering, Soongsil University)
  • 김지우 (숭실대학교 유기신소재파이버공학과) ;
  • 김명재 (숭실대학교 유기신소재파이버공학과) ;
  • 김효경 (숭실대학교 유기신소재파이버공학과) ;
  • 박소현 (숭실대학교 유기신소재파이버공학과) ;
  • 서민경 (숭실대학교 유기신소재파이버공학과) ;
  • 김지웅 (숭실대학교 유기신소재파이버공학과)
  • Received : 2021.12.15
  • Accepted : 2022.01.03
  • Published : 2022.02.28
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Abstract

The recycling of coated cemented carbide scraps is becoming increasingly significant for the recovery of rare metals. However, coatings consisting of Group IV and V transition metal nitrides are one of the challenging factors in obtaining high-purity materials. We investigated the structural, elastic, and mechanical properties of Group IV and V transition-metal nitrides (TiN, VN, ZrN, NbN, HfN, and TaN) using first-principle calculations. Convergence tests were performed to obtain reliable calculated results. The equilibrium structures of the nitrides were in good agreement with those of a previous study, indicating the reliability of the data. Group IV transition metal nitrides show a higher covalent bonding nature. Thus, they exhibit a higher degree of brittleness than that of Group V transition metal nitrides. In contrast, Group V transition metal nitrides show weaker resistance to shear loading and more ductile behavior than Group IV transition metal nitrides because of the metallic bonds characterized by valence electron concentration. The results of the crystal orbital Hamilton population analysis showed good agreement with the shear resistance tendencies of all transition metal nitrides.

최근 희유금속 자원 회수에서 초경합금 스크랩 재활용의 중요성이 증가하고 있다. 그러나 IV, V족 전이금속 질화물로 코팅된 초경합금 스크랩에서 고순도 분말 회수에서 어려움을 겪고 있다. 제1원리 계산을 사용하여 IV 및 V족 전이금속 질화물(TiN, VN, ZrN, NbN, HfN 및 TaN)의 구조, 탄성 및 기계적 특성을 조사하였다. IV족 전이금속 질화물은 V족 전이금속 질화물보다 높은 공유결합 특성을 보였다. 따라서 IV족 전이금속 질화물은 V족 전이금속 질화물보다 취성 거동을 보였다. 대조적으로 V족 전이금속 질화물은 최외각전자 농도에 영향받는 금속결합의 특성 때문에 IV족 전이금속 질화물보다 전단응력에 대한 약한 저항성과 연성 거동을 보였다. Crystal orbital Hamilton population 분석 결과는 모든 전이금속 질화물의 전단 저항 경향성이 일치함을 보여주었다.

Keywords

Acknowledgement

본 연구는 2020년도 정부(과학기술정보통신부)의 재원으로 한국연구재단의 지원(No. NRF-2020R1F1A1071104)과 2020년도 정부(산업통산자원부)의 재원으로 한국산업기술진흥원의 지원을 받아 수행된 연구임(P0012770, 2020년 산업혁신인재성장지원사업).

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