콘텐츠 본문
논문 해외 국제전문학술지(SCI급) THE ROLE OF CR ON OXIDE FORMATION IN NI-CR ALLOYS: A THEORETICAL STUDY
- 학술지 구분 국제전문학술지(SCI급)
- 게재년월 2018-02
- 저자명 HONG, KH (HONG, KI-HA)공동(교신),KWON, J (KWON, JUNHYUN),CHANG, K (CHANG, KUNOK),KIM, JH (KIM, JEOUNG HAN)
- 학술지명 COMPUTATIONAL MATERIALS SCIENCE
- 발행국가 해외
- 논문언어 외국어
- 전체저자수 4
논문 초록 (Abstract)
Cr is a critical alloying element in Ni-based alloys. The role of Cr on the formation of oxide nuclei in Ni-Cr alloys is theoretically investigated with density functional theory. Our simulation indicates that Cr has strong binding energy with the nearest oxygen and that it enhances the stability of the metal-oxide nucleus. Therefore, oxide dispersion can be promoted by the incorporation of Cr into Ni alloys. Additionally, potential oxide candidates for the oxide strengthening of Ni-Cr alloys are theoretically explored. The findings, through an analysis of electronic structures, suggest that La and Y are most promising when attempting to realize stable oxide formation in Ni-Cr alloys and reveal that the metal used to create the primary oxides should have low electronegativity and a large atomic radius to create stable metal-oxide nuclei.
