Temperature-dependent stable phase domains of Zr-C-N (Zr-ZrC-ZrC0.96-Zr(C1−xNx)−ZrN, x = 0.1-0.9) systems from ab initio calculations and experimental results
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- 作者：Jiwoong Kima ; b ; Heejeong Limc ; d ; Yong Jae Suha ; b ; Hyoseon Lime ; mmc@naver.com" class="auth_mail" title="E-mail the corresponding author ; Shinhoo Kangf ; Shinkang@snu.ac.kr" class="auth_mail" title="E-mail the corresponding author
- 关键词：Ceramics ; Phase transitions ; Thermodynamic properties ; Computer simulations ; Stable phase domains
- 刊名：Journal of Alloys and Compounds
- 出版年：2017
- 出版时间：25 January 2017
- 年：2017
- 卷：692
- 期：Complete
- 页码：997-1003
- 全文大小：2457 K
文摘
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Thermodynamic properties of ZrC, ZrC0.96, ZrN, Zr(C1−xNx) were obtained.
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Stable phase diagrams showed relative temperature-dependent phase stability.
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Harmonic and quasi-harmonic effects of the phases were examined.
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Applicability of the results was examined in practical experimental conditions.
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Results will guide applications, particularly in extreme conditions.