Thermodynamic description of the Dy-Si-C system in silicon carbide ceramics

doi:10.1016/j.calphad.2020.101738

CORC > 宁波材料技术与工程研究所 > 中国科学院宁波材料技术与工程研究所 > 2020专题

	Thermodynamic description of the Dy-Si-C system in silicon carbide ceramics
	Xu, Kai; Chen, Leilei; Chang, Keke; Wan, Peng; Li, Mian; Deng, Zixuan; Huang, Feng; Huang, Qing
刊名	CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
	2020
卷号	68
关键词	TOTAL-ENERGY CALCULATIONS RARE-EARTH SILICIDES ENTHALPIES CARBON FABRICATION TRANSFORMATION DYSPROSIUM GERMANIDES DICARBIDES HOSI1.67
DOI	10.1016/j.calphad.2020.101738
英文摘要	To predict the thermal behaviors of Dy3Si2C2 during sintering or joining process of the silicon carbide (SiC) ceramics, we established a detailed thermodynamic description of Dy-Si-C by coupling the first-principles calculations and the CALPHAD (CALculation of PHAse Diagram) approach. First-principles calculations were applied to acquire the formation enthalpies of key compounds, which can perform as end-members during optimization. We proposed a first Dy-C binary phase diagram referred to other RE-C (RE = La, Ce and Pr) systems. The Dy-Si system, previously described with the modified quasichemical model (MQM), was modeled based on the random-mixing Bragg Williams model in this work. The presently obtained thermodynamic parameters can reasonably reproduce the available experimental data and elucidate the thermal behaviors of Dy3Si2C2. We calculated that Dy3Si2C2 reacted with SiC via ternary eutectic reaction at 1432 degrees C, which was consistent with the reported experimental results. Further work of other SiC-based systems may provide foresight to explore new sintering aids in ceramics.
学科主题	Thermodynamics ; Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
内容类型	期刊论文
源URL	[http://ir.nimte.ac.cn/handle/174433/19912]
专题	2020专题
作者单位	Chang, KK (corresponding author), Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Engn Lab Adv Energy Mat, Ningbo 315201, Zhejiang, Peoples R China.
推荐引用方式 GB/T 7714	Xu, Kai,Chen, Leilei,Chang, Keke,et al. Thermodynamic description of the Dy-Si-C system in silicon carbide ceramics[J]. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY,2020,68.
APA	Xu, Kai.,Chen, Leilei.,Chang, Keke.,Wan, Peng.,Li, Mian.,...&Huang, Qing.(2020).Thermodynamic description of the Dy-Si-C system in silicon carbide ceramics.CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY,68.
MLA	Xu, Kai,et al."Thermodynamic description of the Dy-Si-C system in silicon carbide ceramics".CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY 68(2020).