Thermodynamic modeling of the C–RE (RE=La, Ce and Pr) systems

Peng, Yingbiao; Du, Yong; Zhang, Lijun; Sha, Chunsheng; Liu, Shuhong; Zheng, Feng; Zhao, Dongdong; Yuan, Xin; Chen, Li

doi:10.1016/j.calphad.2011.09.002

Cited by 22 publications

(16 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Thermodynamic description for the La‐C system was taken from Ref. The present parameters can well reproduce the reported experimental data. As for the La‐Si‐C system, there was few experimental information besides the La 3 Si 2 C 2 phase …”

Section: Literature Reviewmentioning

confidence: 74%

“…The constituent Si‐C binary system is directly taken from Ref. Parameters of the RE‐C (RE = La, Ce, Pr) systems are taken from the work of Peng et al Thermodynamic description of the Ce‐Si system reported by Huang et al is adopted in the present optimization. However, by considering the experimental data listed in Table , the phase descriptions in the La‐Si and Pr‐Si systems have been re‐optimized based on the previous work .…”

Section: Computational Methods Thermodynamic Models and Experimentamentioning

confidence: 99%

“…Peng et al optimized the Ce‐C system based on the La‐C system with limited experimental data. The published thermodynamic data were accepted in the present calculations.…”

Section: Literature Reviewmentioning

confidence: 99%

“…Kim et al reviewed the Pr‐Si system in detail, and conducted the optimization with MQM. As with the La‐C system, we used the parameters from the work of Peng et al, which were obtained based on enough experimental data, to describe the Pr‐C system. Like the La‐Si‐C and Ce‐Si‐C systems, the Pr 3 Si 2 C 2 phase was reported to be stable in the Pr‐Si‐C system as well …”

Section: Literature Reviewmentioning

confidence: 99%

See 3 more Smart Citations

Thermodynamic descriptions of the light rare‐earth elements in silicon carbide ceramics

Chang

Zhou

et al. 2020

J Am Ceram Soc

View full text Add to dashboard Cite

The Y3Si2C2 coating on the silicon carbide (SiC) powders is reported to improve the sintering process, but the relatively high sintering temperature (1600°C) restricts the engineering application. A series of thermodynamic descriptions for the SiC with light rare‐earth elements are desired to develop potential SiC‐RE3Si2C2 core‐shell structures as sintering aids with lower temperatures. Coupling the CALPHAD (CALculation of PHAse Diagram) approach and first‐principles calculations, we have investigated the RE‐Si‐C (RE = La, Ce and Pr) systems. In the SiC‐RE3Si2C2 core‐shell structures, the RE3Si2C2 phases can react with SiC via ternary eutectic reactions at 810°C, 747°C, and 1148°C respectively. The predicted thermal behaviors of the Pr3Si2C2 phase were further confirmed by our key experiments. Therefore, our database can be used to predict promising sintering aids and guide the subsequent processes.

show abstract

Section: Literature Reviewmentioning

confidence: 74%

Section: Computational Methods Thermodynamic Models and Experimentamentioning

confidence: 99%

“…Peng et al optimized the Ce‐C system based on the La‐C system with limited experimental data. The published thermodynamic data were accepted in the present calculations.…”

Section: Literature Reviewmentioning

confidence: 99%

Section: Literature Reviewmentioning

confidence: 99%

See 2 more Smart Citations

Thermodynamic descriptions of the light rare‐earth elements in silicon carbide ceramics

Chang

Zhou

et al. 2020

J Am Ceram Soc

View full text Add to dashboard Cite

show abstract

“…The existence of CeSiP 3 was reported by Hayakawa et al [13] However, it has not been considered in the present study due mainly to the lack of experimental thermochemical properties. Because the graphite crucible was used in the present experiments, thermodynamic description of the Ce-C system was considered in the present study and taken from Peng et al [14] Using the above assessed subsystems, a thermodynamic description for the Si-based Si-C-Ce-P system has been constructed and used to predict the phase transformation during solidification of Ce-doped Si-P alloys. …”

Section: Figure 4 the Tentative Phase Diagram Of Ce-p Systemmentioning

confidence: 99%

Removal of Phosphorus in Metallurgical Silicon by Rare Earth Elements

Tang

Løvvik

Safarian

et al. 2014

Metallurgical and Materials Transactions E

View full text Add to dashboard Cite

Removal of phosphorus in metallurgical silicon is one of the crucial steps for the production of SoG-Si feedstock. The possibility of doping rare earth elements for phosphorus removal has in this work been studied both theoretically and experimentally. Thermochemical properties of Ce and Pr monophosphides have first been estimated by ab initio thermodynamic simulations based on density functional theory and the direct phonon method. The reliability of the first principles calculations was assessed by coupling with the phase diagram data of the Pr-P system. Equilibrium calculations confirmed the existence of stable rare earth monophosphides in solid silicon. Experimental investigations were then carried out, employing a high temperature resistance furnace. The Ce-doped silicon samples were examined by EPMA and ICP analysis. The efficiency of phosphorus removal by means of rare earth doping was discussed in detail in the paper.

show abstract