A multiscale model for CVD growth of silicon carbide

Guan, Kang; Zeng, Qingfeng; Liu, Yongsheng; Luan, Xingang; Lu, Zhenya; Wu, Jian

doi:10.1016/j.commatsci.2021.110512

Cited by 13 publications

(23 citation statements)

References 54 publications

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“…Both chemical reaction kinetics and physical transfer phenomena are contained in these simulations. Additionally, assumptions proposed as [12,17,19]: (1) the mixture flow in the reactor is ideal laminar flow; (2) the gas-phase reactions are very fast; and (3) reaction expansion or contraction was neglected. Normally, physics applied in a CVD process which, using the dilute mixture approach, include three important parts: heat and mass transfer, fluid flow and chemistry [7].…”

Section: Simulation Modelingmentioning

confidence: 99%

“…However, extreme high temperature conditions contributed undesirable increase of defects in the grown SiC films [16]. In this work the gas phase species were reacted in the temperature range of 900-1500 • C. Similar temperature distributions were employed in comparable investigations [12,[16][17][18].…”

Section: Introductionmentioning

confidence: 99%

“…The employment of chloride contained precursors is an elegant way to circumvent the problem with the silicon droplets in the CVD processes [22]. Methyltrichlorosilane (CH 3 SiCl 3 , MTS) is one of the chlorides contained species and can be used as the precursor gas for hot-wall chemical vapor deposition of SiC [17,18,23]. MTS becomes an affordable precursor for CVD processes of SiC since it has good performance in stoichiometric SiC deposition and can be facilitated at relatively lower temperature [12].…”

Section: Introductionmentioning

confidence: 99%

“…MTS becomes an affordable precursor for CVD processes of SiC since it has good performance in stoichiometric SiC deposition and can be facilitated at relatively lower temperature [12]. It decomposes in carrier gas to intermediate species, of which contribute greatly to deposition of the SiC film on the substrate surface [12,17].…”

Section: Introductionmentioning

confidence: 99%

“…Since researchers are interested in understanding and predicting the overall growth phenomena in CVD processes, calculations [7,12,17,18,20,24] of chemical kinetics coupling with heat and mass transfer and fluid dynamics were commonly used to investigate SiC growth process. Simulation models [12,17,18,23,25] with gas phase reactions of MTS-H 2 gaseous system were proposed by different researchers. However, thorough investigations focus on the effect of reactor temperature, MTS/H 2 ratio and total gas flow rate are still lacked.…”

Section: Introductionmentioning

confidence: 99%

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Numerical Simulation of Gas Phase Reaction for Epitaxial Chemical Vapor Deposition of Silicon Carbide by Methyltrichlorosilane in Horizontal Hot-Wall Reactor

et al. 2021

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Methyltrichlorosilane (CH3SiCl3, MTS) has good performance in stoichiometric silicon carbide (SiC) deposition and can be facilitated at relatively lower temperature. Simulations of the chemical vapor deposition in the two-dimensional horizontal hot-wall reactor for epitaxial processes of SiC, which were prepared from MTS-H2 gaseous system, were performed in this work by using the finite element method. The chemistry kinetic model of gas-phase reactions employed in this work was proposed by other researchers. The total gas flow rate, temperature, and ratio of MTS/H2 were the main process parameters in this work, and their effects on consumption rate of MTS, molar fraction of intermediate species and C/Si ratio inside the hot reaction chamber were analyzed in detail. The phenomena of our simulations are interesting. Both low total gas flow rate and high substrate temperature have obvious effectiveness on increasing the consumption rate of MTS. For all cases, the highest three C contained intermediates are CH4, C2H4 and C2H2, respectively, while the highest three Si/Cl contained intermediates are SiCl2, SiCl4 and HCl, respectively. Furthermore, low total gas flow results in a uniform C/Si ratio at different temperatures, and reducing the ratio of MTS/H2 is an interesting way to raise the C/Si ratio in the reactor.

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Section: Simulation Modelingmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Numerical Simulation of Gas Phase Reaction for Epitaxial Chemical Vapor Deposition of Silicon Carbide by Methyltrichlorosilane in Horizontal Hot-Wall Reactor

et al. 2021

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Multi‐scale study of fluidized bed‐chemical vapour deposition process in nuclear fuel coated particle fabrication for high‐temperature gas‐cooled reactor: A review

Yan,

Jiang,

Tian

et al. 2024

Can J Chem Eng

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Fluidized bed‐chemical vapour deposition (FB‐CVD) is a kind of key technology used widely in many application fields, such as semiconductors, nuclear energy, energy storage, and catalysts. In recent years, it has drawn much attention in the preparation of nuclear fuel coated particles (CP). It also has long played a crucial role in the preparation of high‐temperature gas‐cooled reactor (HTGR) fuel pebbles. The multi‐scale study of FB‐CVD technology has paid attention to the industrial fabrication of nuclear fuel particles at a large scale. In this paper, the recent FB‐CVD studies of different application fields are summarized first. Then, the recent works of our group in the field of FB‐CVD process in nuclear fuel particle fabrication are summarized. The FB‐CVD process in nuclear fuel particle fabrication and the multi‐scale study of the FB‐CVD process are overviewed in detail. Molecular dynamics (MD) simulation is used to study the CVD process of preparing the coating layer at the micro‐scale. Computational fluid dynamics–discrete element model (CFD‐DEM) simulation is used to study the high‐density particle fluidization, mixing particle fluidization, and particle coating process at the particle scale. Process simulation is used to study the entire FB‐CVD production line at the macro scale. Finally, the great application potential of the multi‐scale coupling study of the FB‐CVD process in the industrial fabrication of nuclear fuel particles is revealed. This paper is helpful to develop the academic research field of fluidized beds. It also has inspiration and reference significance for the expansion of other industrial applications of FB‐CVD.

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Multiscale modeling and experimental study of molecular weight distribution and monomeric ratio in PHA production

Kim,

Shah,

Bhavsar

et al. 2024

Chemical Engineering Journal

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A multiscale model for CVD growth of silicon carbide

Cited by 13 publications

References 54 publications

Numerical Simulation of Gas Phase Reaction for Epitaxial Chemical Vapor Deposition of Silicon Carbide by Methyltrichlorosilane in Horizontal Hot-Wall Reactor

Numerical Simulation of Gas Phase Reaction for Epitaxial Chemical Vapor Deposition of Silicon Carbide by Methyltrichlorosilane in Horizontal Hot-Wall Reactor

Multi‐scale study of fluidized bed‐chemical vapour deposition process in nuclear fuel coated particle fabrication for high‐temperature gas‐cooled reactor: A review

Multiscale modeling and experimental study of molecular weight distribution and monomeric ratio in PHA production

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