Selection criteria for sealing glasses for SiC packaging

Guinel, Maxime J.-F.; Norton, M. Grant

doi:10.1016/j.jnoncrysol.2004.09.002

Cited by 9 publications

(5 citation statements)

References 26 publications

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“…In addition to the space vehicles application, SiC is also used extensively in the semiconductor industries for high temperature and high voltage electronics. , Therefore, interaction of SiC with oxidizing gases is of a more general interest. The focus of this article is therefore to study the initial stage of the SiC oxidation reactions of SiC using computational chemical simulation tools.…”

Section: Introductionmentioning

confidence: 99%

Oxidation of Silicon Carbide by O₂and H₂O: A ReaxFF Reactive Molecular Dynamics Study, Part I

et al. 2012

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Simulations of the initial oxidation process of a SiC surface exposed to O2 and H2O molecules was studied with ReaxFF, an atomically detailed reactive molecular dynamics method that naturally models the breaking and forming of bonds. In this work, the ReaxFF forcefield was first expanded by training it with new quantum mechanics data of the binding energy, equation of state, and heat of formation of the SiC crystal, along with data from earlier studies that describes Si – Si, Si – O, and Si – H interactions. This expanded ReaxFF forcefield is capable of simultaneously describing both Si–C–O and Si–O–H bonding interactions. Using the forcefield, oxidation simulations were performed at various temperatures (in the range of 500 to 5000 K), and the trajectories were analyzed. The analyses showed that SiC gradually transforms into the oxides of silicon with simultaneous formation of a graphite-like layer. In presence of excess O2, the graphite-like layer was further oxidized to CO and CO2. We also analyzed the trajectories with two-atom and three-atom clusters to quantitatively track the oxidation progress. This analysis clearly showed Si–O and C–C bond formation at the expense of O–O and Si–C bond consumption indicating SiC oxidation with simultaneous formation for carbon-like structure. Consumption of SiC with O2 was found to be faster than that with H2O. We have also reported the oxidation simulation of SiC with a mixture of H2O and O2. Oxidation proceeded effectively as a two-part sequence, with O2 first oxidizing the SiC, followed then by H2O.

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Section: Introductionmentioning

confidence: 99%

Oxidation of Silicon Carbide by O₂and H₂O: A ReaxFF Reactive Molecular Dynamics Study, Part I

et al. 2012

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“…The main oxidation reactions are predicted by thermodynamics calculation, and all the thermodynamics data could be found in HSC Chemistry 5.0 code. Three reactions possibly occurred in the presence of oxygen as follows according to the thermodynamics calculation [8][9][10].…”

Section: Resultsmentioning

confidence: 99%

High Temperature Oxidation Behavior of Silicon Carbide Ceramic

Chen

Qiu

Jiao

et al. 2016

KEM

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Oxidation thermodynamics of silicon carbide (SiC)ceramic was studied by means of HSC Chemistry code, and the weight change, morphology and phase of oxidation products were analyzed by thermogravimetric analysis(TG), scanning electron microscopy(SEM ) and X-ray diffraction (XRD). The results showed that SiC ceramic could be oxidized to silicon dioxide(SiO2) with release of small molecular gases under oxidizing atmosphere at 800°C, and the formed SiO2 film with appropriate fluidity and low oxygen diffusion coefficient could prevent the spread of oxygen with the oxidation temperature increasing up to 1200°C, which favored the anti-oxidation of SiC ceramic matrix composite.

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“…The underlying rationale for this interest of the scientific and engineering community is the unique structural and material properties of SiC, where high strength of the Si–C bonds play the crucial role . Thermal shock resistance, creep resistance and high temperature strength make silicon carbide an excellent material for harsh environment applications such as environmental barrier coatings, aerospace applications, nuclear power instrumentation, , and also electronic devices in harsh environments. ,− A large number of SiC polytypes with wide band gap and biocompatibility also offer many possibilities for using SiC as a material for various sensor design, including MEMs sensors, gas sensors, optical detectors, and semiconductor instruments and devices. , Chemical stability along with corrosion resistance, , particularly oxidation resistance, , opens up opportunities for applications in the field of heat exchangers, recuperators and chemical processing components …”

Section: Introductionmentioning

confidence: 99%

Atomic-Level Simulation Study of n-Hexane Pyrolysis on Silicon Carbide Surfaces

et al. 2017

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Ethylene production plays a key role in the petrochemical industry. The severe operation conditions of ethylene thermal cracking, such as high-temperature and coke-formation, pose challenges for the development of new corrosion-resistant and coking-resistant materials for ethylene reactor radiant coils tubes (RCTs). We investigated the performance of ceramic materials such as silicon carbide (SiC) in severe pyrolysis conditions by using reactive force field molecular dynamics (ReaxFF MD) simulation method. Our results indicate that β-SiC surface remains fully stable at 1500 K, whereas increased temperature results in melted interface. At 2500 K, fully grown cross-linked-graphene-like polycyclic aromatic hydrocarbon coking structure on SiC surfaces was observed. Such coking was particularly severe in the carbon-side of the surface slab. The coking structures were mainly derived from surface atoms at the initial 3.0 ns, as a result of the loss of interfacial hydroxyl layer and further hydrothermal corrosion. The SiC substrate surface enhances the ethylene cracking rate and also leads to different intermediate-state compounds. Our fundamental research will have significant and broad impact on both petrochemical industry and academic research in materials science, petrochemistry, and combustion chemistry.

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Selection criteria for sealing glasses for SiC packaging

Cited by 9 publications

References 26 publications

Oxidation of Silicon Carbide by O₂and H₂O: A ReaxFF Reactive Molecular Dynamics Study, Part I

Oxidation of Silicon Carbide by O₂and H₂O: A ReaxFF Reactive Molecular Dynamics Study, Part I

High Temperature Oxidation Behavior of Silicon Carbide Ceramic

Atomic-Level Simulation Study of n-Hexane Pyrolysis on Silicon Carbide Surfaces

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Selection criteria for sealing glasses for SiC packaging

Cited by 9 publications

References 26 publications

Oxidation of Silicon Carbide by O2and H2O: A ReaxFF Reactive Molecular Dynamics Study, Part I

Oxidation of Silicon Carbide by O2and H2O: A ReaxFF Reactive Molecular Dynamics Study, Part I

High Temperature Oxidation Behavior of Silicon Carbide Ceramic

Atomic-Level Simulation Study of n-Hexane Pyrolysis on Silicon Carbide Surfaces

Contact Info

Product

Resources

About

Oxidation of Silicon Carbide by O₂and H₂O: A ReaxFF Reactive Molecular Dynamics Study, Part I

Oxidation of Silicon Carbide by O₂and H₂O: A ReaxFF Reactive Molecular Dynamics Study, Part I