Recombination coefficient of atomic oxygen on ceramic materials under earth re-entry conditions by optical emission spectroscopy

Balat‐Pichelin, Marianne; Badie, J. M.; Berjoan, R.; Boubert, Pascal

doi:10.1016/s0301-0104(03)00152-6

Cited by 117 publications

(108 citation statements)

References 32 publications

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“…2. The choice of β-cristobalite is motivated by experimental studies from Balat-Pichelin et al [15,22,23] where silicon-carbide (SiC) surfaces were exposed to high temperature air-plasmas. During such exposure, an oxide layer was quickly formed and atomic oxygen loss-rates (recombination coefficients) were then determined next to the oxide layer surface.…”

Section: Unphysical Bulk Materials (Prior Studies)mentioning

confidence: 99%

“…Silica is chosen because it is a significant component in both reusable (LI900, LI2200, FRSI) and ablative (SIRCA) thermal protection systems [24]. In addition, studies have found that several non-SiO 2 based thermal protection systems, such as SiC (at T < 1800 K) and Ultra High Temperature Ceramics (ZrB2-SiC and ZrB2-SiCHfB2 at T < 1300 K) form thin SiO 2 layers when exposed to air plasma, and act similarly to pure silica from a catalytic perspective [22,33]. Despite a large body of experimental work there is uncertainty in the precise temperature, pressure, and gas composition dependence of heating on silica surfaces due to heterogeneous catalysis [23].…”

Section: Iii1 a Finite-rate Catalytic Model For Oxygen-silica From Cmentioning

confidence: 99%

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A Finite-Rate Gas-Surface Interaction Model Informed by Fundamental Computational Chemistry Simulations

Schwartzentruber¹

2013

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Public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing this collection of information. Send comments regarding this burden estimate or any other aspect of this collection of information, including suggestions for reducing this burden to Department of Defense, Washington Headquarters Services, Directorate for Information A -Approved for public release A finite-rate gas-surface model (for use as a CFD boundary condition) specific to oxygen-silica reactions was formulated using computational chemistry calculations. A new interatomic potential was developed (and made publicly available) specifically for oxygen-silica gas-surface reactions (ReaxFF-SiO-GSI) using a large database of density functional theory single point energies.Computational chemistry calculations predicted a number of surface defects on realistic silica surfaces (in agreement with experimental data) which participate in the surface recombination of oxygen. The dominant reaction pathways occurring on these defects were studied by MD simulations of oxygen impacts. Steric factors and activation energies were computed for each reaction and the resulting model was formulated to satisfy detailed balance. The dominant mechanisms were found to not be activated processes (no energy barriers), resulting in little temperature dependence on recombination efficiencies. Product molecules resulting from a single collision-based reaction were found to not thermally accommodate to the surface, rather they leave in excited vibrational levels. The new finite-rate model and thermal accommodation results can be directly used in CFD calculations.

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Section: Unphysical Bulk Materials (Prior Studies)mentioning

confidence: 99%

Section: Iii1 a Finite-rate Catalytic Model For Oxygen-silica From Cmentioning

confidence: 99%

A Finite-Rate Gas-Surface Interaction Model Informed by Fundamental Computational Chemistry Simulations

Schwartzentruber¹

2013

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“…Tabela 1: Espécies atômicas, radicais, moleculares e iônicas identificadas por suas respectivas transições [13,14,27,31,32]. A energia de ativação é definida como a energia requerida para excitar uma partícula atômica de um estado de excitação base (normal) para um estado de transição mais alto.…”

Section: Materiais E Métodosunclassified

Influência das espécies do plasma na modificação das propriedades superficiais do titânio tratado por plasma de N2 - Ar - O2

Braz¹,

Barbosa²,

Filho³

et al. 2012

Matéria (Rio J.)

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RESUMOO presente estudo mostra uma relação entre o comportamento das espécies ativas do plasma com as propriedades superficiais do titânio. Para tanto, espécies ativas como N 2 + (391,4 nm) e O (844,6 nm) foram analisadas por espectroscopia de emissão óptica (OES) em plasma produzido por uma mistura de gases ABSTRACTThe present study correlates plasma active species with titanium surface properties. This was achieved by performing optical emission spectroscopy (OES) analysis of N 2 + (391.4 nm) and O (844.6 nm) within a N 2 -A r -O 2 plasma. The fluxes of gases were established to be 1 and 4 sccm (standard cubic centimeter) for nitrogen and argon, while that of oxygen was varied between 2 and 4 sccm. A non-linearity of the intensity of N 2 + (391.4 nm) species with the increase on O 2 flux was observed with an intensity peak at 3 sccm. It was also concluded that the active species influence the modification of properties after the plasma treatment. The N 2 + (391.4 nm) species were more effective to form nitrides and the surface roughness was bigger when those species presented higher intensity. Surface hardness and surface stress were also higher whenever using higher intensity fluxes of N 2 + (391.4 nm). Furthermore, while the N 2 + (391.4 nm) specie influenced the dispersive component, the O (844.6 nm) specie influenced the polar component.

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“…Silica is chosen because it is a significant component in both reusable (LI900, LI2200, FRSI) and ablative (SIRCA) thermal protection systems [24]. In addition, studies have found that several non-SiO 2 based thermal protection systems, such as SiC (at T < 1800 K) and Ultra High Temperature Ceramics (ZrB2-SiC and ZrB2-SiC-HfB2 at T < _1300 K) form thin SiO 2 layers when exposed to air plasma, and act similarly to pure silica from a catalytic perspective [22,33]. Despite a large body of experimental work there is uncertainty in the precise temperature, pressure, and gas composition dependence of heating on silica surfaces due to heterogeneous catalysis [23].…”

Section: Iii4 Development Of a Finite-rate Catalytic Model For Oxygementioning

confidence: 99%

“…To generate bulk a-SiO 2 , we performed molecular dynamics simulations following the annealing procedure described by Hu et al 22 Bulk β-cristobalite was given an initial temperature of 8000 K, and propagated for 20 ps under NVT dynamics to randomize its initial structure. The bulk was then cooled at 50 K/ps under NVT dynamics until it reached 300 K. The system was propagated for a further 40 ps under NPT dynamics at 300 K, 1 atm, with the last 20 ps used to collect statistics about the structure.…”

Section: Realistic Amorphous Sio 2 Bulk Structuresmentioning

confidence: 99%

A Gas-Surface Interaction Model based on Accelerated Reactive Molecular Dynamics for Hypersonic Conditions including Thermal Conduction

Schwartzentruber¹,

Tadmor²,

Cozmuta³

2012

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Recombination coefficient of atomic oxygen on ceramic materials under earth re-entry conditions by optical emission spectroscopy

Cited by 117 publications

References 32 publications

A Finite-Rate Gas-Surface Interaction Model Informed by Fundamental Computational Chemistry Simulations

A Finite-Rate Gas-Surface Interaction Model Informed by Fundamental Computational Chemistry Simulations

Influência das espécies do plasma na modificação das propriedades superficiais do titânio tratado por plasma de N2 - Ar - O2

A Gas-Surface Interaction Model based on Accelerated Reactive Molecular Dynamics for Hypersonic Conditions including Thermal Conduction

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