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All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Disordering and H-embrittlement of Pb(110) surface using embedded atom method and molecular dynamics

The dynamics and structure of the crystal melt interface are of great importance in crystal growth, melting, and other properties of the solid-liquid interface. The Embedded Atom Method (EAM), a semiempirical method developed by Daw and Baskes for determining the energetics of atoms in a bulk environment, is a useful method in the computer simulation. The EAM functions of PB in conjunction with the MD code are employed to study melting and disordering of the Pb(100) surface. The EAM functions are fitted to the bulk experimental data at zero temperature, and it is not clear if it will behave correctly at higher temperatures. In fact, it is shown that use of a similar type of potential at higher temperatures might result in a negative coefficient of thermal expansion. The primary purpose here is to perform MD simulation combined with the EAM functions of PB to study melting of the Pb(100) surface. This provides an accurate test of the EAM functions at higher temperatures. In particular, we calculate the two dimensional structure factor, the two dimensional distribution function, and density profile as a function of temperature up to the melting point of lead.

Karimi, Majid↗
NASA NTRS2000

Chemisorption and Diffusion of H on a Graphene Sheet and Single-Wall Carbon Nanotubes

Recent experiments on hydrogen storage in single wall nanotubes and nanotube bundles have reported large fractional weight of stored molecular hydrogen which are not in agreement with theoretical estimates based of simulation of hydrogen storage by physisorption mechanisms. Hydrogen storage in catalytically doped nanotube bundles indicate that atomic H might undergo chemisorption changing the basic nature of the storage mechanism under investigation by many groups. Using a generalized tight-binding molecular dynamics (GTBMD) method for reactive C-H dynamics, we investigate chemisorption and diffusion of atomic H on graphene sheet and C nanotubes. Effective potential energy surfaces (EPS) for chemisorption and diffusion are calculated for graphene sheet and nanotubes of different curvatures. Analysis of the activation barriers and quantum rate constants, computed via wave-packet dynamics method, will be discussed in this presentation.

Srivastava, Deepak↗
NASA NTRS1991

Algorithm Computes Hypersonic Flow Of Air

Algorithm simulates three-dimensional hypersonic flow of air or another mixture of gases around blunt body. Accounts for nonequilibrium thermochemical effects via two-temperature mathematical model of molecular excitations and equations for finite-rate chemical reactions. These equations fully coupled to fluid dynamical equations.

Palmer, Grant↗
NASA NTRSDate not supplied

Quantifying Leak Rates and Vacuum Impact on Granular Soil Column Pneumatic Seal

Introduction: All In-Situ Resource Utilization (ISRU) regolith reactor systems that aim to extract gases or vapors must maintain a seal along the flow path of the regolith from the inlet hopper to where extracted gases or vapors are generated. Using a column of regolith at the inlet has been proposed as an alternative to systems using series of mechanical valves to reduce mass and complexity. Preliminary investigations into the use of regolith itself as a barrier to escaping fluids have been conducted, which this research seeks to expand upon. Different vertical regolith simulant plug diameters and heights were tested under vacuum with dry nitrogen to observe leak rates and approximate steady state pressure gradient equilibria. The effect of absolute ambient pressure was also studied by repeating tests at incremental pressures ranging from 10e-5 Torr up to 1 atm to corroborate ambient bench tests from previous work. The impact of regolith dynamics was addressed to emulate continuous-feed regolith reaction processes by measuring leak rates through continuously draining simulant columns. OB-1 lunar highlands regolith simulant was used. Experimental Setup: Regolith simulant columns were constructed using a motorized butterfly valve separating upper acrylic tubes of various diameters from a larger, lower aluminum pipe plenum (See Figure 1). The butterfly valve was cracked open such that gas could freely pass through whereas regolith would bridge and stay suspended as a cohesive plug above in the acrylic portion. These assemblies were loaded into a vacuum chamber, and a compressed dry nitrogen line was routed into the lower plenum. Pressure transducers measured the absolute pressure of the lower plenum, which was compared to absolute chamber pressure to monitor the pressure gradient across the regolith simulant. A precision mass flow controller enabled fine control of plenum pressure. The plenum pressure was quasi-statically increased to set points informed by previous work [1] before shutting off the gas supply to allow the now pressurized gas volume to dissipate through the simulant into the chamber in what was referred to as a ‘leak test.’ In a separate set of tests, the pressure was allowed to quasi-statically build until visual disturbances in the soil were observed via remote camera feeds. Initial leak rate tests were repeated on the disturbed soil to observe changes in leak rates between initial as-poured and post-bubbling soil conditions. This test schedule was applied to simulant columns of three different diameters (approximately 2, 4, and 6 inches) as well as two different heights (around 8 and 16 inches) and was repeated at least three times for each configuration. Plenums were also pressurized while the butterfly valves were opened slightly further to facilitate slow, controlled, constant flowrate draining of the simulant to observe the impact that continuous-feed systems might have on leak rate through the regolith column. Finally, the regolith columns were reset and refilled and static leak rate tests were repeated approximately every decade in ambient pressure from 10e-5 Torr up to ambient conditions to observe the impact of transitioning out of the molecular flow regime on regolith column seal performance. Analysis: Trends with respect to each factor examined were constructed and reported alongside commentary on the most likely responsible physical phenomena. Confidence intervals were applied to the predictive findings of the data by quantifying instrumentation error and accounting for probabilistic impacts of curve fitting the generic exponential function onto pressure decay data. The leak rate is assumed directly proportional to the exponential term coefficient, while the steady-state static pressure gradient is assumed to be the asymptotic limit of each curve fit. Finally, a generic model developed by Ogino et al. [2] and later tuned for ambient testing was re-tuned using vacuum data to estimate leak rates on the lunar surface. Results: Pressure decay rates decreased up to 27-fold under vacuum when compared to ambient pressure, as shown in Figure 2. Simulant column diameter was found to exponentially correlate to both regolith column leak rate and steady-state equilibrium pressure delta. Height was found to be linearly related to leak rate –doubling the regolith column height consistently yielded around a 40% reduction in leak rate. Dynamic regolith draining was found to slightly increase leak rate, although to a lower degree than expected. Conclusion: Because of the transition into molecular gas flow through regolith, vacuum testing is required to properly estimate performance. Regolith columns should be designed as narrow as possible to avoid bridging and minimize leak rate, and as tall as is feasible to both further reduce leak rate and to help prevent bubbling, which has been shown to degrade the quality of the regolith seal. Disrupted soil was found to exhibit higher leak rates than pristine, as-poured soil, indicating the need to consider the impact of recovery from depressurization events. Regolith columns appear equally feasible for both dosed and continuous-feed reactors.

ISRU↗
NASA NTRSDate not supplied

Evaluating the performance of portable air filter walls for the James Webb Space Telescope launch campaign

The James Webb Space Telescope (JWST) launched from the Centre Spatial Guyanais (CSG) in December 2021. JWST’s requirements permitted processing in International Organization for Standardization (ISO) Class 7 or better facilities, but CSG was only equipped with ISO Class 8 facilities. To temporarily upgrade the air cleanliness in the Payload Processing Facility, Fueling Hall, and Final Assembly Building Encapsulation Hall, NASA provided two portable High Efficiency Particulate Air (HEPA) and carbon filter walls that were used in each location. The walls were comprised of stacks of two modules high and arranged in push-push configurations as shown to be most effective via Computational Fluid Dynamics simulations of expected floor layouts in each facility. After delivery to NASA’s Goddard Space Flight Center in 2020, the walls underwent initial verification measurements inside a cleanroom and validation testing in an uncontrolled area to quantify their improvement of air cleanliness and particle and molecular fallout. Validation testing showed improvements of 83-99% for airborne particle counts, 79-91% for particle fallout, and 50-90% for molecular fallout. The particle improvements were applied to the contamination budget analysis that tracked current and predicted future cleanliness against End-of-Life requirements for JWST’s critical surfaces. At CSG, the walls successfully maintained an ISO Class 7 environment or better within their envelope in each location, despite their presence in ISO Class 8 facilities with dense integration operations.

HEPA, Contamination Control, Filtration↗
NASA NTRS2022

Evaluating the Performance of Portable Air Filter Walls for the James Webb Space Telescope Launch Campaign

The James Webb Space Telescope (JWST) launched from the Centre Spatial Guyanais (CSG) in December 2021. JWST’s requirements permitted processing in International Organization for Standardization (ISO) Class 7 or better facilities, but CSG was only equipped with ISO Class 8 facilities. To temporarily upgrade the air cleanliness in the Payload Processing Facility, Fueling Hall, and Final Assembly Building Encapsulation Hall, NASA provided two portable High Efficiency Particulate Air (HEPA) and carbon filter walls that were used in each location. The walls were comprised of stacks of two modules high and arranged in push-push configurations as shown to be most effective via Computational Fluid Dynamics simulations of expected floor layouts in each facility. After delivery to NASA’s Goddard Space Flight Center in 2020, the walls underwent initial verification measurements inside a cleanroom and validation testing in an uncontrolled area to quantify their improvement of air cleanliness and particle and molecular fallout. Validation testing showed improvements of 83-99% for airborne particle counts, 79-91% for particle fallout, and 50-90% for molecular fallout. The particle improvements were applied to the contamination budget analysis that tracked current and predicted future cleanliness against End-of-Life requirements for JWST’s critical surfaces. At CSG, the walls successfully maintained an ISO Class 7 environment or better within their envelope in each location, despite their presence in ISO Class 8 facilities with dense integration operations.

HEPA, Contamination Control, Filtration↗
NASA NTRS1988

Fluid dynamic modeling and numerical simulation of low-density hypersonic flow

The concept of a viscous shock-layer and several related versions of continuum theories/methods are examined for their adequacy as a viable framework to study flow physics and aerothermodynamics of relevance to sustained hypersonic flights. Considering the flat plate at angle of attack, or the wedge, as a generic example for the major aerodynamic component of a hypersonic vehicle, the relative importance of the molecular-transport effects behind the shock (in the form of the 'shock slip') and the wall-slip effects are studied. In the flow regime where the shock-transition-zone thickness remains small compared to the shock radius of curvature, a quasi-one-dimensional shock structure under the Burnett/thirteen-moment approximation, as well as particulate/collisional models, can be consistently developed. The fully viscous version of the shock-layer model is shown to provide the crucial boundary condition downstream the shock in this case. The gas-kinetic basis of the continuum description for the flow behind the bow shock, and certain features affecting the non-equilibrium flow chemistry, are also discussed.

Cheng, H. K.↗
NASA NTRS2002

On the Formation of Massive Stars

We calculate numerically the collapse of slowly rotating, nonmagnetic, massive molecular clumps of masses 30,60, and 120 Stellar Mass, which conceivably could lead to the formation of massive stars. Because radiative acceleration on dust grains plays a critical role in the clump's dynamical evolution, we have improved the module for continuum radiation transfer in an existing two-dimensional (axial symmetry assumed) radiation hydrodynamic code. In particular, rather than using "gray" dust opacities and "gray" radiation transfer, we calculate the dust's wavelength-dependent absorption and emission simultaneously with the radiation density at each wavelength and the equilibrium temperatures of three grain components: amorphous carbon particles. silicates, and " dirty ice " -coated silicates. Because our simulations cannot spatially resolve the innermost regions of the molecular clump, however, we cannot distinguish between the formation of a dense central cluster or a single massive object. Furthermore, we cannot exclude significant mass loss from the central object(s) that may interact with the inflow into the central grid cell. Thus, with our basic assumption that all material in the innermost grid cell accretes onto a single object. we are able to provide only an upper limit to the mass of stars that could possibly be formed. We introduce a semianalytical scheme for augmenting existing evolutionary tracks of pre-main-sequence protostars by including the effects of accretion. By considering an open outermost boundary, an arbitrary amount of material could, in principal, be accreted onto this central star. However, for the three cases considered (30, 60, and 120 Stellar Mass originally within the computation grid), radiation acceleration limited the final masses to 3 1.6, 33.6, and 42.9 Stellar Mass, respectively, for wavelength-dependent radiation transfer and to 19.1, 20.1, and 22.9 Stellar Mass. for the corresponding simulations with gray radiation transfer. Our calculations demonstrate that massive stars can in principle be formed via accretion through a disk. The accretion rate onto the central source increases rapidly after one initial free-fall time and decreases monotonically afterward. By enhancing the nonisotropic character of the radiation field, the accretion disk reduces the effects of radiative acceleration in the radial direction - a process we call the "flashlight effect." The flashlight effect is further amplified in our case by including the effects of frequency-dependent radiation transfer. We conclude with the warning that a careful treatment of radiation transfer is a mandatory requirement for realistic simulations of the formation of massive stars.

Yorke, Harold W.↗
NASA NTRS1993

Viewpoint 9--molecular structure of aqueous interfaces

In this review we summarize recent progress in our understanding of the structure of aqueous interfaces emerging from molecular level computer simulations. It is emphasized that the presence of the interface induces specific structural effects which, in turn, influence a wide variety of phenomena occurring near the phase boundaries. At the liquid-vapor interface, the most probable orientations of a water molecule is such that its dipole moment lies parallel to the interface, one O-H bond points toward the vapor and the other O-H bond is directed toward the liquid. The orientational distributions are broad and slightly asymmetric, resulting in an excess dipole moment pointing toward the liquid. These structural preferences persist at interfaces between water and nonpolar liquids, indicating that the interactions between the two liquids in contact are weak. It was found that liquid-liquid interfaces are locally sharp but broadened by capillary waves. One consequence of anisotropic orientations of interfacial water molecules is asymmetric interactions, with respect to the sign of the charge, of ions with the water surface. It was found that even very close to the surface ions retain their hydration shells. New features of aqueous interfaces have been revealed in studies of water-membrane and water-monolayer systems. In particular, water molecules are strongly oriented by the polar head groups of the amphiphilic phase, and they penetrate the hydrophilic head-group region, but not the hydrophobic core. At infinite dilution near interfaces, amphiphilic molecules exhibit behavior different from that in the gas phase or in bulk water. This result sheds new light on the nature of hydrophobic effect in the interfacial regions. The presence of interfaces was also shown to affect both equilibrium and dynamic components of rates of chemical reactions. Applications of continuum models to interfacial problems have been, so far, unsuccessful. This, again, underscores the importance of molecular-level information about interfaces.

Review, Tutorial↗
NASA NTRS2004

A Massively Parallel Hybrid Dusty-Gasdynamics and Kinetic Direct Simulation Monte Carlo Model for Planetary Applications

In order to understand the global structure, dynamics, and physical and chemical processes occurring in the upper atmospheres, exospheres, and ionospheres of the Earth, the other planets, comets and planetary satellites and their interactions with their outer particles and fields environs, it is often necessary to address the fundamentally non-equilibrium aspects of the physical environment. These are regions where complex chemistry, energetics, and electromagnetic field influences are important. Traditional approaches are based largely on hydrodynamic or magnetohydrodynamic (MHD) formulations and are very important and highly useful. However, these methods often have limitations in rarefied physical regimes where the molecular collision rates and ion gyrofrequencies are small and where interactions with ionospheres and upper neutral atmospheres are important. At the University of Michigan we have an established base of experience and expertise in numerical simulations based on particle codes which address these physical regimes. The Principal Investigator, Dr. Michael Combi, has over 20 years of experience in the development of particle-kinetic and hybrid kinetichydrodynamics models and their direct use in data analysis. He has also worked in ground-based and space-based remote observational work and on spacecraft instrument teams. His research has involved studies of cometary atmospheres and ionospheres and their interaction with the solar wind, the neutral gas clouds escaping from Jupiter s moon Io, the interaction of the atmospheres/ionospheres of Io and Europa with Jupiter s corotating magnetosphere, as well as Earth s ionosphere. This report describes our progress during the year. The contained in section 2 of this report will serve as the basis of a paper describing the method and its application to the cometary coma that will be continued under a research and analysis grant that supports various applications of theoretical comet models to understanding the inner comae of comets (grant NAGS- 13239 from the Planetary Atmospheres program).

Combi, Michael R.↗
NASA NTRS1993

Laser diagnostics for microgravity droplet studies

Rapid advances have recently been made in numerical simulation of droplet combustion under microgravity conditions, while experimental capabilities remain relatively primitive. Calculations can now provide detailed information on mass and energy transport, complex gas-phase chemistry, multi-component molecular diffusion, surface evaporation and heterogeneous reaction, which provides a clearer picture of both quasi-steady as well as dynamic behavior of droplet combustion. Experiments concerning these phenomena typically result in pictures of the burning droplets, and the data therefrom describe droplet surface regression along with flame and soot shell position. With much more precise, detailed, experimental diagnostics, significant gains could be made on the dynamics and flame structural changes which occur during droplet combustion. Since microgravity experiments become increasingly more expensive as they progress from drop towers and flights to spaceborne experiments, there is a great need to maximize the information content from these experiments. Sophisticated measurements using laser diagnostics on individual droplets and combustion phenomena are now possible. These include measuring flow patterns and temperature fields within droplets, vaporization rates and vaporization enhancement, radical species profiling in flames and gas-phase flow-tagging velocimetry. Although these measurements are sophisticated, they have undergone maturation to the degree where with some development, they are applicable to studies of microgravity droplet combustion. This program beginning in September of 1992, will include a series of measurements in the NASA Learjet, KC-135 and Drop Tower facilities for investigating the range of applicability of these diagnostics while generating and providing fundamental data to ongoing NASA research programs in this area. This program is being conducted in collaboration with other microgravity investigators and is aimed toward supplementing their experimental efforts.

Winter, Michael↗
NASA NTRS1993

Time-dependent Computational Studies of Premixed Flames in Microgravity

This report describes the research performed at the Center for Reactive Flow and Dynamical Systems in the Laboratory for Computational Physics and Fluid Dynamics, at the Naval Research Laboratory, in support of NASA Microgravity Science and Applications Program. The primary focus of this research is on investigating fundamental questions concerning the propagation and extinction of premixed flames in earth gravity and in microgravity environments. Our approach is to use detailed time-dependent, multispecies, numerical models as tools to simulate flames in different gravity environments. The models include a detailed chemical kinetics mechanism consisting of elementary reactions among the eight reactive species involved in hydrogen combustion, coupled to algorithms for convection, thermal conduction, viscosity, molecular and thermal diffusion, and external forces. The external force, gravity, can be put in any direction relative to flame propagation and can have a range of values. Recently more advanced wall boundary conditions such as isothermal and no-slip have been added to the model. This enables the simulation of flames propagating in more practical systems than before. We have used the numerical simulations to investigate the effects of heat losses and buoyancy forces on the structure and stability of flames, to help resolve fundamental questions on the existence of flammability limits when there are no external losses or buoyancy forces in the system, to understand the interaction between the various processes leading to flame instabilities and extinguishment, and to study the dynamics of cell formation and splitting. Our studies have been able to bring out the differences between upward- and downward-propagating flames and predict the zero-gravity behavior of these flames. The simulations have also highlighted the dominant role of wall heat losses in the case of downward-propagating flames. The simulations have been able to qualitatively predict the formation of multiple cells and the cessation of cell-splitting. Our studies have also shown that some flames in a microgravity environment can be extinguished due to a chemical instability and without any external losses. However, further simulations are needed to more completely understand upward-propagating and zero-gravity flames as well as to understand the potential effect of radiative heat losses.

Kailasanath, K.↗
NASA NTRS1992

Properties of thermospheric gravity waves on earth, Venus and Mars

A spectral model with spherical harmonics and Fourier components that can simulate atmospheric perturbations in the global geometry of a multiconstituent atmosphere is presented. The boundaries are the planetary surface where the transport velocities vanish and the exobase where molecular heat conduction and viscosity dominate. The time consuming integration of the conservation equations is reduced to computing the transfer function (TF) which describes the dynamic properties of the medium divorced from the complexities in the temporal and horizontal variations of the excitation source. Given the TF, the atmospheric response to a chosen source distribution is then obtained in short order. Theoretical studies are presented to illuminate some properties of gravity waves on earth, Venus and Mars.

Mayr, H. G.↗
NASA NTRS1999

Energy Minimization of Molecular Features Observed on the (110) Face of Lysozyme Crystals

Molecular dynamics and energy minimization have been carried out using the program XPLOR to check the plausibility of a model lysozyme crystal surface. The molecular features of the (110) face of lysozyme were observed using atomic force microscopy (AFM). A model of the crystal surface was constructed using the PDB file 193L, and was used to simulate an AFM image. Molecule translations, van der Waals radii, and assumed AFM tip shape were adjusted to maximize the correlation coefficient between the experimental and simulated images. The highest degree of 0 correlation (0.92) was obtained with the molecules displaced over 6 A from their positions within the bulk of the crystal. The quality of this starting model, the extent of energy minimization, and the correlation coefficient between the final model and the experimental data will be discussed.

Perozzo, Mary A.↗
NASA NTRS2020

Inter-species molecular attraction effect in the development of a two-species mixing layer

Simulations of fluid mixing occurring at high-pressures mandate the use of real-fluid equations of state to capture the effect of boh intermolecular repulsive forces and attractive forces which are neglected in perfect gases. Dedicated mixing rules account for these forces by providing a generic mapping of the mixture state-space onto a pure fluid domain. However, the specific inter-species molecular forces depend on the particular characteristics of the molecular pairs under consideration, and typically require the knowledge of binary interaction coefficients k_{αβ}. The impact of k_{αβ} on a flow field is as of now unclear; further, k_{αβ} is unknown for many molecular pairs and when unknown, set to be null. This study addresses the impact of k_{αβ} on the temporal evolution of a real-fluid mixing layer and uses Direct Numerical Simulation (DNS) to explore this impact. The results show differences between augmented attraction (k_{αβ}<0) and diminished attraction (k_{αβ}>0), affecting both fluid dynamics and diffusion processes. Specifically, in a binary mixing layer, it is observed that augmented attraction leads to delayed transition and mixing layer growth, manifested in the momentum layer thickness. The fractal dimension, which is a manifestation of interface corrugation, is calculated. These results provide an hitherto undocumented mechanism affecting the development of mixing layers.

Banuti, Daniel↗
NASA NTRS1988

The formation of interstellar jets

The formation of interstellar jets by convergence of supersonic conical flows and the further dynamical evolution of these jets are investigated theoretically by means of numerical simulations. The results are presented in extensive graphs and characterized in detail. Strong radiative cooling is shown to result in jets with Mach numbers 2.5-29 propagating to lengths 50-100 times their original widths, with condensation of swept-up interstellar matter at Mach 5 or greater. The characteristics of so-called molecular outflows are well reproduced by the simulations of low-Mach-number and quasi-adiabatic jets.

Tenorio-Tagle, G.↗
NASA NTRS2011

Time Domain Simulations of Arm Locking in LISA

Arm locking is a technique that has been proposed for reducing laser frequency fluctuations in the Laser Interferometer Space Antenna (LISA). a gravitational-wave observatory sensitive' in the milliHertz frequency band. Arm locking takes advantage of the geometric stability of the triangular constellation of three spacecraft that comprise LISA to provide a frequency reference with a stability in the LISA measurement band that exceeds that available from a standard reference such as an optical cavity or molecular absorption line. We have implemented a time-domain simulation of arm locking including the expected limiting noise sources (shot noise, clock noise. spacecraft jitter noise. and residual laser frequency noise). The effect of imperfect a priori knowledge of the LISA heterodyne frequencies and associated "pulling" of an arm locked laser is included. We find that our implementation meets requirements both on the noise and dynamic range of the laser frequency.

Thorpe, J. I.↗
NASA NTRS2022

Development of an Effective Finite-rate Oxidation Model for NuSil-coated Charred Carbon Preform Ablators

Recently, a detailed effective finite-rate surface chemistry model was developed for the oxidation of FiberForm [1] using the molecular beam experimental data of Poovathingal et al., [2]. FiberForm is the major building block of the thermal protection system (TPS) material Phenolic Impregnated Carbon Ablator (PICA), commonly used by NASA. The surface chemistry model consists of detailed surface reaction mechanisms such as adsorption, desorption, and several types of Langmuir-Hinshelwood (LH) reactions to characterize the oxygen-carbon interactions at the surface. This model provides excellent agreement with the experimental data for oxidation product compositions and corresponding translational energy distributions. Further, an effective oxidation model was constructed that captures the equivalent interaction of oxygen inside the microstructure (including multiple surface collisions) via a modified reactivity for a smooth wall boundary condition. This enables the use of this model directly into Computational Fluid Dynamics (CFD) codes and Material Response (MR) codes to accurately simulate the gas–surface interactions within FiberForm without using the detailed micro-structure. However, this effective model is valid only for the virgin FiberForm. As the TPS material undergoes ablation, the preform carbon burns and turns into char. In addition, PICA is also coated with a protective silicon coating called NuSil for the purpose of mitigating the spread of phenolic dust, and limit contamination during clean room operations. Fig. 1 shows a X-ray microtomography image of a charred NuSil-coated PICA. The NuSil layer introduces species containing silicon into the product mixture. Further, the reactivity of the carbon within the char layer is different from the virgin FiberForm as shown in Fig. 2. Recently a new set of molecular beam experiments were performed on this NuSil-coated TPS material [3] with the same type of oxygen beam used in the previous experiments. Using the latest experimental data, the previously developed effective model will be extended to account for the charred carbon as well as the NuSil coating. Finally, this new effective model with three phases – preform carbon, char, and NuSil; will be compared and validated against the experimental product compositions.

K Swaminathan Gopalan↗