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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Further Study of near Solidus Intergranular Cracking in Inconel 718

A series of tests, performed to determine the strain necessary to initiate intergranular cracking in Inconel 718 as a function of temperature, contained enough scatter near the melting temperature that questions remained as to the best curve of curves to fit to the data. Fracture surface analysis showed that the scatter was due to incipient melting in the grain boundary region. The melting contributed to low fracture strain but had only a small on the incipient cracking strain. Gleeble tests, which could be interrupted by water quenching, were used to study the incipient intergranular melting of Inconel 718. This modified weld simulation test provided a sufficiently rapid quench to preserve the intergranular microstructure created during incipient melting. This structure was studied both microscopically and with energy dispensive X-ray analysis. The implications of incipient melting and low-strain incipient cracking on the development of microfissuring envelopes are discussed.

Thompson, R. G.↗
NASA NTRS2016

Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties

Next generation ablative thermal protection systems are expected to consist of 3D woven composite architectures. It is well known that composites can be tailored to achieve desired mechanical and thermal properties in various directions and thus can be made fit-for-purpose if the proper combination of constituent materials and microstructures can be realized. In the present work, the first, multiscale, atomistically-informed, computational analysis of mechanical and thermal properties of a present day - Carbon/Phenolic composite Thermal Protection System (TPS) material is conducted. Model results are compared to measured in-plane and out-of-plane mechanical and thermal properties to validate the computational approach. Results indicate that given sufficient microstructural fidelity, along with lowerscale, constituent properties derived from molecular dynamics simulations, accurate composite level (effective) thermo-elastic properties can be obtained. This suggests that next generation TPS properties can be accurately estimated via atomistically informed multiscale analysis.

Materials Science↗
NASA NTRS2022

Simulation and Scaling of the Turbulent Vertical Heat Transport and Deep-Cycle Turbulence Across the Equatorial Pacific Cold Tongue

Microstructure observations in the Pacific cold tongue reveal that strong turbulence often penetrates into the thermocline producing hundreds of W/m2 of downward heat transport during nighttime and early morning. However, virtually all observations of this deep-cycle turbulence (DCT) are from 0◦N,140◦W. Here, a hierarchy of ocean process simulations including submesoscale-permitting regional models and turbulence-permitting large eddy simulations (LES) embedded in a regional model provide insight into DCT at and beyond 0◦N,140◦W. A regional hindcast quantifies the spatio-temporal variability of subsurface turbulent heat fluxes throughout the cold tongue from 1999-2016. Climatologically, the mean heat flux is strongest (∼100W/m2) within2◦ of the equator. The heat flux is slightly (∼10 W/m2) stronger in the northern than southern hemisphere throughout the cold tongue. The seasonal cycle of the heat flux, which is not everywhere aligned with the surface flux, ranges from 150 W/m2 near the equator to 30 W/m2 and 10 W/m2 at 4◦N and S respectively. Aseasonal variability of turbulent heat fluxes is logarithmically distributed and temporally uncorrelated with surface heat fluxes. The aseasonal variability of turbulence is highlighted in 34-day LES of Boreal autumn at 0◦N and 3◦N,140◦W. Intense DCT occurs frequently above the undercurrent at 0◦N and intermittently at 3◦N. Daily-mean heat fluxes scale with the bulk vertical shear and the wind stress, which together explain ∼90% of the daily variance across both LES. Observational validation of the scaling at 0◦N,140◦W is encouraging, but observations beyond 0◦N,140◦W can facilitate needed refinement of mixing parameterization in ocean models.

Simulation↗
NASA NTRS1994

Direct numerical simulation of sheared turbulent flow

The summer assignment to study sheared turbulent flow was divided into three phases which were: (1) literature survey, (2) computational familiarization, and (3) pilot computational studies. The governing equations of fluid dynamics or Navier-Stokes equations describe the velocity, pressure, and density as functions of position and time. In principle, when combined with conservation equations for mass, energy, and thermodynamic state of the fluid a determinate system could be obtained. In practice the Navier-Stokes equations have not been solved due to the nonlinear nature and complexity of these equations. Consequently, the importance of experiments in gaining insight for understanding the physics of the problem has been an ongoing process. Reasonable computer simulations of the problem have occured as the computational speed and storage of computers has evolved. The importance of the microstructure of the turbulence dictates the need for high resolution grids in extracting solutions which contain the physical mechanisms which are essential to a successful simulation. The recognized breakthrough occurred as a result of the pioneering work of Orzag and Patterson in which the Navier-Stokes equations were solved numerically utilizing a time saving toggling technique between physical and wave space, known as a spectral method. An equally analytically unsolvable problem, containing the same quasi-chaotic nature as turbulence, is known as the three body problem which was studied computationally as a first step this summer. This study was followed by computations of a two dimensional (2D) free shear layer.

Harris, Vascar G.↗
NASA NTRS2012

Finite Element Models for Electron Beam Freeform Fabrication Process

Electron beam freeform fabrication (EBF3) is a member of an emerging class of direct manufacturing processes known as solid freeform fabrication (SFF); another member of the class is the laser deposition process. Successful application of the EBF3 process requires precise control of a number of process parameters such as the EB power, speed, and metal feed rate in order to ensure thermal management; good fusion between the substrate and the first layer and between successive layers; minimize part distortion and residual stresses; and control the microstructure of the finished product. This is the only effort thus far that has addressed computer simulation of the EBF3 process. The models developed in this effort can assist in reducing the number of trials in the laboratory or on the shop floor while making high-quality parts. With some modifications, their use can be further extended to the simulation of laser, TIG (tungsten inert gas), and other deposition processes. A solid mechanics-based finite element code, ABAQUS, was chosen as the primary engine in developing these models whereas a computational fluid dynamics (CFD) code, Fluent, was used in a support role. Several innovative concepts were developed, some of which are highlighted below. These concepts were implemented in a number of new computer models either in the form of stand-alone programs or as user subroutines for ABAQUS and Fluent codes. A database of thermo-physical, mechanical, fluid, and metallurgical properties of stainless steel 304 was developed. Computing models for Gaussian and raster modes of the electron beam heat input were developed. Also, new schemes were devised to account for the heat sink effect during the deposition process. These innovations, and others, lead to improved models for thermal management and prediction of transient/residual stresses and distortions. Two approaches for the prediction of microstructure were pursued. The first was an empirical approach involving the computation of thermal gradient, solidification rate, and velocity (G,R,V) coupled with the use of a solidification map that should be known a priori. The second approach relies completely on computer simulation. For this purpose a criterion for the prediction of morphology was proposed, which was combined with three alternative models for the prediction of microstructure; one based on solidification kinetics, the second on phase diagram, and the third on differential scanning calorimetry data. The last was found to be the simplest and the most versatile; it can be used with multicomponent alloys and rapid solidification without any additional difficulty. For the purpose of (limited) experimental validation, finite element models developed in this effort were applied to three different shapes made of stainless steel 304 material, designed expressly for this effort with an increasing level of complexity. These finite element models require large computation time, especially when applied to deposits with multiple adjacent beads and layers. This problem can be overcome, to some extent, by the use of fast, multi-core computers. Also, due to their numerical nature coupled with the fact that solid mechanics- based models are being used to represent the material behavior in liquid and vapor phases as well, the models have some inherent approximations that become more pronounced when dealing with multi-bead and multi-layer deposits.

Chandra, Umesh↗
NASA NTRS2012

Solar Ion Sputter Deposition in the Lunar Regolith: Experimental Simulation Using Focused-Ion Beam Techniques

As regions of the lunar regolith undergo space weathering, their component grains develop compositionally and microstructurally complex outer coatings or "rims" ranging in thickness from a few 10 s to a few 100's of nm. Rims on grains in the finest size fractions (e.g., <20 m) of mature lunar regoliths contain optically-active concentrations of nm size metallic Fe spherules, or "nanophase Fe(sup o)" that redden and attenuate optical reflectance spectral features important in lunar remote sensing. Understanding the mechanisms for rim formation is therefore a key part of connecting the drivers of mineralogical and chemical changes in the lunar regolith with how lunar terrains are observed to become space weathered from a remotely-sensed point of view. As interpreted based on analytical transmission electron microscope (TEM) studies, rims are produced from varying relative contributions from: 1) direct solar ion irradiation effects that amorphize or otherwise modify the outer surface of the original host grain, and 2) nanoscale, layer-like, deposition of extrinsic material processed from the surrounding soil. This extrinsic/deposited material is the dominant physical host for nanophase Fe(sup o) in the rims. An important lingering uncertainty is whether this deposited material condensed from regolith components locally vaporized in micrometeorite or larger impacts, or whether it formed as solar wind ions sputtered exposed soil and re-deposited the sputtered ions on less exposed areas. Deciding which of these mechanisms is dominant, or possibility exclusive, has been hampered because there is an insufficient library of chemical and microstructural "fingerprints" to distinguish deposits produced by the two processes. Experimental sputter deposition / characterization studies relevant to rim formation have particularly lagged since the early post-Apollo experiments of Hapke and others, especially with regard to application of TEM-based characterization techniques. Here we report on a novel design for simulating solar ion sputter deposition in the lunar regolith, with characterization of the resulting sputter deposits by an array of advanced analytical TEM techniques.

Christoffersen, R.↗
NASA NTRS1982

Durability of spacecraft materials

Research efforts are reviewed on the space durability of materials, including radiation effects on polymer matrix composites and films, dimensional stability of polymer matrix composites and tension-stabilized cables, and thermal control coatings. Research to date has concentrated on establishing a fundamental understanding of space environmental effects on current graphite-reinforced composites and polymer systems, and development of analytical models to explain observed changes in mechanical, physical, and optical properties. As a result of these research efforts, new experimental facilities have been developed to simulate the space environment and measure the observed property changes. Chemical and microstructural analyses have also been performed to establish damage mechanisms and the limits for accelerated testing. The implications of these results on material selection and system performance are discussed and additional research needs and opportunities in the area of tougher resin/matrix and metal/matrix composites are identified.

Darrel R. Tenney↗
NASA NTRS1983

Spacecraft materials research: A NASA perspective

This paper reviews NASA's spacecraft materials research program. This is a multicenter program and includes research in the following areas: space environmental effects on materials, low expansion composites, fatigue and fracture of composites, thermal control coatings, and contamination. Research to date has concentrated on current graphite-reinforced composites and polymer systems, and developing analytical models to explain observed changes in mechanical, physical, and optical properties. As a result of these research efforts, new experimental facilities have been developed to simulate the space environment and measure the observed property changes. Chemical and microstructural analyses have also been performed to establish damage mechanisms and the limits for accelerated testing. The implications of these results on material selection and system performance are discussed, and additional research needs and opportunities in the area of tougher resin/matrix and metal/matrix composites are identified.

Tenny, D. R.↗
NASA NTRS2015

Compositional and Microstructural Evolution of Olivine During Pulsed Laser Irradiation: Insights Based on a FIB/Field-Emission TEM Study

Introduction: The use of pulsed laser irradiation to simulate the short duration, high-energy conditions characteristic of micrometeorite impacts is now an established approach in experimental space weathering studies. The laser generates both melt and vapor deposits that contain nanophase metallic Fe (npFe(sup 0)) grains with size distributions and optical properties similar to those in natural impact-generated melt and vapor deposits. There remains uncertainty, however, about how well lasers simulate the mechanical work and internal (thermal) energy partitioning that occurs in actual impacts. We are currently engaged in making a direct comparison between the products of laser irradiation and experimental/natural hypervelocity impacts. An initial step reported here is to use analytical TEM is to attain a better understanding of how the microstructure and composition of laser deposits evolve over multiple cycles of pulsed laser irradiation. Experimental Methods: We irradiated pressed-powder pellets of San Carlos olivine (Fo(sub 90)) with up to 99 rastered pulses of a GAM ArF excimer laser. The irradiated surface of the sample were characterized by SEM imaging and areas were selected for FIB cross sectioning for TEM study using an FEI Quanta dual-beam electron/focused ion beam instrument. FIB sections were characterized using a JEOL2500SE analytical field-emission scanning transmission electron microscope (FE-STEM) optimized for quantitative element mapping at less than 10 nm spatial resolutions. Results: In the SEM the 99 pulse pressed pellet sample shows a complex, inhomogeneous, distribution of laser-generated material, largely concentrated in narrow gaps and larger depressions between grains. Local concentrations of npFe0 spherules 0.1 to 1 micrometers in size are visible within these deposits in SEM back-scatter images. Fig. 1 shows bright-field STEM images of a FIB cross-section of a one of these deposits that continuously covers the top and sloping side of an olivine grain. The deposit has 3 microstructurally distinct sub-layers composed of silicate glass with varying modal fractions and size distributions of npFe( sup 0) spherules, along with nanocrystalline silicate material. A relatively thin (50-300 nm) topmost surface layer has a high-concentration of npFe0 spherules 5-20 nm in size. Element mapping shows the layer to be enriched in Fe by a factor of 2.5 relative to the olivine substrate, with Mg and Si depleted by 20% and 10% respectively. This is compositionally complementary to the underlying, middle layer of the deposit that is depleted in Fe, enriched in Mg and has a much lower npFe0 concentration. A third layer of nanocrystalline olivine occurs at the substrate interface. Discussion: The FE-STEM results suggest the topmost layer is a vapor deposit, underlain by a thicker microstructurally complex melt-generated layer. The compositional relations suggest the melt layer was partially vaporized, preferentially losing more volatile elements (e.g., Fe). The vaporized material re-condensed to form the thin, npFe(sup 0)-rich surface deposit during or immediately after the scan cycle. Nanocrystalline olivine that grew within the melt layer as it formed and cooled is similar in volume and microstructure to what we have observed in the impact melt lining of a micrometeorite impact crater in olivine. This suggest the time-temperature relations attained in the laser sample may not be too different from a micrometeorite impact. Our TEM observations, however, do not show evidence for the same level of mechanical dam-age (e.g., fracturing) seen around the natural micrometeorite crater.

Christoffersen, R.↗
NASA NTRS2016

Compositional and Microstructural Evolution of Olivine Under Multiple-Cycle Pulsed Laser Irradiation as Revealed by FIB/Field-Emission TEM

The use of pulsed laser irradiation to simulate the short duration, high-energy conditions characteristic of micrometeorite impacts is now an established approach in experimental space weathering studies. The laser generates both melt and vapor deposits that contain nanophase metallic Fe (npFe(sup 0)) grains with size distributions and optical properties similar to those in natural impact-generated melt and vapor deposits. There remains uncertainty, however, about how well lasers simulate the mechanical work and internal (thermal) energy partitioning that occurs in actual impacts. We are currently engaged in making a direct comparison between the products of laser irradiation and experimental/natural hypervelocity impacts. An initial step reported here is to use analytical SEM and TEM is to attain a better understanding of how the microstructure and composition of laser deposits evolve over multiple cycles of pulsed laser irradiation.

Christoffersen, R.↗
NASA NTRS2024

Investigating Space Weathering of Ryugu Grains Using Electron Microscopy and X-Ray Computed Tomography

The effects of micrometeorite bombardment and solar wind ion irradiation – collectively known as space weathering – alter the microstructural, chemical, and spectral properties of airless surfaces. Characteristics of space weathering include vesiculated textures, amorphous grain rims (upper ~100 nm), and the production of Fe-bearing nanoparticles (npFe). The resulting modifications in the optical properties of the surface regolith include changes in spectral slope and overall reflectance of the surfaces as well as the attenuation of their characteristic absorption bands across VIS-NIR wavelengths. As the surface is continuously exposed to interplanetary space over time, the accrual of these features complicates the interpretation of remote sensing spectral data and the characterization of returned samples. Laboratory experiments that simulate solar wind irradiation and micrometeoroid impacts using carbonaceous analogs have revealed novel and complex microstructural and chemical changes, including the decrease in organic species concentrations and the reduction of Fe 3+ . In 2020, the Japan Aerospace Exploration Agency (JAXA)’s Hayabusa2 mission returned over 5 g of regolith particles from near- Earth C-type asteroid (162173) Ryugu – a unique opportunity to study space weathering on carbonaceous materials. Initial studies have established that the surface morphology and chemical signatures of space weathering in returned samples share characteristics with laser irradiation experiments simulating micrometeoroid bombardment, indicating that impacts are a significant space weathering mechanism operating on Ryugu. Here, we seek to improve our understanding of space weathering of carbonaceous asteroidal regolith grains by characterizing its effects directly on returned samples to determine the nature of space weathering on Ryugu. To do so, we performed coordinated analyses using electron beam techniques and X-ray computed tomography (XCT) to examine the effects of space weathering on grains returned from the surface of Ryugu by the Hayabusa2 mission.

L. E. Melendez↗
NASA NTRS2016

Microstructure Evolution and Durability of Advanced Environmental Barrier Coating Systems for SiC/SiC Ceramic Matrix Composites

Environmental barrier coated SiC-SiC ceramic matrix composites (CMCs) systems will play a crucial role in next generation turbine engines for hot-section component applications because of their ability to significantly increase engine operating temperatures with improved efficiency, reduce engine weight and cooling requirements. Advanced HfO2 and rare earth silicate environmental barrier coatings (EBCs), along with multicomponent hafnium and rare earth silicide EBC bond coats have been developed. The coating degradation mechanisms in the laboratory simulated engine thermal cycling, and fatigue-creep operating environments are also being investigated. This paper will focus on the microstructural and compositional evolutions of an advanced environmental barrier coating system on a SiC-SiC CMC substrate during the high temperature simulated durability tests, by using a Field Emission Gun Scanning Electron Microscopy, Energy Dispersive Spectroscopy (EDS) and Wavelength Dispersive Spectroscopy (WDS). The effects of Calcium-Magnesium-Alumino-Silicate (CMAS) from road sand or volcano-ash deposits on the degradation mechanisms of the environmental barrier coating systems will also be discussed. The detailed analysis results help understand the EBC-CMC system performance, aiming at the durability improvements to achieve more robust, prime-reliant environmental barrier coatings.

ceramic matrix composites↗
NASA NTRSDate not supplied

TPSAS-NF1676L-13792-DND

Extreme structural requirements of future aerospace vehicles motivate the development of new, ultra-durable materials and game-changing methodologies for material certification and sustainment. Computational simulations spanning many orders of magnitude in length and time scales—from the nanoscale of underlying damage processes to the larger scales of continuum cracks—are being developed to support these requirements. Results of these simulations are used to deduce key aspects of material response to loads and environments, including: - The microstructural mechanics that govern metal fatigue crack initiation and growth - The variety and complexity of the dislocation-precipitate interac- tions that underpin plastic behavior and damage evolution - The energetic principles that govern the interaction of water with crack surfaces within a structural component - The mechanics of grain boundary separation Modeling the physics behind these metal fatigue behaviors is extremely complex, and requires intensive, high-fidelity simulations. The knowledge gained through these simulations, however, is forming the keystone for advanced material design and will enable development of more capable, reliable structures for aerospace vehicles.

Jacob Hochhalter↗
NASA NTRSDate not supplied

A Multiphysics Study to Improve Specific Energy of Primary Batteries for Low Temperature Operation for Deep Space Missions

Several lander missions on the outer planets such as Europa, Enceladus, and Titan require electrical power to operate scientific and communication equipment. The traditional power generation methods, such as a photovoltaic array, are not feasible as their efficiency drops significantly at these vast distances. The novel radioisotope power systems are not practical today based on current lander designs and the effectiveness of these systems. To perform in situ science on distant planets, a high specific energy battery (>700 Wh/kg) needs to operate for about 480 hours under cold temperatures (-40C or 0C) [1]. While a primary battery such as Li-CFx can provide high specific energy at room temperature, its specific capacity decreases significantly at low temperatures. One of the causes for this drop is low ion and electrical conductivity, and slower reaction kinetics. Slower transport and facile kinetics lead to an increase in the battery’s resistance and higher voltage drops during the cell operation, thus reducing specific capacity. Both the transport and kinetics show a strong dependence on temperature. Thus, a small temperature rise can lead to an increase in the reaction rate and ion conductivity; since the temperature, cell resistance, and specific capacity are interdependent. A conventional battery model accounts for ohmic, thermodynamic, and, electrochemical, and chemical decomposition heating. The ohmic heating can be controlled by designing a resistive microstructure and varying the ratios of the active materials [2]. The kinetics can be improved by increasing the surface area, reducing the particle size, or adding a catalyst. These parameters are often optimized to achieve high specific energy at room temperatures. A similar optimization study is not available at low temperatures and for a primary (high specific energy) battery. For this presentation, we will explore the effect of geometrical, microstructural, and material properties on optimal specific capacity at low temperatures through multiphysics simulations. The ion transport resistance depends on the porosity and the tortuosity of an electrode and the separator.

M. Mehta↗
NASA NTRS2024

On the Role of Friction and Particle Size Distribution in Granular Packings

Packing of particles in a disordered arrangement has tremendous significance in both condensed matter physics and engineering applications. The last three decades have seen remarkable progress in our understanding of the physics of granular packings that has been largely facilitated by a rapid growth in the power of modern computers. Although granular packings are ubiquitous in diverse natural settings, from clogging of powders in hoppers to the crowding of living cells, a significant motivation for modeling granular packings has emerged from a proposal that the transition from a fluid-like state to a solid-like state of a granular material upon increasing volume fraction, called jamming, is intimately related to the origins of glass transition in thermal systems. As such, a majority of modeling efforts have focused on the jamming behavior of an idealized granular material: frictionless, monodisperse sphere. While such studies have illuminated the rich physics of jamming, granular materials in nature and engineering practice are rarely frictionless or monodisperse. The analogous research on the packing of these ‘real-world’ granular materials is still not fully developed. Besides requiring the exploration of a huge parameter space, three key computational considerations have inhibited their modeling: (i) traditional computational methods are not adept at simulating mechanically-stable packings of frictional particles near the jamming transition; (ii) standard algorithms of contact detection in discrete element methods are impractical to simulate granular packings with a wide distribution of particle sizes; (iii) a lack of well-established contact mechanics models of friction that can accurately reproduce experimental data. This chapter will review the latest computational advances to simulate the jamming of size-dispersed frictional particles, and describe the rich microstructural diversity that emerges in their packings.

granular↗
NASA NTRSDate not supplied

DSMC Simulation of Etch Pit Formation Through Active Sites in Carbon Fiber Micro-Structures

Erosion of carbon due to oxidation does not occur uniformly but through localized etch pit formation because of active surface sites. In this work we demonstrate a newly developed capability to capture pitting of carbon fiber microstructures such as FiberForm, which is commonly used as the base material for NASA’s spacecraft ablative thermal protection systems (TPS). The simulations are performed at the meso-scale in order to capture the pit formation and growth using direct simulation Monte Carlo (DSMC), specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. Legacy and latest models both assume uniform reactivity of carbon surface sites with oxygen even at the meso-scale level. However, in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. The defective nature of these sites enhances their reactivity with atmospheric gases compared to the non-defective sites (2-3 orders of magnitude) and are termed as “active sites”. Thus, these sites tend to be the first to react and eventually get removed through the formation of gases such as CO, CO2, and CN. Their removal results in all the neighboring atoms becoming defective, thus leading to chain reaction of localized carbon removal and formation of etch pits. Capturing the formation of pits during the ablation simulation of carbon micro-structures is critical to predicting their structural failure. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various detailed surface reaction mechanisms. We have implemented the capability of a single surface having multiple site sets with different reactivities within this framework. We have used this feature to model the presence of active sites on carbon surfaces, whose reactivity is orders of magnitude higher than that of the passive sites due to the presence of defects. The active site fraction is a property of surface elements within SPARTA and is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we can capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗
NASA NTRS2022

Coupling Carbon Oxidation and Surface Recession in Direct-Simulation Monte Carlo Code, SPARTA

Ablative thermal protection system (TPS) materials for spacecraft are composites that are often made out of carbon-based reinforcement and a polymeric matrix. They endure high-temperature oxidation and surface recession when re-entering Earth’s atmosphere. Ablation is the result of many coupled and competing thermal, mechanical, and chemical phenomena, and it is difficult to isolate the role of each on the overall degradation of the TPS. Here we develop an ablation model for material recession coupled explicitly to finite rate carbon oxidation in complex microstructures. In this work, Stochastic PArallel Rarified-gas Time-accurate Analyzer (SPARTA), a direct-simulation Monte Carlo (DSMC) code, is modified to allow oxidation-driven ablation of implicitly defined carbon surfaces. In SPARTA, implicit surfaces are generated from the grid corner point values via a marching cubes algorithm, therefore creating a new set of surface elements every time ablation is performed. The finite-rate oxidation model developed by Gopalan et. al, was adapted to tally surface reactions and other surface data on a per-grid cell basis. The ablation functionality was also adjusted so once the reactions have occurred, the number of reactions leading to CO formation can be converted to corner point reduction values; therefore, carbon removal is directly proportional to surface recession. We also develop robust algorithms which handle the evolution of the flow cells and solid material regions, including split cells (flow cell divided in two by a solid surface). Finally, we demonstrate our implicit chemistry model for 2D and 3D geometries by producing reaction statistics and detailed visualization of oxidation-induced material recession at the microscale.

V Arias↗