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NASA NTRS2022

Energy Partition at Collisionless Supercritical Quasiperpendicular Shocks

Collisionless shocks in astrophysical plasmas are important thermalizers, converting some of the incident flow energy into thermal energy, and non-thermalizers, partitioning that energy in unequal ways to different particle species, sub-populations thereof, and field components. This partition problem, or equivalently the shock equation of state, lies at the heart of shock physics. Here we employ systematically a framework to capture all the incident and downstream energy fluxes at two example traversals of the Earth’s bow shock by the Magnetospheric Multiscale Mission. Here and traditionally such data has to be augmented by information from other spacecraft, e.g., to provide more accurate measurements of the cold solar wind beam. With some care and fortuitous choices, the energy fluxes are constant, including instantaneous measurements through the shock layer. The dominant incident proton ram energy is converted primarily into downstream proton enthalpy flux, the majority of which is actually carried by a small fraction of suprathermal protons. Fluctuations include both real and instrumental effects. Separating these, resolving the solar wind beam, and other considerations point the way to a dedicated mission to solve this energy partition problem across a full range of plasma and shock conditions.

Steven J Schwartz↗
NASA NTRSDate not supplied

Modeling the Effective Elasticity of Anisotropic Porous Materials

The development and optimization of composite materials designed for thermal protection of NASA’s spacecraft require understanding their physical response to high-enthalpy environments. To predict their macro-scale properties and behavior, high-fidelity 3D simulations are performed at the microscale on realistic representations of these composites. The digital microstructures are generated either synthetically or through X-ray micro-computed tomography reconstructions. One of the main challenges in the prediction of the structural response of heatshield materials is the computation of the effective elasticity of the fibrous composite, as well as the understanding of the deformation and stresses generated at the microscale. These are driven by the fiber layout within the microstructure and the distribution of the infused matrix. In this effort, the micro-mechanical linear elastic behavior of fibrous ablators is modeled using a numerical method based on the Multi-Point Stress Approximation (MPSA) finite volume scheme, a generalization of the more commonly used Multi-Point Flux Approximation (MPFA) that was presented at the 10th Ablation Workshop. To predict the behavior of fibrous and woven architectures, algorithms that compute the local fiber orientation are used. The implementation of the MPSA was verified using analytical solutions, engineering test cases, and compared against legacy Finite Element Analysis (FEA) software. The stress analysis models were then applied to real geometries used by NASA in thermal protection systems such as fibrous preforms and woven materials and the results were compared to experimental data.

Elasticity↗
NASA NTRSDate not supplied

Identification and Study of Validation Level Test Cases for Computational Modeling of Non-Charring Ablators

Computational modeling of Thermal Protection System (TPS) materials, used for aerospace applications, provides numerous advantages in preliminary selection and design of a heatshield material and shape for atmospheric entry vehicles. However, to serve as a reliable tool for prediction of material thermal and ablative behavior, the modeling approach needs to be validated against real experimental and flight data, preferably at a range of applied conditions. The validation study is typically very complex as it requires reliable measured data not only for the material thermal response and surface recession, but also well characterized environmental conditions. The validation problem becomes even more complex when the material thermal response is dictated by multi-physics effects such as solid conduction, in-depth thermal decomposition, pyrolysis gas flow and chemical reactions. The multi-physics effects complicate not only the modeling effort, but also the experimental measurement for validation of various aspects of the highly coupled problem. In this study, an attempt is made to identify suitable experimental data that could serve as a source for validation of material thermal response modeling tools. To reduce the computational complexity, this study focuses only on non-charring ablators, where the material thermal response could be modeled with a single governing equation for solid conduction and the ablation is limited only to the surface of the material. With a well characterized and publicly available experimental data being sparse, the study is limited in presenting test cases for only three materials: camphor, graphite and FiberForm® in the sequence of increased modeling complexity. Graphite is a commonly used TPS material for aerospace applications, both for leading edges of high-speed vehicles and internal insulation of solid rocket motors. FiberForm® is a porous carbon pre-form used in preparation of the well known PICA material Tran et al. [1996]. Inclusion of camphor into the list is conditioned with the relative simplicity in modeling the material thermal and chemical response and the low-enthalpy flow environment. In addition, camphor has been used as a simple test material for study of flow transition behavior by Stock and Ginoux [1973] and assessment of a heatshield shape change at flight relevant conditions by Rotondi et al. [2022]. In this work, the identified experimental data was extracted from the public literature and test cases that yet have been published. As it was found from the review, not a single test case contains an exhaustive set of data that would validate every aspect of the material physics. However, in the data collected, various aspects of the material behavior can be still validated, such as surface and in-depth temperature, amount of recession and a shape change. The identified experimental data for each case is accompanied with a characterized flow environment and simulated boundary conditions predicted by a Data-Parallel Line Relaxation (DPLR) code Wright et al. [1998]. In addition, material thermal response numerical simulations in each test case are performed with Kentucky Aerothermodynamics and Thermal Response System (KATS-MR) Zibitsker et al. [2022] providing a comparative study and a sanity check for the proposed validation data. Sample results from the performed numerical study are shown below. Figure 1 shows distribution of surface heat flux and pressure values on a hemi-cylinder model made of FiberForm® and tested in HyMETS arc-jet facility. The results are shown for the high pressure condition among the two tests. Flow simulation was performed with DPLR code on a quarter of original geometry. In the figure, the quarter shape was mirrored across zx and xy planes to show the complete distribution. Figure 2 shows the material response results for the high pressure case (7500 Pa), simulated with KATS-MR and a comparison to the experimental data for the surface temperature and shape shape. The simulation was performed on a 2-D slice, extracted in the xy plane at the middle of the sample. Figure 3 shows the material response simulation for the low pressure case (3500 Pa) and a comparison to the experimental data for surface temperature and shape change.

ablation↗
NASA NTRS2020

Transition Region Contribution to AIA Observations in the Context of Coronal Heating

We investigate the ratio of coronal and transition region intensity in coronal loops observed by the AtmosphericImaging Assembly(AIA)on the Solar Dynamics Observatory(SDO). Using Enthalpy-based Thermal Evolution ofLoops(EBTEL)hydrodynamic simulations, we model loops with multiple lengths and energyfluxes heatedrandomly by events drawn from power-law distributions with different slopes and minimum delays between eventsto investigate how each of these parameters influences observable loop properties. We generate AIA intensitiesfrom the corona and transition region for each realization. The variations within and between models generatedwith these different parameters illustrate the sensitivity of narrowband imaging to the details of coronal heating.We then analyze the transition region and coronal emission from a number of observed active regions andfindbroad agreement with the trends in the models. In both models and observations, the transition region brightness issignificant, often greater than the coronal brightness in all six“coronal”AIA channels. We also identify an inverserelationship, consistent with heating theories, between the slope of the differential emission measure(DEM)coolward of the peak temperature and the observed ratio of coronal to transition region intensity. These resultshighlight the use of narrowband observations and the importance of properly considering the transition region ininvestigations of coronal heating

S J Schonfeld↗
NASA NTRSDate not supplied

A Warm Garage for a Lunar Rover

Approach: One approach to heating a rover during the lunar night is the so-called thermal wadis concept [1]. This involves heating the regolith with solar concentrators and placing the rover on the heated surface for the night. Since the regolith is heated by a relatively weak heat flux, a high thermal conductivity is required for heating a sufficiently large mass of regolith. However, lunar regolith has a low thermal conductivity. Therefore, the concept involves increasing the conductivity by sintering the regolith, which requires a significant energy input and complex procedures. Here we propose an alternative approach where the low thermal conductivity of regolith is an advantage. Specifically, we propose to use a highly exothermic combustible mixture for heat generation. The mixture pellets are placed in the surface layer of regolith and ignited. The combustion forms condensed products and releases heat, which then slowly spreads to the surrounding regolith. Heat can also be transferred, for example, by heat pipes, into radiant heating surfaces installed on the ground. A greenhouse that transmits sunlight during the day and decreases the radiative heat losses during the night can also be installed. Selection of the Heat-generating Mixture: The reactive mixture should have a high specific energy and generate only condensed products since gases could disturb the regolith layer, carry enthalpy out of the system, and lead to an explosion. There are mixtures, (sometimes called pyrolants) that possess very high specific energies. One example is magnesium-Teflon-Viton mixtures used in flares. However, they produce gases and may cause explosions. Other mixtures that include magnesium cannot be used either because of the high vapor pressure of Mg at temperatures well below the combustion temperature. Recently, mixtures that involve lithium peroxide (Li2O2) have been proposedfor using in space power systems [2]. However, they produce lithium oxide (Li2O), which boils at 2800 K at 1 atm and hence at a lower temperature in vacuum. Fortunately, there exist many mixtures that release a lot of heat and form only condensed products during the combustion. Many such mixtures have been used for self-propagating high-temperature synthesis (SHS) of various materials [3, 4]. For the application discussed here, t itanium/boron (1:2 mole ratio) mixture appears to be particularly promising. The specific energy is 4.0 MJ/kg (1.1 kWh/kg), the adiabatic flame temperature is about 3200 K, and the reaction forms solid titanium diboride (TiB2, melting point: 3500 K). The mixture can be ignited easily with a heated tungsten wire, and it has been used widely as a booster to ignite the main mixture in the SHS process.Estimates: Assuming that specific heat of regolith is 500 J/(kg∙K) [5] and all generated heat is transferred to regolith, 12.5 kg of the Ti/B mixture would increase the temperature of 1000 kg of regolith by 100 K. To evaluate the rate of heat transfer in the regolith, a spherical model was analyzed where the heat released by a 12.5 kg Ti/B core propagates by thermal conduction through a 1000 kg regolith shell with no heat loss from its outer surface. At a bulk density of 1500 kg/m3 [5], the radius of the shell was 54 cm, while the radius of the core was about 11 cm. The calculations were conducted using Thermal Desktop SINDA/FLUINT (Cullimore and Ring Technologies) software at two constant values of bulk thermal conductivityk of the regolith: 0.001 and 0.01 W/(m∙K). The results show that after 14.5 days the core lost 31% of the released heat at the lower k and 77% at the higher k. At a distance of 20 cm from the core surface, the temperature of the regolith increased by only 1 K at the lower k and by 132 K at the higher k. In reality, the regolith near the heat source will be melted, so its thermal conductivity will increase significantly. Nevertheless, the conducted estimates indicate that combustion-based heat generators, placed directly in the regolith, could provide heat during a rather long period such as the lunar night.Conclusion: Heat generators based on gasless combustion of highly energetic reactive mixtures could be installed directly in the surface layer of lunar regolith. Because of the low thermal conductivity of the regolith, such generators would keep thermal energy for days and gradually supply heat to a rover/lander.Acknowledgment: The material presented in this work is based upon the work supported by National Aeronautics and Space Administration (NASA) under Grant #80NSSC20K0293.References: [1] Balasubramaniam R. et al. (2011) J. Thermophys. Heat Trans., 25,130−139. [2] Blair R.G. and Vasu S.S. (2022) Conf. Advanced Power Systems for Deep Space Exploration. [3] Varma A. et al. (1998) Adv. Chem. Eng., 24,79−226. [4] Levashov E.A. et al. (2017) Int. Mater. Rev., 62,203−239. [5] Wood-Robinson R. et al. (2019) J. Geophys. Res. Planets, 124, 1989−2011.

lunar↗
NASA NTRSDate not supplied

Laser Absorption Spectroscopy Measurements of Post-Shock Non-Equilibrium Species in the NASA Ames Electric Arc Shock Tube

The NASA Ames Electric Arc Shock Tube (EAST) is a unique facility capable of generating high enthalpy, shock-heated impulse gas flows representative of the kinetic and radiative conditions encountered by atmospheric entry vehicles. The facility maintains a successful history with emission spectroscopy, providing measurements of absolute radiance upon which various validation studies are anchored. The central objective of this work is to develop a comprehensive tunable diode laser absorption spectroscopy (TDLAS) sensing capability to provide complementary experimental insights to existing emission techniques. More specifically, a fast-scanning TDLAS-based diagnostic targeting the cyano radical (CN) in the near-infrared(near-IR) near 926.6 nm is employed in mixtures of 2.2% CH4in N2by mole for a sweep of incident shock velocities ranging 3.0-5.5 km/s and fill pressures 0.3-1.15 Torr. Laser scan rates up to 500 kHz probe multiple absorption features to provide quantitative measurements of temperature and species number density profiles behind the incident shock. In all instances, the temperature trend is consistent between emission-inferred and TDLAS-inferred measurements. However, at the lower-velocity conditions, there is an appreciable offset between the Data Parallel Line Relaxation Code (DPLR) simulation and experimental measurements. A similar behavior is observed in number density profiles, with emission measurements providing inferences of the CN(B) and CN(A) state, while TDLAS measurements provide an additional inference of the CN(X) state. In the fast-scanned experiments, measurement inferred number densities suggest a much faster production of CN at early times than captured by the model. This discrepancy motivates ongoing, additional spectroscopic and kinetics CN experiments to resolve the accuracy of modeling assumptions.

Efaine Chang↗
NASA NTRSDate not supplied

Stagnation Point Convective Heating Correlations for Entry Into H2/He Atmospheres

New convective heating correlations have been developed over a broad range of entry conditions into H2/He atmospheres. The correlations are based on calculations of stagnation point convective heat fluxes over a large range of velocities, densities, and effective nose radii. The heat fluxes and corresponding flowfields are computed using NASA’s hypersonic computational fluid dynamics code, DPLR. Cases in this study have been computed using both a temperaturelimited, radiative equilibrium wall and a cold wall temperature boundary condition. The results for the scaled heat flux, as a function of the difference in freestream and wall enthalpies, show a clear deviation from the linear trend predicted by the method of Sutton and Graves. Therefore, updated non-linear correlations are proposed for the prediction of stagnation point convective heat fluxes. Generally, these updated correlations predict lower heat loads and therefore smaller required TPS thicknesses when compared to previous correlations for a range of test cases in the Neptune, Saturn, and Uranus atmospheres.

Alex T. Carroll↗
NASA NTRSDate not supplied

Knudsen Effusion Mass Spectrometry: Principles and Applications

Knudsen Effusion Mass Spectrometry (KEMS) is a well-established technique in physical chemistry. First, we discuss the basic principles of the technique. It is based on a small enclosure which sets up a condensed/vapor near equilibria. A small, well-defined orifice allows the vapor to be sampled a mass spectrometer. Although the number of groups utilizing this method has decrease significantly from its height in 1960s, we will show that it is still useful for many problems in physical chemistry, materials science, geology, and nuclear science. Specific examples illustrate its versatility: Measurement of the enthalpy of formation of HfO(g); measurement of activities in the Ti-Al-O and Ni-Al systems; measurement of activities in several rare earth silicate systems; measurement of vapor pressures above olivine; dating of minerals with K/Ar method; and determination of adsorption/desorption behavior on nuclear fission products on graphite. These are only a small sampling of the many applications of this versatile technique.

Mass spectrometry, thermodynamics, high temperatur↗
NASA NTRSDate not supplied

Advances in Entry Modeling for Impact Risk Assessment

A summary of recent advancements in the detailed modeling of asteroid atmospheric entry processes made through NASA’s Asteroid Threat Assessment Project (ATAP) is presented. Understanding, and accurately modeling these processes and their associated uncertainties is critical to predicting all downstream impact effects, such as blast wave and thermal damage footprints. Furthermore, there is (perhaps thankfully) a dearth of empirical data for large impactors of the kind that would pose a threat to human populations, on which to anchor and/or validate models used in risk assessments. Therefore, we must rely heavily on detailed theoretical and numerical modeling to develop robust assessments for decision makers. To that end, ATAP has made some significant progress in advancing the capabilities in this area. Two areas in particular are highlighted in the present work: meteoroid ablation mechanisms, and bolide luminosity. The first research area – meteoroid ablation mechanisms – has focused on performing novel high-enthalpy wind tunnel experiments on meteorites and meteorite analogs, and utilizing the resulting data to develop high-fidelity models for impactor mass loss at scale. These efforts have resulted in several insights. Of note, these data suggest a differential vaporization process where volatiles are liberated preferentially when the asteroidal material is subject to high heat, while refractory components remain in the molten layer on the surface. A numerical model has been developed which considers this phenomena, and its effect on the bulk impactors effective heat of ablation is examined. The second research thrust that is discussed is focused on accurate modeling of impactor radiation phenomena. While another submission to the conference will discuss the application of our approach to thermal ground damage modeling, here, we present an overview of our extensive efforts to utilize available ground- and space-based observations of large bolides (~1m diameter, and above) to inform and validate our detailed modeling approaches. These methods have been shown to accurately reconstruct the detailed spectra for the Benesov bolide, as well as approximate the burn footprint for the Tunguska event. Recent effort has focused on reconciling light curve data from multiple sources (all-sky camera networks, GLM, US government sensors), using our validated model, and providing a calibrated model for luminous efficiency which can then be utilized to infer impactor properties such as shape, mass, and composition. This work will be demonstrated through an exemplar case study focusing on a large bolide event with observational data (e.g. Chelyabinsk, Flensburg, etc.). Finally, our team’s assessment on the current maturity of atmospheric entry models, and priorities for future research will be provided.

ATAP↗
NASA NTRSDate not supplied

Stagnation Point Convective Heating Correlations for Entry Into H2/He Atmospheres

New convective heating correlations have been developed over a broad range of entry conditions into H2/He atmospheres. The correlations are based on calculations of stagnation point convective heat fluxes over a large range of velocities, densities, and effective nose radii. The heat fluxes and corresponding flow fields are computed using NASA’s hypersonic computational fluid dynamics code, DPLR. Cases in this study have been computed using both a temperature limited, radiative equilibrium wall and a cold wall temperature boundary condition. The results for the scaled heat flux, as a function of the difference in freestream and wall enthalpies, show a clear deviation from the linear trend predicted by the method of Sutton and Graves. Therefore, updated non-linear correlations are proposed for the prediction of stagnation point convective heat fluxes. Generally, these updated correlations predict lower heat loads and therefore smaller required TPS thicknesses when compared to previous correlations for a range of test cases in the Neptune, Saturn, and Uranus atmospheres.

Alex T. Carroll↗
NASA NTRSDate not supplied

Aerothermodynamic Measurements in Hypersonic Non-Equilibrium Flows

High enthalpy arc-jets are unique facilities particularly suited for simulating complex flows in the aerospace field, such as the aerothermodynamics of a re-entry vehicle. Arc-jets are often used to evaluate important design factors such as heat shield materials and vehicle design. Characterization of these facilities is important, as studies often match specific in-flight environments during experiments. Due to the complex environment produced by an arc-jet, with effects such as thermodynamic and chemical non-equilibrium occurring in the flow, characterization experiments are significantly more difficult than in traditional blow-down wind tunnels. The current work aims to characterize an arc-jet facility in terms of flow temperature, velocity and unsteadiness, in a spatially-resolved analysis. To achieve this goal, a non-intrusive imaging technique called “planar laser-induced fluorescence” was performed in the NASA Langley Hypersonic Materials Environ-mental Test System arc-jet facility. The experimental data was analyzed to produce the quantitative measurements in multiple regions of the flow around a blunt body sample. A quasi-1D low fidelity solver was created to numerically simulate the flow to investigate non-equilibrium effects occur-ring outside the imaging region in the arc-jet nozzle. Unsteadiness in the test section was minimized by analyzing a subset of data assessing the gas injection location. Radial velocity, rotational temperature and translational temperature measurements are provided that can be used to validate future high-fidelity computational studies. The temperature measurements revealed rotational non-equilibrium potentially occurring in the flow. This work provides a methodology for characterizing arc-jet facilities, identifying and correcting sources of systematic error, and estimating the uncertainty associated with the quantitative measurements.

laser induced fluorescence↗
NASA NTRS2022

Aerothermodynamic Measurements of Hypersonic Non-Equilibrium Flows

High enthalpy arc-jets are unique facilities particularly suited for producing complex flows in the aerospace field, such as the aerothermodynamics of a re-entry vehicle. Arc-jets are often used to evaluate important design factors that include heat shield materials and vehicle design. Characterization of these facilities is important, as studies often aim to match specific in-flight environments during experiments. Due to the complex environment produced by an arc-jet, with effects such as thermodynamic and chemical non-equilibrium occurring in the flow, characterization experiments are significantly more difficult than in conventional blow-down wind tunnels. The current work aims to characterize an arc-jet facility through spatially-resolved measurements of flow unsteadiness, temperature, and velocity. To achieve this goal, a non-intrusive imaging technique called “planar laser-induced fluorescence” was performed in the NASA Langley Hypersonic Materials Environmental Test System arc-jet facility. The experimental data was analysed to produce the quantitative measurements in multiple regions of the flow around a blunt body specimen. A three-temperature low fidelity numerical solver was created to simulate the flow in order to investigate thermal non-equilibrium effects occurring outside the imaging region in the arc-jet nozzle. Unsteadiness in the test section of the arc-jet was minimized by analyzing a subset of data assessing the gas injection configuration. Radial velocity, rotational temperature and translational temperature measurements are provided that can be used to validate future computational studies. The temperature measurements revealed rotational non-equilibrium occurring behind the bow-shock near the specimen surface. Computational results show the facility is capable of producing thermal non-equilibrium flow in the arc-jet nozzle. This work provides the first experimental and computational evidence of thermal trans-rotational non-equilibrium occurring in multiple regions of this arc-jet facility. Significant improvements to the methodology are also identified as recommendations for future arc-jet characterization studies.

Laser induced fluorescence↗
NASA NTRSDate not supplied

Development of a Composite Material Aerodynamic Demise Model for the Object Reentry Survival Analysis Tool (ORSAT)

The reentry demise of fiber-reinforced polymer (FRP) composites is an increasing concern for modern spacecraft at end of life. Unlike traditional materials such as metals, shredding of the material by aerodynamic forces appears to be a major component of the reentry demise mechanism. This paper will describe a new mechanical, strength-based, material demise model for the Object Reentry Survival Analysis Tool (ORSAT) Version 7.1. The model is based on laboratory in-situ and residual strength tests of several FRP materials performed during the NASA Orbital Debris Program Office’s Phase II Composite Material Demise test campaign. To test the residual strength of partially charred FRP materials, the authors tested 107 rectangular shaped samples of different thicknesses that were previously exposed to high-enthalpy flow at the University of Texas at Austin’s Inductively Coupled Plasma Torch facility. Tests were performed under normal atmospheric conditions at NASA Johnson Space Center’s Experimental Impact Laboratory using a Chatillon TCD1000 tensile test machine configured with a three-point bending jig. Mean fracture load, residual strength, delamination, and flexural modulus were measured for each test. An engineering model of aeromechanical demise for each material was developed by correlating the measured residual strength of the samples with the duration and magnitude of the applied heat flux and the mass loss and char progression. This model has been implemented in ORSAT 7.1 for the built-in, charring carbon fiber/epoxy and charring glass fiber/epoxy material models. The new model was verified by calculating the demise of hundreds of FRP composite fragments of various shapes and sizes and checking the calculations for consistency, with specific focus on material characterization in one-dimension. Further tests are planned in hypersonic flow facilities to validate the assumptions used in the model.

Priscilla A. Mendoza↗
NASA NTRSDate not supplied

Understanding Thermal Stability in Zirconia-Based Aerogels

For lightweight, thermal insulation needs above 1000ºC, the high surface to volume ratios of ceramic-based aerogels are practically unparalleled. Yet realizing the full potential of aerogel-based thermal protection systems requires not only increased thermal stability, but also a broadened menu of stabilizing mechanisms. Here we will review our recent efforts to understand the impact of synthetic parameters and dopant chemistry on the evolution of zirconia-based ceramics. A broad parametric window for thermal stability is established, in which the more sensitive variable of composition has been probed. However, dopant chemistry is actually an aggregate for many closely related material parameters including surface energy, enthalpy of formation, each of which may contribute uniquely to aerogel destabilization. A truly predictive design framework for ceramic-based aerogels requires further decoupling of these underlying properties through systematic and comprehensive evaluation of thermodynamic properties.

aerogel↗
NASA NTRSDate not supplied

Modeling Ring-Opening Polymerization with Machine-Learned Committors

Many important industrial and biological processes depend on ring-opening polymerization (ROP), including large-scale production polymers, such as nylon 6, and a variety of biodegradable polymers and high-performance resins. Large-scale simulations (>200K atoms) of ROP were performed using a deep neural network-based method that captured the effect of the local chemical environment of the reactive sites using training data from quantum chemical methods. The utility of this method was demonstrated by modeling the cationic ROP of bis-benzoxazine, a promising resin for use in advanced high-temperature application composites (>200°C). Density functional theory calculations were used to map out the various ring opening and polymerization reaction paths that occur during the thermal processing of bis-benzoxazine. The probabilities of these reactions, as a function of local atomic configurations, were used to construct committor functions using a neural network approach. The learned committor functions were then used to determine when a particular reaction occurred within the REACTER framework for reactive molecular dynamics simulations. The experimentally observed exotherm that occurs during bis-benzoxazine ROP was captured in an effective manner in the simulations by imposing a local heating of the system that corresponds to the enthalpy of reaction for each reaction. The dependence of the final polymer morphology on the ROP reaction temperature was analyzed at the molecular scale. The results presented in this work indicate that machine-learned committor functions are a promising approach for incorporating high-fidelity reactivity criteria that capture the effect of local chemical environments into large-scale polymerization simulations.

machine learning, polymer simulations, molecular d↗
NASA NTRSDate not supplied

Particle-Based Fiber Models of Woven Materials for Earth Entry Thermal Protection

Applications requiring materials with layer-to-layer strength, from basketry to thermal protection systems, use interlaced, three-dimensional woven materials. NASA is developing and deploying woven material heat shields for missions, including Artemis I (3D-MAT for compression pads) and potentially Mars Sample Return - Earth Entry System. These materials are complex, hierarchical and must protect from extreme environments and phenomena, such as deformation, impact and high-enthalpy heating. Woven material performance depends on microstructure, damage and weave geometry. Therefore, fiber-specific models are needed to simulate fiber contacts within the weave hierarchical geometry (fiber to tow to yarn to weave) and the inherent directionality of fibers. Explicit fiber models can simulate how weave microstructure evolution affects thermal and mechanical properties. We parameterize a discrete element bonded particle models (DEM-BPM) of fibers to capture thermal and mechanical behavior within and between fibers, with bonded and contact forces, respectively. We study the proportion of heat transfer and stress via the contact network, fiber bonds and the weave geometry, for example, with respect to yarn warp-weft identity (whether it interlaces weave layers). Our results demonstrate the importance of explicit fiber modeling for connecting microstructure with thermal and mechanical properties.

woven material↗
NASA NTRS2023

Toward Accurate Thermal Modeling of Phase Change Material Based Photonic Devices

Reconfigurable or programmable photonic devices are rapidly growing and have become an integral part of many optical systems. The ability to selectively modulate electromagnetic waves through electrical stimuli is crucial in the advancement of a variety of applications from data communication and computing devices to environmental science and space explorations. Chalcogenide-based phase change materials (PCMs) are one of the most promising material candidates for reconfigurable photonics due to their large optical contrast between their different solid-state structural phases. Although significant efforts have been devoted to accurate simulation of PCM-based devices, in this paper, we highlight three important aspects which have often evaded prior models yet having significant impacts on the thermal and phase transition behavior of these devices: the enthalpy of fusion, the heat capacity change upon glass transition, as well as the thermal conductivity of liquid-phase PCMs. We further investigated the important topic of switching energy scaling in PCM devices, which also helps explain why the three above-mentioned effects have long been overlooked in electronic PCM memories but only become important in photonics. Our findings offer insight to facilitate accurate modeling of PCM-based photonic devices and can inform the development of more efficient reconfigurable optics.

Phase change materials↗
NASA NTRS2023

Uncertainty Analysis of Slug Calorimeters in the HyMETS Arc-Jet Facility

The objective of this work is to perform an uncertainty analysis of the deduced stagnation heat flux environment on a slug calorimeter for conditions that span the performance envelope of the Hypersonic Materials Environmental Test System arc-jet facility located at NASA Langley Research Center. Analytical solutions are developed for boundary-value problems on the slug element accounting for non-ideal effects, including spatial variation in the slug heat flux, multi-dimensional thermal conduction, and back-face losses, which departs from the state-of-the-art method derived from the American Society of Testing and Materials. Boundary-value problem definitions are informed by preliminary finite element thermal analysis of the slug calorimeter assembly (including both slug and housing) and just the slug element. The analytical solutions are presented in a general sense and in a truncated form from error analysis. Results are shown in optimizing and validating the analytical models against available slug back-face thermal data. The optimization results indicate that the appropriate epistemic uncertainty of the deduced stagnation heat flux on the slug calorimeter is at most±2.5% for both a high-and low-enthalpy test condition. In addition, a numerical approach is used to determine the aleatory (probabilistic) uncertainty component in the slug stagnation heat flux by applying a marching least-squares slope routine through the steady-state portion of the slug back-face thermal response. Results indicate a compromise between the number of samples and the filter frequency of slug back-face thermal data points when evaluating the standard deviation of the deduced stagnation heat flux statistics. When combining the mixed uncertainty, both aleatory and epistemic, the interval of uncertainty in the deduced stagnation heat flux is determined to be up to ±4%, which is at least a 60% reduction from the standard uncertainty used in the state-of-the-art method.

uncertainty↗