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At least 415 records · Page 23

Comparison of Quantum Mechanical and Empirical Potential Energy Surfaces and Computed Rate Coefficients for N2 Dissociation

Physics-based modeling of hypersonic flows is predicated on the availability of chemical reaction rate coefficients and cross sections for the collisional processes. This approach has been built around the use of quantum mechanical calculations to describe the interaction between the colliding particles. In this approach a potential energy surface (PES) is computed by solving the electronic Schrödinger equation and collision cross sections are determined for that PES using classical, semiclassical or quantum mechanical scattering methods. The rate coefficients are computed by integrating the thermally weighted cross sections. State-to-state rate coefficients are determined by only integrating over a thermal distribution of collisional energies. Finally, thermal rate coefficients are determined by summation of the state-to-state rate coefficients for reactions of molecules in all relevant ro-vibrational energy levels. If the flow is in thermal non-equilibrium, the translational, vibrational and rotational energy modes can be represented in different ways: three unique temperatures can be used to describe the distributions, the populations of individual ro-vibrational energy levels can be determined by solving the Master Equation, or through the use of direct simulation in particle-based Monte Carlo sampling. The PES-to-rate coefficient approach had been proposed and attempted in the early days of digital computing, but it is only in the last 15 years that computer hardware and software have been up to the task of calculating accurate interatomic and intermolecular potentials.

Jaffe, Richard L.↗

InSight Aerothermal Environment Assessment

The InSight spacecraft was proposed to be a build-to-print copy of the Phoenix vehicle due to the knowledge that the lander payload would be similar and the trajectory would be similar. However, the InSight aerothermal analysts, based on tests performed in CO2 during the Mars Science Laboratory mission (MSL) and completion of Russian databases, considered radiative heat flux to the aftbody from the wake for the first time for a US Mars mission. The combined convective and radiative heat flux was used to determine if the as-flown Phoenix thermal protection system (TPS) design would be sufficient for InSight. All analyses showed that the design would be adequate. Once the InSight lander was successfully delivered to Mars on November 26, 2018, work began to reconstruct the atmosphere and trajectory in order to evaluate the aerothermal environments that were actually encountered by the spacecraft and to compare them to the design environments.The best estimated trajectory (BET) reconstructed for the InSight atmospheric entry fell between the two trajectories considered for the design, when looking at the velocity versus altitude values. The maximum heat rate design trajectory (MHR) flew at a higher velocity and the maximum heat load design trajectory (MHL) flew at a lower velocity than the BET. For TPS sizing, the MHL trajectory drove the design. Reconstruction has shown that the BET flew for a shorter time than either of the design environments, hence total heat load on the vehicle should have been less than used in design. Utilizing the BET, both DPLR and LAURA were first run to analyze the convective heating on the vehicle with no angle of attack. Both codes were run with axisymmetric, laminar flow in radiative equilibrium and vibrational non-equilibrium with a surface emissivity of 0.8. Eight species Mitcheltree chemistry was assumed with CO2, CO, N2, O2, NO, C, N, and O. Both codes agreed within 1% on the forebody and had the expected differences on the aftbody. The NEQAIR and HARA codes were used to analyze the radiative heating on the vehicle using full spherical ray-tracing. The codes agreed within 5% on most aftbody points of interest.The LAURA code was then used to evaluate the conditions at angle of attack at the peak heating and peak pressure times. Boundary layer properties were investigated to confirm that the flow over the forebody was laminar for the flight.Comparisons of the aerothermal heating determined for the reconstructed trajectory to the design trajectories showed that the as-flown conditions were less severe than design

Beck, Robin↗

InSight's Reconstructed Aerothermal Environments

The InSight spacecraft was proposed to be a build-to-print copy of the Phoenix vehicle due to the knowledge that the lander payload would be similar and the trajectory would be similar. However, the InSight aerothermal analysts, based on tests performed in CO2 during the Mars Science Laboratory mission (MSL) and completion of Russian databases, considered radiative heat flux to the aftbody from the wake for the first time for a US Mars mission. The combined convective and radiative heat flux was used to determine if the as-flown Phoenix thermal protection system (TPS) design would be sufficient for InSight. All analyses showed that the design would be adequate. Once the InSight lander was successfully delivered to Mars on November 26, 2018, work began to reconstruct the atmosphere and trajectory in order to evaluate the aerothermal environments that were actually encountered by the spacecraft and to compare them to the design environments.The best estimated trajectory (BET) reconstructed for the InSight atmospheric entry fell between the two trajectories considered for the design, when looking at the velocity versus altitude values. The maximum heat rate design trajectory (MHR) flew at a higher velocity and the maximum heat load design trajectory (MHL) flew at a lower velocity than the BET. For TPS sizing, the MHL trajectory drove the design. Reconstruction has shown that the BET flew for a shorter time than either of the design environments, hence total heat load on the vehicle should have been less than used in design. Utilizing the BET, both DPLR and LAURA were first run to analyze the convective heating on the vehicle with no angle of attack. Both codes were run with axisymmetric, laminar flow in radiative equilibrium and vibrational non-equilibrium with a surface emissivity of 0.8. Eight species Mitcheltree chemistry was assumed with CO2, CO, N2, O2, NO, C, N, and O. Both codes agreed within 1% on the forebody and had the expected differences on the aftbody. The NEQAIR and HARA codes were used to analyze the radiative heating on the vehicle using full spherical ray-tracing. The codes agreed within 5% on most aftbody points of interest.The LAURA code was then used to evaluate the conditions at angle of attack at the peak heating and peak pressure times. Boundary layer properties were investigated to confirm that the flow over the forebody was laminar for the flight.Comparisons of the aerothermal heating determined for the reconstructed trajectory to the design trajectories showed that the as-flown conditions were less severe than design

radiation↗

Simulation of HyMETS Flowfield Around Baby-SPRITE Entry Probe

Arc-jets are unique facilities used in research, development, and evaluation of high-temperature thermal protection systems for hypersonic vehicles and planetary entry systems. Thermochemical non-equilibrium computational fluid dynamics simulations have been carried out for the Hypersonic Materials Environmental Test System arc-jet facility to determine the size of a capsule model before arc-jet testing by better understanding of the physical phenomena. The results show the effect of the test article geometry and the importance of high-quality grids for accurate solutions. Accurate computational modeling of hypersonic flow fields inside arc-jets under simulated planetary entry conditions would help improve the design of thermal protection systems that may enable human exploration of the Moon, Mars, and beyond.

Ventura Diaz, Patricia↗

Version 4 of the SMAP Level-4 Soil Moisture Algorithm and Data Product

The NASA Soil Moisture Active Passive (SMAP) mission Level-4 Soil Moisture (L4_SM) product provides global, 3-hourly, 9-km resolution estimates of surface (0-5 cm) and root-zone (0-100 cm) soil moisture with a mean latency of ~2.5 days. The underlying L4_SM algorithm assimilates SMAP radiometer brightness temperature (Tb) observations into the NASA Catchment land surface model using a spatially-distributed ensemble Kalman filter. Version 4 of the L4_SM modeling system includes a reduction in the upward recharge of surface soil moisture from below under non-equilibrium conditions, resulting in reduced bias and improved dynamic range of L4_SM surface soil moisture compared to earlier versions. This change and additional technical modifications to the system reduce the mean and standard deviation of the observation-minus-forecast Tb residuals and overall soil moisture analysis increments while maintaining the skill of the L4_SM soil moisture estimates versus independent in situ measurements; the average, bias-adjusted RMSE in Version 4 is 0.039 m(exp 3) m(exp -3) for surface and 0.026 m(exp 3) m(exp -3) for root-zone soil moisture. Moreover, the coverage of assimilated SMAP observations in Version 4 is near-global owing to the use of additional satellite Tb records for algorithm calibration. L4_SM soil moisture uncertainty estimates are biased low (by 0.01-0.02 m(exp 3) m(exp -3)) against actual errors (computed versus in situ measurements). L4_SM runoff estimates, an additional product of the L4_SM algorithm, are biased low (by 35 mm year (exp -1)) against streamflow measurements. Compared to Version 3, bias in Version 4 is reduced by 46% for surface soil moisture uncertainty estimates and by 33% for runoff estimates.

RMSE↗

Hybrid Simulation of Solar-Wind-Like Turbulence

We present 2.5D hybrid simulations of the spectral and thermodynamic evolution of an initial state of magnetic field and plasma variables that in many ways represents solar wind fluctuations. In accordance with Helios near-Sun high-speed stream observations, we start with Alfvénic fluctuations along a mean magnetic field in which the fluctuations in the magnitude of the magnetic field are minimized. Since fluctuations in the radial flow speed are the dominant free energy in the observed fluctuations, we include a field-aligned v∥(k⊥) with an k(exp −1) spectrum of velocity fluctuations to drive the turbulent evolution. The flow rapidly distorts the Alfvénic fluctuations, yielding spectra (determined by spacecraft-like cuts) transverse to the field that become comparable to the k∥ fluctuations, as in spacecraft observations. The initial near constancy of the magnetic field is lost during the evolution; we show this also takes place observationally. We find some evolution in the anisotropy of the thermal fluctuations, consistent with expectations based on Helios data. We present 2D spectra of the fluctuations, showing the evolution of the power spectrum and cross-helicity. Despite simplifying assumptions, many aspects of simulations and observations agree. The greatly faster evolution in the simulations is at least in part due to the small scales being simulated, but also to the non-equilibrium initial conditions and the relatively low overall Alfvénicity of the initial fluctuations.

Roberts, D. Aaron↗

Modeling Mg II During Solar Flares. II. Nonequilibrium Effects

To extract the information that the Mg II NUV spectra (observed by the Interface Region Imaging Spectrograph) carry about the chromosphere during solar flares, and to validate models of energy transport via model–data comparison, forward modeling is required. The assumption of statistical equilibrium (SE) is typically used to obtain the atomic level populations from snapshots of flare atmospheres, due to computational necessity. However, it is possible that relying on SE could lead to spurious results. We compare solving the atomic level populations via SE versus a non-equilibrium (NEQ) time-dependent approach. This was achieved using flare simulations from RADYN alongside the minority species version MS_RADYN from which the time-dependent Mg II atomic level populations and radiation transfer were computed in complete frequency redistribution. The impacts on the emergent profiles, light curves, line ratios, and formation heights are discussed. In summary we note that NEQ effects during flares are typically important only in the initial stages and for a short period following the cessation of the energy injection. An analysis of the timescales of ionization equilibrium reveals that for most of the duration of the flare, when the temperatures and densities are sufficiently enhanced, the relaxation timescales are short (τrelax < 0.1 s), so that the equilibrium solution is an adequate approximation. These effects vary with the size of the flare, however. In weaker flares, effects can be more pronounced. We recommend that NEQ effects be considered when possible but that SE is sufficient at most stages of the flare.

Kerr, Graham S.↗

Large-Eddy Simulation of Axisymmetric Compression Corner Flow

The Wall-Modeled Large Eddy Simulation (WMLES) approach is used to study the interaction of a shock wave with a high Reynolds number turbulent boundary layer. Since the near wall region is modeled, high Reynolds number turbulent flows can be simulated at a moderate computational cost. The case considered is that of an axisymmetric Mach 2.85 turbulent boundary layer over a 30 compression corner. The Reynolds number of the boundary layer upstream of the interaction based on momentum thickness (Re theta = u sub infinity theta/v sub infinity) is ~12,000. The geometry and flow conditions match the experiments of Dunagan et al. (NASA TM 88227, 1986). The simulations were performed using equilibrium and non-equilibrium wall models. The agreement with experiment is encouraging for the finest grid with respect to the separation bubble length, unsteady shock structure and wall pressure distribution. Sensitivity ofWMLES results to grid, wall model, and blockage effects in the tunnel are reported.

Iyer, Prahladh S.↗

Characterization of CO 4th Positive Radiation in CO2-Ar Mixtures

This paper presents measurements and simulations of CO 4th Positive spectra obtained in NASA Ames Research Center's Electric Arc Shock Tube (EAST) and CentraleSupelec's Plasma Torch. The experiments were aimed at measuring optically thin emission for the main band features of CO 4th Positive by using test gas mixtures of CO2 and Ar. By using mixtures of CO2 and Ar, the temperature of the flow (and consequently black-body curve) is increased compared to using pure CO2 (or CO2 / N2 mixtures). This temperature increase allows for emission spectroscopy of features that would nominally be black-body limited for conditions relevant to Mars entry. The CO 4th Positive system is the focus of this study as it accounts for a large percentage of the emitted radiation for Martian entry, and also due to the difficulties of obtaining experimental validation data due to the emission appearing in the Vacuum Ultraviolet (VUV) spectral range. The focus of this paper is to provide a comprehensive comparison between the EAST and plasma torch data along with various CO 4th Positive databases available in the literature. Previously reported VUV CO2 / N2 EAST data required a larger temperature than would be predicted based upon equilibrium shock relations. The need for the temperature increase implies that the EAST experiment did not fully equilibrate. Thus, it is presumed that the EAST data did not obtain an equilibrium condition. The plasma torch data, on the other hand, is very consistent with equilibrium assumptions. Thus, the equilibrium data obtained in the plasma torch is utilized to construct the CO 4th Positive emission model, which is then applied to the EAST data with a non-equilibrium interpretation.

A. M. Brandis↗

LGGUN User's Manual

LGGUN is a quasi-one-dimensional Godunov code1 which is second order accurate in time and third order accurate in space, uses realistic equations of state for all media, includes wall friction and heat transfer for all gas and dense media zones and includes a simple non-equilibrium model for gas phase turbulence. This manual details the theory and operation of the code.

Ballistic Range↗

High-Fidelity Simulations of HyMETS Arc-Jet Flows for PICA-N Modeling

Arc-jet testing is a fundamental tool in the screening of thermal protection systems under atmospheric entry conditions. In this work, high-fidelity computational fluid dynamics simulations coupled with machine learning methods for the Hypersonic Materials Environmental Test System arc-jet facility have been carried out. This effort improves the MEDLI-2 data reconstruction fidelity by understanding the impact of the NuSil coating over the PICA thermocouple plugs. Thermochemical non-equilibrium models are employed to simulate the flows inside the arc-jet nozzle and chamber and machine learning techniques are used to calibrate the arc-jet inflow conditions. The material response is simulated with the recession and in-depth numerical results compared to experimental measurements.

STMD↗

"Genetically Engineered" Nanoelectronics

The Nanoelectronic Modeling Tool (NEMO) is a general-purpose quantum device design and analysis tool based on a fundamental non-equilibrium electron transport theory.

genetics↗

The GF Convection Parameterization: Recent Developments, Extensions, and Applications

Recent developments and options in the GF (Grell and Freitas, 2014, Freitas et al.,2018) convection parameterization are presented. The parameterization has been expanded to atrimodal spectral size to simulate three convection modes: shallow, congestus and deep. Incontrast to usual entrainment/detrainment assumptions, we assume that Beta Functions (BFs),commonly applied to represent Probability Density Functions (PDF’s), can be used tocharacterize the vertical mass flux profiles for the three modes, and use the BFs to deriveentrainment and detrainment rates. We also added a new closure for non-equilibrium convectionthat improved the simulation of the diurnal cycle of convection, with a better representation ofthe transition from shallow to deep convection regimes over land. The transport of chemicalconstituents (including wet deposition) can be treated inside the GF scheme. The tracer transportis handled in flux form and is mass conserving. Finally, the cloud microphysics has beenextended to include the ice phase to simulate the conversion from liquid water to ice in updraftswith resulting additional heat release and the melting from snow to rain.

Saulo R De Freitas↗

Recent Advancements in Modeling and Simulation of Entry Systems at NASA

This paper describes recent development of modeling and simulation technologies for entry systems in support of NASA’s exploration missions. Mission-tailored research and development in modeling of entry systems occurs across the Agency (e.g., within the Orion and Mars 2020 Programs), however the aim of this paper is to discuss the broad, cross-mission research conducted by NASA’s Entry Systems Modeling (ESM) Project, which serves as the Agency’s only concerted effort toward advancing entry systems across a range of technical disciplines. Technology development in ESM is organized and prioritized from a system-level perspective, resulting in four broad technical areas of investment: (1) Predictive material modeling, (2) Shock layer kinetics and radiation, (3) Computational and experimental aerosciences, and (4) Guidance, navigation, and control. Investments in thermal protection material modeling are geared toward high-fidelity, predictive models capable of handling complex structures, with an eye toward optimizing design performance and quantifying thermal protection system reliability. New computational tools have been developed to characterize material properties and behavior at the microstructural level, and experimental techniques (molecular beam scattering, micro-computed tomography, among others) have been developed to measure material kinetics, morphology, and other parameters needed to inform and validate detailed simulations. Advancements have also been made in macrostructural simulation capability to enable 3-D system-scale calculations of material response with complex topological features, including differential recession of tile gaps. Research and development in the area of shock layer kinetics has focused on air and CO2-based atmospheres. Capacity and capability of the NASA Ames Electric Arc Shock Tube (EAST) have been expanded in recent years and analysis of resulting data has led to several improvements in kinetic models, while simultaneously reducing uncertainties associated with radiative heat transfer predictions. First-principles calculations of fundamental kinetic, thermodynamic, and transport data, along with state-specificmodels for non-equilibrium flow regimes, have also yielded new insights and have the potential to vastly improve model fidelity. Aerosciences is a very broad area of interest in entry systems, yet a number of important challenges are being addressed: Coupled fluid-structure simulations of parachute inflation and dynamics; Experimental and computational studies of vehicle dynamics; Multi-phase flow with dust particles to simulate entry environments at Mars during dust storms; Studies of roughness-induced heating augmentation relevant to tiled and woven thermal protection systems; and Advanced numerical methods to optimize computational analyses for desired accuracy versus cost. Guidance and control in the context of entry systems has focused on development of methods for multi-axis control (i.e. pitch and yaw, rather than bank angle alone) of spacecraft during entry and descent. With precision landing requirements driven by Mars human exploration goals, recent efforts have yielded 6-DOF models of multi-axis control with propulsive descent of both inflatable and rigid ellipsled-like architectures. Results for both configurations have demonstrated the ability to land within the 50-meter precision requirement demanded by Mars human exploration missions, while also reducing propellant requirements by enabling more efficient control through entry and descent. Ongoing research in GN&C is developing mechanical specifications for the systems and establishing engineering feasibility.

aerothermodynamics↗

Trajectory Engineering with Modular Patched Conics for Entry Systems and TPS (TEMPEST)

Brief Presenter Biography (35 word limit): Bohdan Wesely is an Aerospace Engineer in the Entry Systems and Technology Division at Ames. He has worked on a variety of projects for NASA including integrated TPS (thermal protection system) flight hardware deliveries and testing services for commercial partners. Introduction: TEMPEST is a new trajectory analysis framework that is designed to fill the gap between dedicated flight mechanics tools and aerothermal and TPS sizing tools. The project started as an SJSU master’s thesis and has since evolved into a general conceptual design tool capable of studying a wide variety of entry problems. Development is ongoing in the Entry Systems and Technology Division at NASA ARC. Why TEMPEST: Space missions involving entry into a planetary atmosphere involve a series of unique requirements across multiple disciplines. Whether it is traditional entry descent and landing (EDL), or aerocapture, the vehicle must navigate to its target landing location or orbit state, and the TPS must protect the payload during entry. The design process typically involves iterative handoffs between various flight mechanics, flow solver, and material response level tools. During the early conceptual phase, a wide variety of feasible trajectories are simulated in a Monte Carlo scenario which broadly satisfy the mission or landing requirements. Next, computational fluid dynamics (CFD), direct simulation Monte Carlo (DSMC), and other flow solver analyses are performed at various key trajectory points to generate an aero-database, heating and TPS design requirements also emerge at this stage. At this point, with updated aerodynamics from the various flow solvers, trajectories can be re-run, this in turn can change the required freestream conditions for the CFD tools, and as a project progresses, these analyses converge, and uncertainty is reduced. However, there is always a “hand-off” occurring between two inherently coupled phenomena. Analysis Description: One of the goals with TEMPEST is to use a variety of first principles estimation methods coupled with an atmosphere model to predict vehicle aerothermodynamics across the entire flight regime while propagating a 3 or 6 degree of freedom (DoF) trajectory. Aerodynamics methods include modified Newtonian, Maxwell and Cercignani- Lampis-Lord (CLL) for continuum, transitional, and free molecular flow regimes. Aerothermodynamics include boundary layer and reference enthalpy methods, and Mutation++ for non-equilibrium chemistry modeling. TEMPEST is also capable of stitching multiple trajectory segments together to study mission scenarios like multi-pass aerocapture and aero-gravity assists. Most of the program is implemented in MATLAB using modern system objects, it relies on several C++ shared libraries for supporting tools like Gmsh, the Global Reference Atmospheric Model (GRAM), and Mutation++. The various first principles aerothermal estimation methods are discretized across either a structured axisymmetric panel mesh or an unstructured tri-mesh generated from an open-source tool such as Gmsh, this allows solutions on the same mesh to be compared across tools such as CB-Aero. CFD Coupling. A physics-aware, gaussian process CFD anchoring scheme is proposed to adjust the various first principles methods as a CFD database is populated. One goal for this anchoring module is to inform the project where CFD should be run. Full knowledge of the entire trajectory, atmosphere, and aerothermodynamics allows for easier identification of high sensitivity areas and uncertainty quantification. While the first principles effects are well known and proven accurate in existing tools such as CB- Aero and Cart3D, a physics aware CFD anchoring scheme increases tool credibility across a project lifecycle. Material Response Modeling. Correct TPS sizing is critical for optimizing mass for science payloads and ensuring mission success. The process typically involves a thermal analysis along the trajectory with surface heating environments as a boundary condition. Several design constraints are maximum bondline temperature and maximum recession with various margining techniques. The material response tool FIAT, developed out of NASA Ames, is currently being integrated into the TEMPEST environment. TPS recession, shape change, mass loss, and mass property alteration are all factors that can perturb an entry trajectory. For missions like Mars 2020, recession was minimal and was safely handled separately as a post process. For missions such as Jupiter Galileo with a high TPS mass fraction or asteroid entries, recession plays a major role. The proposed fully coupled scheme is to use an epoch-based approach where the trajectory integration is halted after a recession threshold, the energy balance and FIAT are solved at each panel, the mesh, aerodynamics, and mass properties are updated, and the trajectory continues. Several computational tradeoffs have been made during the development of TEMPEST to limit the cost of a single trajectory and preserve its utility as a conceptual, rapid iteration tool. Conclusion: Development of TEMPEST is ongoing and the project is still in its infancy. This talk aims to showcase its unique capabilities to support future NASA entry systems missions.

Bohdan O Wesely↗

Thermochemically-Closed Sonic-Flow Inversion for Enthalpy and Temperature in Multispecies Arc-Jet Flows

A thermochemically-closed sonic-flow inversion framework (TSIF) is developed to infer bulk enthalpy and total temperature upstream of a choked nozzle in arc-jet flows. The formulation recasts a pressure-rise total enthalpy quantification technique as an inverse problem in characteristic-velocity c * space using measured mass flow rate, upstream total pressure, gas composition, and nozzle throat geometry as inputs. Unlike calorimetric energy-balance approaches or optical diagnostics, the method relies primarily on routinely measured facility quantities combined with explicit thermochemical closure. Thermochemical states are obtained using NASA’s open-source Chemical Equilibrium with Applications (CEA) code, enabling construction of a chemistry-consistent relation between characteristic velocity, total enthalpy, and total temperature under equilibrium or frozen assumptions. A discharge coefficient is self-calibrated using cold-flow (arc-off) operation data and applied to hot-flow (arc-on) measurements, enabling upstream losses to be accounted for without empirical correlations. The framework is applied to air, N 2 , and CO 2 –N 2 arc-jet flows and demonstrates expected trends for the inferred thermochemical states as function of arc power, specific energy input, mass-flow, heater configuration, and test gas. In the air limit, under equilibrium assumptions, the method recovers the classical high-enthalpy asymptotic correlation of Winovich with a mean residual of 4.4%, demonstrating compatibility with established sonic-flow scaling, while extending applicability to arbitrary multi-species mixtures and non-equilibrium chemistry. The framework provides a mixture-flexible methodology for determining bulk thermochemical states in modern arc-jet environments using routine facility pressure, mass-flow, gas-composition, and nozzle-geometry information together with a cold-flow calibration.

stagnation heat flux↗

A Machine Learning Framework for Error Compensation in Radiative Transfer Calculations

Radiative heat transfer influences the amount of heat flux transferred to the surface of the hypersonic vehicle, which is essential to evaluate the performance of thermal protection systems. The radiative heat flux is found to be computationally prohibitive while accounting for the variation in spatial, angular, and spectral domains. A new methodology has been recently developed to alleviate the cost of computation in the spectral domain by constructing flow-agnostic reduced-order models (ROMs). The developed spectral ROM databases provide grouping strategies that account for non-equilibrium absorption and emission as well as interaction between disparate species due to spectral overlap in associated radiative processes. However, the developed ROMs need to be optimized for a specific combination of interacting gas species and would need to re-calibrated in case individual species are added/omitted. In this work, we use various machine learning (ML) techniques to approximate the radiative intensities determined by a ROM optimized for a specific gas mixture. The ML model relies on the ROM databases developed for a single species which ignores any spectral overlap. Thus, radiation evaluation starts with a simple summation of radiative intensities predicted using these non-calibrated ROMs for the contributing species. The ML framework then provides a correction to account for the interplay in the frequency, i.e., emission of photons by one species and absorption by another, and yields mixture-specific radiation fields. Once trained on the individual ROM databases, the ML framework offers instantaneous corrections that serves as a time/cost effective alternative to the optimization of ROMs for a specific gas mixture. The ML framework is trained on both the high fidelity and ROM evaluated line of sight (LOS) data from Orion, Stardust, and FIRE II cases to obtain a general purpose correction model for earth re-entry scenarios when radiation contributions from both atomic nitrogen and atomic oxygen are considered. A geometric length scale parameter is used in the training process to account for errors introduced in the ROM databases as a consequence of high optical thickness. The efficacy of the ML framework is underscored through extensive analysis of train and test errors with respect to all the re-entry scenarios. The applicability of such an ML framework was further corroborated by embedding it in a state-of-the-art US3D - NERO system for determining the radiative heat flux transferred to the hypersonic vehicle surface.

Radiation↗

Discrete Rotational Energy for Polyatomic Molecules in Direct Simulation Monte Carlo

Accurate prediction of aerothermodynamic loads in thermal non-equilibrium flows requires precise modeling of internal energy exchange. While previous direct simulation Monte Carlo frameworks have successfully implemented discrete rotational energy models for diatomic species, the treatment of polyatomic molecules has traditionally relied on continuous energy assumptions that break down at low temperatures and neglect critical high-temperature corrections. This study extends the discrete rotational energy models of Boyd and Gimelshein to fully encompass polyatomic molecules. The proposed framework implements quantized rotational energy level sampling for linear, spherical, and symmetric/asymmetric top rotors. Crucially, the model incorporates centrifugal distortion to address the limitations of the rigid-rotor assumption at hypersonic temperatures, and accounts for nuclear spin parity, which dictates the permissible rotational states and macroscopic specific heats at low temperatures. The model is verified through equilibrium sampling procedures, demonstrating agreement with theoretical quantum Boltzmann distributions and accurately reproducing thermophysical properties across a wide range of temperatures.

DSMC↗