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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2022

Fayalite Formation Through Hydrothermal Experiments: Insights into Early Fluid-assisted Aqueous Alteration Processes on Asteroids

In order to understand the effects of the earliest fluid-assisted hydration processes on asteroids, we performed one hydrothermal experiment using three different reactants (FeO-rich amorphous silicates, iron metal powder, and water) at conditions informed by our current state of knowledge of asteroidal alteration. This experiment provides, for the first time, clear evidence that the growth of fayalite can occur during hydrotherma lalteration, as described previously in meteorites. These newly formed fayalite crystals are elongated and porous, similar to the ones described in CV3, CK, and ordinary chondrites. The results show that (1) fayalite could form even if chemical equilibrium was not reached in the experiment, at a water to rock mass ratio (0.4 W/R at the beginning of the experiment) higher than the values calculated to be thermodynamically viable at equilibrium(W/R > 0.2); (2) the composition and the texture of the reactants changed during the hydrothermal alteration process, suggesting that the reactants, especially the amorphous silicates, underwent dissolution and reprecipitation; (3) fayalite can form at low temperature(220°C), which is at the transition between hydrothermal alteration and fluid-assisted metamorphism in chondrites. The results are consistent with previous mineralogical observations and thermodynamic models, which suggest that fayalite crystals are formed on asteroidal parent bodies by the interaction between a hydrothermal fluid and disequilibrium assemblages that compose the pristine materials that condensed in the early solar nebula. This experiment suggests that two variables play a very important role in the formation off ayalite during the hydrothermal growth (W/R mass ratio and the fluid composition). These results are similar to the recent observations of the fine-grained matrix of ordinary chondrites.

E Dobrică↗
NASA NTRS2022

The Hubble PanCET Program: A Featureless Transmission Spectrum for WASP-29b and Evidence of Enhanced Atmospheric Metallicity on WASP-80b

We present a uniform analysis of transit observations from the Hubble Space Telescope and Spitzer Space Telescope of two warm gas giants orbiting K-type stars—WASP-29b and WASP-80b. The transmission spectra, which span 0.4–5.0μm, are interpreted using a suite of chemical equilibrium PLATON atmospheric retrievals. Both planets show evidence of significant aerosol opacity along the day–night terminator. The spectrum of WASP-29b is flat throughout the visible and near-infrared, suggesting the presence of condensate clouds extending to low pressures. The lack of spectral features hinders our ability to constrain the atmospheric metallicity and C/O ratio. In contrast, WASP-80b shows a discernible, albeit muted H2O absorption feature at 1.4μm, as well as a steep optical spectral slope that is caused by fine-particle aerosols and/or contamination from unocculted spots on the variable host star. WASP-80b joins the small number of gas-giant exoplanets that show evidence for enhanced atmospheric metallicity: the transmission spectrum is consistent with metallicities ranging from∼30–100 times solar in the case of cloudy limbs to a few hundred times solar in the cloud-free scenario. In addition to the detection of water, we infer the presence of CO2in the atmosphere of WASP-80b based on the enhanced transit depth in the Spitzer 4.5μm bandpass. From a complementary analysis of Spitzer secondary eclipses, we find that the day side emission from WASP-29b and WASP-80b is consistent with brightness temperatures of 937±48 and 851±14 K, respectively, indicating relatively weak day–night heat transport and low Bond albedo.

Ian Yu Wong↗
NASA NTRS2025

Line List for the A 2 Π−X 2 Σ + and the B 2 Σ + −X 2 Σ + Band Systems of CaF

The spectral analysis of molecule-rich asymptotic giant branch (AGB) stars is challenging. Although other calcium and fluorine bearing molecules are observed in the microwave and in the visible spectrum of AGB stars, CaF has never been detected, despite favorable chemical equilibrium predictions. Yet, measuring the CaF abundance could give more insight into the fluorine budget of AGB stars and allow better simulation of stellar spectra. In this work, we present an analysis of the visible spectrum of CaF obtained with a Fourier transform spectrometer. CaF A 2 Π−X 2 Σ + and the B 2 Σ + −X 2 Σ + band systems were excited with a hollow cathode discharge. Using previous fluorescence spectroscopy measurements, highly accurate ground state constants, and reasonable extrapolation schemes, the strongest features of CaF in the visible spectrum can be accurately modeled for both band systems. Spectroscopic constants are determined for A 2 Π with v ≤ 16 and for B 2 Σ + with v ≤ 20. Ab initio transition dipole moment curves of both transitions were calculated and scaled, and we provide a line list with Einstein A coefficients and oscillator strengths. This line list can be used to simulate spectra of CaF at temperatures and pressures relevant to astrophysical environments.

Léo Lavy↗
NASA NTRS2026

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↗
NASA NTRS2026

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.

inviscid theory↗
NASA NTRS1992

A time-accurate algorithm for chemical non-equilibrium viscous flows at all speeds

A time-accurate, coupled solution procedure is described for the chemical nonequilibrium Navier-Stokes equations over a wide range of Mach numbers. This method employs the strong conservation form of the governing equations, but uses primitive variables as unknowns. Real gas properties and equilibrium chemistry are considered. Numerical tests include steady convergent-divergent nozzle flows with air dissociation/recombination chemistry, dump combustor flows with n-pentane-air chemistry, nonreacting flow in a model double annular combustor, and nonreacting unsteady driven cavity flows. Numerical results for both the steady and unsteady flows demonstrate the efficiency and robustness of the present algorithm for Mach numbers ranging from the incompressible limit to supersonic speeds.

Shuen, J.-S.↗
NASA NTRS1993

A coupled implicit method for chemical non-equilibrium flows at all speeds

The present time-accurate coupled-solution procedure addresses the chemical nonequilibrium Navier-Stokes equations over a wide Mach-number range uses, in conjunction with the strong conservation form of the governing equations, five unknown primitive variables. The numerical tests undertaken address steady convergent-divergent nozzle flows with air dissociation/recombination, dump combustor flows with n-pentane/air chemistry, and unsteady nonreacting cavity flows.

Shuen, Jian-Shun↗
NASA NTRS1992

Upwind differencing and LU factorization for chemical non-equilibrium Navier-Stokes equations

By means of either the Roe or the Van Leer flux-splittings for inviscid terms, in conjunction with central differencing for viscous terms in the explicit operator and the Steger-Warming splitting and lower-upper approximate factorization for the implicit operator, the present, robust upwind method for solving the chemical nonequilibrium Navier-Stokes equations yields formulas for finite-volume discretization in general coordinates. Numerical tests in the illustrative cases of a hypersonic blunt body, a ramped duct, divergent nozzle flows, and shock wave/boundary layer interactions, establish the method's efficiency.

Shuen, Jian-Shun↗
NASA NTRS1988

The development of flux-split algorithms for flows with non-equilibrium thermodynamics and chemical reactions

A finite-volume method for the numerical computation of flows with nonequilibrium thermodynamics and chemistry is presented. A thermodynamic model is described which simplifies the coupling between the chemistry and thermodynamics and also results in the retention of the homogeneity property of the Euler equations (including all the species continuity and vibrational energy conservation equations). Flux-splitting procedures are developed for the fully coupled equations involving fluid dynamics, chemical production and thermodynamic relaxation processes. New forms of flux-vector split and flux-difference split algorithms are embodied in a fully coupled, implicit, large-block structure, including all the species conservation and energy production equations. Several numerical examples are presented, including high-temperature shock tube and nozzle flows. The methodology is compared to other existing techniques, including spectral and central-differenced procedures, and favorable comparisons are shown regarding accuracy, shock-capturing and convergence rates.

Grossman, B.↗
NASA NTRS2013

Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium

This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.

Modeling↗
NASA NTRS1985

Chemical evolution of the Earth: Equilibrium or disequilibrium process?

To explain the apparent chemical incompatibility of the Earth's core and mantle or the disequilibrium process, various core forming mechanisms have been proposed, i.e., rapid disequilibrium sinking of molten iron, an oxidized core or protocore materials, and meteorite contamination of the upper mantle after separation from the core. Adopting concepts used in steady state thermodynamics, a method is devised for evaluating how elements should distribute stable in the Earth's interior for the present gradients of temperature, pressure, and gravitational acceleration. Thermochemical modeling gives useful insights into the nature of chemical evolution of the Earth without overly speculative assumptions. Further work must be done to reconcile siderophile elements, rare gases, and possible light elements in the outer core.

Sato, M.↗
NASA NTRS1981

Quantum chemical calculation of the equilibrium structures of small metal atom clusters

A decomposition of the molecular energy is presented that is motivated by the atom superposition and electron delocalization physical model of chemical binding. The energy appears in physically transparent form consisting of a classical electrostatic interaction, a zero order two electron exchange interaction, a relaxation energy, and the atomic energies. Detailed formulae are derived in zero and first order of approximation. The formulation extends beyond first order to any chosen level of approximation leading, in principle, to the exact energy. The structure of this energy decomposition lends itself to the fullest utilization of the solutions to the atomic sub problems to simplify the calculation of the molecular energy. If nonlinear relaxation effects remain minor, the molecular energy calculation requires at most the calculation of two center, two electron integrals. This scheme thus affords the prospects of substantially reducing the computational effort required for the calculation of molecular energies.

Kahn, L. R.↗
NASA NTRS1976

Non-equilibrium radiation from viscous chemically reacting two-phase exhaust plumes

A knowledge of the structure of the rocket exhaust plumes is necessary to solve problems involving plume signatures, base heating, plume/surface interactions, etc. An algorithm is presented which treats the viscous flow of multiphase chemically reacting fluids in a two-dimensional or axisymmetric supersonic flow field. The gas-particle flow solution is fully coupled with the chemical kinetics calculated using an implicit scheme to calculate chemical production rates. Viscous effects include chemical species diffusion with the viscosity coefficient calculated using a two-equation turbulent kinetic energy model.

Penny, M. M.↗