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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Space shuttle main engine high pressure fuel pump aft platform seal cavity flow analysis

A general purpose, three-dimensional computational fluid dynamics code named PHOENICS, developed by CHAM Inc., is used to model the flow in the aft-platform seal cavity in the high pressure fuel pump of the space shuttle main engine. The model is used to predict the temperatures, velocities, and pressures in the cavity for six different sets of boundary conditions. The results are presented as input for further analysis of two known problems in the region, specifically: erratic pressures and temperatures in the adjacent coolant liner cavity and cracks in the blade shanks near the outer diameter of the aft-platform seal.

Lowry, S. A.↗
DOE OSTI2026

Gradient-informed Hamiltonian Monte Carlo for multicomponent CALPHAD model optimization and uncertainty quantification

CALPHAD model parameter optimization is inherently challenging due to non-smooth objective functions, high-dimensional parameter spaces, and the need for uncertainty quantification (UQ). Traditional weighted nonlinear least squares approaches are computationally efficient but local, whereas black-box global optimizers and ensemble Markov Chain Monte Carlo (MCMC) methods provide broader exploration at substantial computational cost. The objective of this work is to combine the global exploration capability of gradient-informed Hamiltonian Monte Carlo – specifically the No-U-Turn Sampler (NUTS) – with local deterministic refinement using BFGS to efficiently optimize multicomponent CALPHAD models with minimal manual intervention. Analytic gradients are computed via the Jansson derivative framework. The methodology is demonstrated on the Cr—Fe binary system and extended to the Cr—Fe—Ni ternary system with 32 degrees of freedom. For Cr—Fe, NUTS achieves comparable or superior optimality relative to ensemble MCMC while requiring over an order-of-magnitude fewer likelihood evaluations. Parameter uncertainties are quantified through NUTS sampling and propagated to thermodynamic observables using local expansion, demonstrating a novel modular approach that combines binary and ternary parameter subsets without requiring global relaxation. These results establish gradient-informed exploration as a scalable strategy for multicomponent CALPHAD optimization and provide a practical route towards efficient higher-order database development with quantified uncertainty.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Active Galaxy Unification in the Era of X-Ray Polarimetry

Active galactic nuclei (AGNs), Seyfert galaxies, and quasars are powered by luminous accretion and often accompanied by winds that are powerful enough to affect the AGN mass budget, and whose observational appearance bears an imprint of processes that are happening within the central parsec around the black hole (BH). One example of such a wind is the partially ionized gas responsible for X-ray and UV absorption (warm absorbers). Here, we show that such gas will have a distinct signature when viewed in polarized X-rays. Observations of such polarization can test models for the geometry of the flow and the gas responsible for launching and collimating it. We present calculations that show that the polarization depends on the hydrodynamics of the flow, the quantum mechanics of resonance-line scattering, and the transfer of polarized X-ray light in the highly ionized moving gas. The results emphasize the three-dimensional nature of the wind for modeling spectra. We show that the polarization in the 0.1-10 keV energy range is dominated by the effects of resonance lines. We predict a 5%-25% X-ray polarization signature of type-2 objects in this energy range. These results are generalized to flows that originate from a cold torus-like structure, located approximately 1 pc from the BH, which wraps the BH and is ultimately responsible for the apparent dichotomy between type 1 and type 2 AGNs. Such signals will be detectable by future dedicated X-ray polarimetry space missions, such as the NASA Gravity and Extreme Magnetism Small Explorer SMEX, "GEMS" Swank et al. (2008).

Dorodnitsyn, A.↗
DOE OSTI2026

Effects of the next-nearest-neighbor hopping on the low-dimensional Hubbard model: ferromagnetism, antiferromagnetism, and superconductivity

The Hubbard model has attracted considerable interest due to its prototypical role in describing strongly interacting electronic systems, such as high-critical-temperature superconductors as well as many novel quantum materials. By introducing next-nearest-neighbor (NNN) hoppings to the Hubbard model, the phase diagram becomes richer, and fascinating phenomena arise in both, one-dimensional chains and square lattices, such as: antiferromagnetism, ferromagnetism, superconductivity (SC), as well as charge orders, among others. Moreover, NNN hoppings play a fundamental role in understanding effects of doping on magnetism and pairing orders in strongly interacting regimes. In this article, we review the recent progress in understanding the different competing phases of this model in one and two dimensions from a computational perspective. In conclusion, we comment on the pressing technical challenges, illustrate the controversial results concerning the emergence of the SC phase, and conclude with our perspectives on future explorations.

Hubbard model↗
DOE OSTI2026

Transplatformer: translating toxicogenomic profiles between generations of platforms

Background Transcriptomic profiling technologies have advanced the analysis of biological and toxicological responses. However, substantial differences in probe design, dynamic range, gene coverage, and preprocessing pipelines across platforms introduce artifacts that limit cross-study integration and hinder the reuse of historical datasets. We aim to develop computational methods for accurate cross-platform translation to maximize the value of legacy resources. Results We present TransPlatformer a deep learning framework for translating gene expression profiles across heterogeneous toxicogenomics platforms. TransPlatformer employs a novel attention-based architecture to map high-dimensional fold-change vectors from legacy microarray technologies to current platforms. Models are trained and evaluated using DrugMatrix, spanning three technological generations. We investigate mixed-tissue, single-tissue, and cross-tissue training paradigms and benchmark performance against multilayer perceptron and matrix-completion baselines. In mixed-tissue training, TransPlatformer achieves a greater than 50% reduction in mean absolute error (0.043 vs. 0.09) and nearly doubles Pearson correlation ( ≈ 0.71 vs. 0.37) relative to baseline methods. Importantly, TransPlatformer preserves rare but biologically meaningful over- and under-expressed signals, with mean absolute error below 0.22. Single-tissue models yield further improvements for well-represented organs, such as a 10% reduction in liver mean absolute error, while underscoring the need for data augmentation strategies in low-sample tissues.ra Conclusions TransPlatformer provides an effective and scalable computational solution for cross-platform transcriptomic translation. By enabling biologically faithful harmonization of gene expression data, the proposed approach facilitates the reuse of legacy toxicogenomics datasets, enhances downstream biomarker discovery, and supports more reproducible predictive modeling in toxicology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Three-dimensional modeling of electric-field enhancement in multilayer dielectric gratings arising from inadvertent flaws

Pulse-compression gratings for high-power, short-pulse laser systems are exposed to high electric fields that are further enhanced locally due to their 2D nanostructured surface. This makes them vulnerable to laser-induced damage. The present work considers the effect on electric-field modulation caused by an array of commonly found inadvertent flaws in gratings including fabrication defects, contamination particles, and laser-induced–damage initiation. These defects affect the laser-damage performance characteristics of the grating. To understand the local field-enhancement distribution due these imperfections, 3D modeling of the electric-field distribution is performed with a sufficiently high resolution of 1/74 of the laser wavelength ( λ ) while considering a volume of ≈489 λ 3 . The results provide estimates for the ensuing electric-field intensification and projected reduction of the laser-damage thresholds, as well as the anticipated pattern of damage growth initiation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Beyond microbial abundance: metadata integration enhances disease prediction in human microbiome studies

Multiple studies have highlighted the interaction of the human microbiome with physiological systems such as the gut, immune, liver, and skin, via key axes. Advances in sequencing technologies and high-performance computing have enabled the analysis of large-scale metagenomic data, facilitating the use of machine learning to predict disease likelihood from microbiome profiles. However, challenges such as compositionality, high dimensionality, sparsity, and limited sample sizes have hindered the development of actionable models. One strategy to improve these models is by incorporating key metadata from both the human host and sample collection/processing protocols. This remains challenging due to sparsity and inconsistency in metadata annotation and availability. In this paper, we introduce a machine learning-based pipeline for predicting human disease states by integrating host and protocol metadata with microbiome abundance profiles from 68 different studies, processed through a consistent pipeline. Our findings indicate that metadata can enhance machine learning predictions, particularly at higher taxonomic ranks like Kingdom and Phylum, though this effect diminishes at lower ranks. Our study leverages a large collection of microbiome datasets comprising 11,208 samples, therefore enhancing the robustness and statistical confidence of our findings. This work is a critical step toward utilizing microbiome and metadata for predicting diseases such as gastrointestinal infections, diabetes, cancer, and neurological disorders.

Mathematics and Computing↗
NASA NTRS1974

Stanford automatic photogrammetry research

A feasibility study on the problem of computer automated aerial/orbital photogrammetry is documented. The techniques investigated were based on correlation matching of small areas in digitized pairs of stereo images taken from high altitude or planetary orbit, with the objective of deriving a 3-dimensional model for the surface of a planet.

Quam, L. H.↗
NASA NTRS1977

The transonic multi-foil Augmentor-Wing

The paper describes the development of a transonic blown multi-foil Augmentor-Wing airfoil section that has a thickness/chord (t/c) value of 0.18. In comparison with an unblown single-foil supercritical section of the same overall t/c the new multi-foil section is characterized by an increased drag rise Mach number, increased buffet boundaries, and a reduction in 'effective' drag due to blowing. Potential advantages of the Augmentor-Wing are considered and the testing of three high-speed models in a trisonic pressurized wind tunnel (possessing a two-dimensional transonic insert) is discussed. The data indicate that a very thick wing is feasible since separations toward the rear of the main foil can be controlled both by shroud location and augmentor blowing.

Farbridge, J. E.↗
NASA NTRS1983

A finite difference solution for the propagation of sound in near sonic flows

An explicit time/space finite difference procedure is used to model the propagation of sound in a quasi one-dimensional duct containing high Mach number subsonic flow. Nonlinear acoustic equations are derived by perturbing the time-dependent Euler equations about a steady, compressible mean flow. The governing difference relations are based on a fourth-order, two-step (predictor-corrector) MacCormack scheme. The solution algorithm functions by switching on a time harmonic source and allowing the difference equations to iterate to a steady state. The principal effect of the non-linearities was to shift acoustical energy to higher harmonics. With increased source strengths, wave steepening was observed. This phenomenon suggests that the acoustical response may approach a shock behavior at at higher sound pressure level as the throat Mach number aproaches unity. On a peak level basis, good agreement between the nonlinear finite difference and linear finite element solutions was observed, even through a peak sound pressure level of about 150 dB occurred in the throat region. Nonlinear steady state waveform solutions are shown to be in excellent agreement with a nonlinear asymptotic theory.

Hariharan, S. I.↗
NASA NTRS1984

A finite difference solution for the propagation of sound in near sonic flows

An explicit time/space finite difference procedure is used to model the propagation of sound in a quasi one-dimensional duct containing high Mach number subsonic flow. Nonlinear acoustic equations are derived by perturbing the time-dependent Euler equations about a steady, compressible mean flow. The governing difference relations are based on a fourth-order, two-step (predictor-corrector) MacCormack scheme. The solution algorithm functions by switching on a time harmonic source and allowing the difference equations to iterate to a steady state. The principal effect of the non-linearities was to shift aocustical energy to higher harmonics. With increased source strength, wave steepening was observed. This phenomenon suggests that the acoustical response may approach a shock behavior at higher sound pressure level as the throat Mach number approaches unity. On a peak level basis, good agreement between the nonlinear finite difference and linear finite element solutions was observed, even through a peak sound pressure level of about 150 dB occurred in the throat region. Nonlinear steady state waveform solutions are shown to be in excellent agreement with a nonlinear asymptotic theory. Previously announced in STAR as N83-30167

Hariharan, S. I.↗
NASA NTRS1986

Modeling turbulent, reacting flow

Several of the approximations or models involved in the development of a numerical combustor flow code are examined. In the first section, the importance of numerical accuracy is illustrated, and the impact that improved-accuracy schemes have on slowing convergence is demonstrated. Solution algorithms that can speed convergence are discussed and some performance features of these algorithms are illustrated. A sample calculation displaying the importance of boundary conditions on a three-dimensional numerical prediction is presented. The inaccuracy of a current turbulence model in highly turbulent (nonequilibrium) regions is described. Finally, the surprisingly good performance of a six-flux model in describing radiation heat transfer is displayed. In all the areas examined, continued research is still needed, but valuable engineering tools are available today.

Claus, Russell W.↗
NASA NTRS1988

Numerical analysis of pulse facility transient flow through a supersonic combustion model

The supersonic high enthalpy flow from a shock tunnel facility flowing through a two-dimensional duct simulating a combustor has been computed for two test conditions for both steady and transient inflow. The nominal test conditions had stagnation enthalpies of 4.3 and 12.1 MJ/kg, with corresponding flight Mach numbers of 9 and 16, respectively. A full Navier-Stokes code (SPARK) was used to compute the flow development and the mixing of a hydrogen jet injected from the base of a central strut. Results of the calculations are presented and compared with wall pressure data. Additional comparisons of the transient and steady inflow results are presented to assess the effect of transient flow on the data. This paper presents a status of the progress in applying CFD codes to analyze the transient flow from a pulse facility.

Rogers, R. Clayton↗
NASA NTRS1996

Studies of plasma flow past Jupiter's satellite Io

We have investigated the interaction of Io, Jupiter's innermost Galilean satellite, with the Io plasma torus. The interaction of Io with the plasma surrounding it has been a subject of interest for almost 30 years, dating from the discovery by Bigg (1964) that radio emissions from the Jovian magnetosphere are controlled by Io's position. Since that time, both ground-based and spacecraft observations have shown that Io is a unique satellite that influences the Jovian magnetosphere in important ways. In particular, material from Io is a major source of plasma for the magnetosphere, and the energy that this plasma harnesses from Jupiter's co-rotating magnetic field is an important power source for the magnetosphere. It is apparent that the local interaction of the torus plasma with Io plays a key role in the formation, composition, and energetics of the Io torus; the interaction is also highly nonlinear. We have modeled this interaction using time-dependent three-dimensional magnetohydrodynamic (MHD) simulations. During this past year, we have used NASA support to develop a new MHD code to study the interaction. As part of the Galileo spacecraft's recent successful insertion into orbit around Jupiter, the spacecraft passed within 900 km of Io's surface. Our calculations have focused on using Galileo particles and fields data to examine a question that was not resolved by the Voyager observations: Does Io have an intrinsic magnetic field? In this progress summary, we describe our efforts on this problem to date.

Linker, Jon↗
NASA NTRS2014

Exploration of Planetary Skylights and Tunnels

While planetary pits and caves have been fiction for a century, they have been seen from orbit only in the last few years. These discoveries exceed the fantasies in diversity, scale, and abundance. For pits and caves, this is the age of discovery, ranging from a few pits on the Moon and Mars in 2009 to hundreds within the time of this research, with many more to come. Pits with subsurface voids have been confirmed on the Moon and Mars and indicated on Venus, Phobos, Eros, Gaspra, Ida, Enceladus, and Europa. Compelling next steps are surface and subsurface exploration.Pits and caves are opportunistic study targets for unique origins, geology, and climate that will broadly impact planetary science. Holes on Mars are of particular interest because their interior caves are relatively protected from the harsh surface, making them good candidates to contain Martian life. Pits are prime targets for possible future spacecraft, robots, and even human interplanetary explorers. Caves and caverns could be ready-_made shelters for future Moon and Mars explorers and colonists. Discoveries to date look down from on high with satellites but cannot reveal the wonders of caves. They cannot enter, touch, or view pits up close. Genuine exploration is only achievable through surface missions. Robotic missions can assess suitability for safe entry and habitation, plus inform techniques for developing subsurface infrastructure.Missions into planetary voids redefine the future of exploration, science, and habitation beyond Earth. We can reach this future only by targeting specific technological advancement now. Prior missions and current roadmap priorities target regions of benign terrain. While in-cave concepts have been postulated, the critical technologies have not been identified and demonstrated.While robotic exploration of skylights and caves can seek out life, investigate geology and origins, and open the subsurface of other worlds to humankind, it is a daunting venture. Planetary voids present perilous terrain requiring innovative technologies for access, exploration, and modeling. These same technologies are broadly applicable to explorations of rough and/or subsurface planetary environments, including caves, craters, cliffs, and rock fields. This research speculates on the possibilities and means of such exploration with fundamental contributions to exploring, modeling, and visualizing this new class of large-scale, highly three-dimensional concave planetary features.

Whittaker, Red↗
DOE OSTI2025

An open-source hybrid unstructured mesh - CAD fusion multiphysics analysis workflow in SALAMANDER

Plasma facing components in fusion devices will endure extreme neutron and heat fluxes. To facilitate their design using simulation tools, the open-source Fusion Module, Fusion ENergy Integrated multiphys-X (FENIX) framework is being developed to model these components with a high-fidelity multi-physics multi-dimensional approach. It can iteratively resolve couplings between all the physics at play, from neutron radiation, to thermomechanics, to near-wall plasma dynamics. This framework is based on the Multiphysics Object Oriented Simulation Environment (MOOSE), which is developed by a collaboration of US National Laboratories since 2008, for advanced nuclear, geomechanics simulations and other applications. FENIX couples numerous simulation tools, including OpenMC, the Tritium Migration Analysis Program v8, the NekRS CFD software, and most MOOSE modules. For the coupling of radiation transport and other physics, FENIX supports a hybrid workflow between Computer Assisted Design (CAD) and unstructured mesh geometries. The CAD can be generated from skinning the unstructured mesh, to enable a coarse geometry for efficient particle transport, but still resolving the local material compositions and temperature gradients. Neutron transport is performed using DAGMC on the CAD, and Cardinal, integrated in FENIX, maps tallied quantities, such as the heat deposition or the tritium generation rates, from a tally volumetric mesh to the other physics’ unstructured mesh. This coupling was exercised on a simplified tokamak geometry, coupling neutron transport with the heat conduction equation, and on a monoblock divertor problem, coupling additionally with tritium migration. Mesh convergence studies highlight the importance of the mapping conservativeness. Coupling with thermo-mechanics is further enabled by the generalization of the approach to moving meshes. The presentation will include these coupled analysis as well as an update on status of the FENIX framework.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1991

Modeling of linear isentropic flow systems

A modeling approach for linear isentropic flow systems based on the quasi-one-dimensional Euler equations of non-viscous, compressible flow are presented. Such systems are representative of certain high speed propulsion systems. Accurate models useful in control system studies are developed. A supersonic inlet is considered, and the resulting set of partial differential equations with boundary conditions is solved for a linear transfer matrix using Laplace transforms.

Sarantopoulos, Athan D.↗