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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

2D Analysis of In-flight Light Particles

One of the primary uses of the in-flight icing research performed aboard NASA Glenn s DHC-6 Twin Otter is for Icing Research Tunnel (IRT) and icing prediction code (Lewice) validation. Using the in-flight data to establish the IRT and Lewice as accurate simulators of actual icing conditions is crucial for supporting the research done in the Icing Branch. During test flights during the 2003 and 2004 flight season, a Natural Ice Shape Database was collected. For flights where conditions were appropriate, the aircraft is flown in an icing cloud with all ice protection systems deactivated. The duration of this period is usually determined by the pilot s ability to safely control the aircraft. When safe flight is no longer possible, the aircraft is maneuvered into clear air above the cloud layer. At this point several photographs are taken of the ice shape that was accreted on the wing test section during this icing encounter using a stereo photograph system (Figure 1). The stereo photograph system utilizes two cameras located at different locations on the fuselage that are both pointed at the same location on the wing. When both cameras take photographs of the same location at the same time, the negatives can be combined digitally to generate a two dimensional plot describing the cross-section of the ice shape. After these photographs are taken, the wing de-icing boots are activated and the ice shape is removed.

Shearer, Jonathan↗
NASA NTRS2015

Star Tracker Performance Estimate with IMU

A software tool for estimating cross-boresight error of a star tracker combined with an inertial measurement unit (IMU) was developed to support trade studies for the Integrated Radio and Optical Communication project (iROC) at the National Aeronautics and Space Administration Glenn Research Center. Typical laser communication systems, such as the Lunar Laser Communication Demonstration (LLCD) and the Laser Communication Relay Demonstration (LCRD), use a beacon to locate ground stations. iROC is investigating the use of beaconless precision laser pointing to enable laser communication at Mars orbits and beyond. Precision attitude knowledge is essential to the iROC mission to enable high-speed steering of the optical link. The preliminary concept to achieve this precision attitude knowledge is to use star trackers combined with an IMU. The Star Tracker Accuracy (STAcc) software was developed to rapidly assess the capabilities of star tracker and IMU configurations. STAcc determines the overall cross-boresight error of a star tracker with an IMU given the characteristic parameters: quantum efficiency, aperture, apparent star magnitude, exposure time, field of view, photon spread, detector pixels, spacecraft slew rate, maximum stars used for quaternion estimation, and IMU angular random walk. This paper discusses the supporting theory used to construct STAcc, verification of the program and sample results.

Error Budget↗
NASA NTRS1971

Energy dependence of cross sections of cosmic ray nuclei in tungsten

An ionization spectrometer consisting of 12 layers of tungsten each 6.13 gm cm/2 thick and 7 iron modules each 70 gm cm/2 thick was flown in a balloon at an altitude of 6 gm cm/2 for 16 hours. The distributions of the first interaction points are used to determine the mean free path of the incident particles. At energies of 20 GeV the proton m.f.p. of 140 gm cm/2 is in agreement with that of other workers. The m.f.p.'s of heavy nuclei have been determined as a function of energy up to a total energy of 1000 GeV. These results are compared with the overlap model of nucleus-nucleus collisions. For C nuclei interacting with W the overlap parameter is -2.6 x 10/13 cm. The energy dependence of this parameter is discussed.

Balasubrahmanyan, V. K.↗
NASA NTRS1994

Compression strength of composite primary structural components

The linear elastic response is determined for an internally pressurized, long circular cylindrical shell stiffened on the inside by a regular arrangement of identical stringers and identical rings. Periodicity of this configuration permits the analysis of a portion of the shell wall centered over a generic stringer-ring joint; i.e., a unit cell model. The stiffeners are modeled as discrete beams, and the stringer is assumed to have a symmetrical cross section and the ring an asymmetrical section. Asymmetery causes out-of-plane bending and torsion of the ring. Displacements are assumed as truncated double Fourier series plus simple terms in the axial coordinate to account for the closed and pressure vessel effect (a non-periodic effect). The interacting line loads between the stiffeners and the inside shell wall are Lagrange multipliers in the formulation, and they are also assumed as truncated Fourier series. Displacement continuity constraints between the stiffeners and shell along the contact lines are satisfied point-wise. Equilibrium is imposed by the principle of virtual work. A composite material crown panel from the fuselage of a large transport aircraft is the numerical example. The distributions of the interacting line loads, and the out-of-plane bending moment and torque in the ring, are strongly dependent on modeling the deformations due to transverse shear and cross-sectional warping of the ring in torsion. This paper contains the results from the semiannual report on research on 'Pressure Pillowing of an Orthogonally Stiffened Cylindrical Shell'. The results of the new work are illustrated in the included appendix.

Johnson, Eric R.↗
DOE OSTI2025

Measurement of the phase between strong and electromagnetic amplitudes in the decay J/ψ → ϕη

The first direct measurement of the relative phase between the strong and electromagnetic amplitudes for a J/ψ decaying into a vector-pseudoscalar final state is performed using 26 energy points of e + e − annihilation data between 3.00 GeV and 3.12 GeV. The data sets were collected by the BESIII detector with a total integrated luminosity of 452 pb −1 . By investigating the interference pattern in the cross section lineshape of e + e − → ϕη, the relative phase between the strong and electromagnetic amplitudes of J/ψ decay is determined to be within [133°, 228°] at 68% confidence level.

QCD↗
DOE OSTI2020

Enhancing nuclear data validation analysis by using machine learning

In this work, we demonstrate how machine learning (ML) techniques can be used as an auxiliary tool for nuclear data validation analysis. The output of the ML analysis can inform evaluators and validators on the quality, or lack thereof, of specific nuclear data and benchmark experiments with respect to simulating these experimental benchmark values. To this end, measured and simulated effective neutron multiplication factors, k eff , of 875 selected ICSBEP critical assemblies and the latter's sensitivities with respect to nuclear data as well as benchmarks' features (e.g., material nuclide, core geometry) are used as input for a random forest (RF) regression model. The RF is used to encode the complex inter-dependencies between thousands of nuclear data features (i.e., sensitivity profiles and aspects describing the measurements) and 875 simulated and experimental k eff values in order to understand what nuclear data features are most informative for predicting bias. The complexity of relationships and high-dimensional space is difficult-to-impossible to search fully using simply expert judgment. As a first proof-of-concept—step, it is demonstrated that this technique is able to correctly trace large discrepancies between simulated and experimental k eff back to fabricated shortcomings in nuclear data that were perturbed to simulated k eff values. In a second, real-case scenario, step, the RF algorithm is used to validate the ENDF/B-VIII.0 library in comparison to ENDF/B-VII.1 nuclear data. One case is showcased where the chosen ML algorithms highlighted nuclear data (the 19 F(n,inl) cross section from 0.4–0.9 MeV) that are shown to be problematic by comparing them to associated differential experimental data and nuclear data from other libraries. In addition to that, it is shown that the RF results point towards poor benchmark experiments and associated underestimated uncertainties (e.g., the PU-SOL-THERM-028 series). However, using the RF algorithm for validating nuclear data with respect to k eff is currently limited to pinpointing groups of questionable nuclear data due to the inherent correlations between features introduced by the nuclear data themselves and how k eff is simulated. Due to this, we recommend that the ML methods presented be used to augment—rather than replace—the expert knowledge of evaluators and validators.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2022

On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure

We show that the Berry force as computed by an approximate, mean-field electronic structure can be meaningful if properly interpreted. In particular, for a model Hamiltonian representing a molecular system with an even number of electrons interacting via a two-body (Hubbard) interaction and a spin–orbit coupling, we show that a meaningful nonzero Berry force emerges whenever there is spin unrestriction—even though the Hamiltonian is real-valued and formally the on-diagonal single-surface Berry force must be zero. Moreover, if properly applied, this mean-field Berry force yields roughly the correct asymptotic motion for scattering through an avoided crossing. That being said, within the context of a ground-state calculation, several nuances do arise as far interpreting the Berry force correctly, and as a practical matter, the Berry force diverges near the Coulson–Fischer point (which can lead to numerical instabilities). Here, we do not address magnetic fields here.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

matsim-agents v1.0

matsim-agents is a multi-agent AI framework for atomistic materials simulation and discovery. It orchestrates large language models (LLMs), machine-learned interatomic potentials (MLIPs), and DFT codes into a single agentic loop running on laptops and DOE leadership-class supercomputers. MULTI-AGENT ORCHESTRATION A LangGraph state machine with three nodes: a Planner that converts a natural-language research objective into structured tasks; an Executor that dispatches atomistic tools and loops until the queue is empty; and an Analyst that summarizes results into a human-readable report. State is checkpointed after every step and human-in-the-loop gates can be inserted at any edge. HYPOTHESIS-DRIVEN DISCOVERY CHAT An interactive REPL (matsim-agents chat) that couples LLM dialogue with atomistic simulation. Chemical formulas are automatically detected in conversation turns and trigger a full crystal-phase exploration: structure generation → relaxation → stability scoring → result injection back into the conversation, creating a closed hypothesis-refinement loop. CRYSTAL PHASE ENUMERATION Given a composition, the phase explorer enumerates prototypes by stoichiometry: elemental (fcc/bcc/hcp/sc/diamond), binary 1:1 (rocksalt/CsCl/zincblende/ wurtzite/fluorite/rutile), ternary 1:1:3 (cubic perovskite), ternary 1:2:4 (perovskite + spinel), quaternary 1:1:2:6 (Fm-3m double perovskite). 2-D prototypes (graphene, h-BN, MoS2 2H/1T) and multilayer stacking are also supported via --include-2d and --num-layers. SUPERCELL GENERATION AND SITE DECORATION Auto-tiling to a minimum atom count (--min-atoms), explicit NxNxN tiling (--supercell), symmetry-distinct site decorations (--n-orderings), and isotropic lattice-scale sweeps (--lattice-scales) for volume bracketing. MLFF RELAXATION AND STABILITY SCORING HydraGNN (multi-headed GNN) drives structure relaxation via ASE with FIRE, BFGS, or BFGSLineSearch. Stability output: delta-E/atom ranking across phases and a max-residual-force dynamical-stability proxy. Other MLIPs (MACE, NequIP, Orb) can be plugged in through the same interface. DFT BACKENDS Quantum ESPRESSO pw.x and VASP 6.6 are first-class labellers. Both have validated GPU builds and SLURM/PBS launchers for three DOE platforms: Frontier (AMD MI250X, ROCm), Aurora (Intel PVC, oneAPI), Perlmutter (NVIDIA A100, CUDA). QE produces ~100 binaries (pw.x, ph.x, epw.x, ...). VASP supports scf, relax, vc-relax, and vc-relax-shape run types. ACTIVE-LEARNING LOOP matsim-agents al run CONFIG.yaml drives an iterative HydraGNN-DFT loop: MD generates candidates → ensemble/MC-dropout uncertainty selects the most informative → DFT labels them in parallel inside one allocation → dataset grows → HydraGNN retrains → repeat. DFT backend is a single YAML toggle (dft.backend: vasp | qe). LLM-generated seed structures are supported (no curated POSCAR library needed). Config uses ${VAR}, ${VAR:-default}, ${VAR:?msg} shell-style substitution for cross-user/cross-site portability. LLM BACKENDS Ollama (local, default), vLLM (HPC multi-GPU serving), OpenAI, Anthropic, HuggingFace Transformers+Accelerate. Selected at runtime via flag or env var with no code changes. HPC PORTABILITY Same Python entry points run on Frontier (ROCm 7.2), Aurora (oneAPI), and Perlmutter (CUDA 12). DFT and ML stacks are never co-loaded in the same shell; they couple through the scheduler and filesystem. Advanced multi-node launchers (serve, discovery-chat, single-relaxation, active-learning, QE warm-start) are provided for all three platforms. CODABENCH COMPETITION BUNDLE A self-contained benchmark: 159 atomistic test structures across 11 material classes, 5 tasks (formation energy, forces, ML relaxation, AI-DFT relaxation, phase stability ranking), public/private leaderboard split (30/70), and four ready-to-run baselines: MACE-MP-0, HydraGNN, UMA, AllScAIP.

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗
DOE OSTI2023

Deciphering Fingerprints of Stellar Nucleosynthesis Through Nuclear Reaction Rate Measurements and Isotopic Analyses of Stardust

Microscopic stardust grains, found in trace amounts in primitive meteorites, afford a unique opportunity to study stellar nucleosynthesis in the laboratory by measuring their heavy element isotopic compositions. Applying LLNL’s state-of-the art material characterization capabilities to these micrometer-sized grains yields large new datasets with unprecedented precision. However, the astrophysical models necessary to interpret the isotopic record require improved nuclear physics data to constrain stellar nucleosynthesis conditions. For example, the branch point in the s-process path at 95 Zr controls the relative amounts of heavier nuclides but is poorly understood. We conducted a coordinated effort across disciplines to combine a new determination of the neutron capture cross section of 95 Zr with the laboratory analysis of hundreds of stardust grains to yield a view into stellar interiors. We developed new methods to quantify multiple isotopic systems simultaneously (e.g., Zr, Ba, and W) in stardust grains and improved the determination of the neutron capture cross section of unstable 95 Zr via the surrogate reaction method. This interdisciplinary approach is allowing us to fill gaps in our understanding of the environments in which elements are produced while enhancing LLNL’s experimental and theoretical capabilities relevant to nuclear threat reduction missions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Deciphering Fingerprints of Stellar Nucleosynthesis Through Nuclear Reaction Rate Measurements and Isotopic Analyses of Stardust

Microscopic stardust grains, found in trace amounts in primitive meteorites, afford a unique opportunity to study stellar nucleosynthesis in the laboratory by measuring their heavy element isotopic compositions. Applying LLNL’s state-of-the art material characterization capabilities to these micrometer-sized grains yields large new datasets with unprecedented precision. However, the astrophysical models necessary to interpret the isotopic record require improved nuclear physics data to constrain stellar nucleosynthesis conditions. For example, the branch point in the s-process path at 95 Zr controls the relative amounts of heavier nuclides but is poorly understood. We conducted a coordinated effort across disciplines to combine a new determination of the neutron capture cross section of 95 Zr with the laboratory analysis of hundreds of stardust grains to yield a view into stellar interiors. We developed new methods to quantify multiple isotopic systems simultaneously (e.g., Zr, Ba, and W) in stardust grains and improved the determination of the neutron capture cross section of unstable 95 Zr via the surrogate reaction method. This interdisciplinary approach is allowing us to fill gaps in our understanding of the environments in which elements are produced while enhancing LLNL’s experimental and theoretical capabilities relevant to nuclear threat reduction missions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Elastic Modulus Measurement at High Temperatures for Miniature Ceramic Samples Using Laser Micro-Machining and Thermal Mechanical Analyzer

In this paper, we demonstrate a method of measuring the flexural elastic modulus of ceramics at an intermediate (~millimeter) scale at high temperatures. We used a picosecond laser to precisely cut microbeams from the location of interest in a bulk ceramic. They had a cross-section of approximately 100 μm × 300 μm and a length of ~1 cm. They were then tested in a thermal mechanical analyzer at room temperature, 500 °C, 800 °C, and 1100 °C using the four-point flexural testing method. We compared the elastic moduli of high-purity Al2O3 and AlN measured by our method with the reported values in the literature and found that the difference was less than 5% for both materials. This paper provides a new and accurate method of characterizing the high-temperature elastic modulus of miniature samples extracted from representative/selected areas of bulk materials.

Chemistry↗
NASA NTRS1974

Analysis of longitudinal thickness-shear stiffness of a monolayer filamentary composite

The longitudinal thickness-shear behavior of a rectangular cross-section prism containing circular cross-section fibers embedded in a matrix is analyzed. The problem is formulated as a Saint-Venant flexure problem modeled by a tip-loaded cantilever composite beam and solution is obtained by the boundary-point least-squares method. It is shown that the longitudinal thickness-shear modulus is much greater than the in-plane shear modulus for a monofilament composite and therefore an independent analysis is necessary to predict the longitudinal thickness-shear behavior of the composite. Numerical results are presented in graphical form for various values of fiber volume fraction and material parameters typical of modern advanced composites.

Chang, S.↗
NASA NTRS1982

High performance channel injection sealant invention abstract

High performance channel sealant is based on NASA patented cyano and diamidoximine-terminated perfluoroalkylene ether prepolymers that are thermally condensed and cross linked. The sealant contains asbestos and, in its preferred embodiments, Lithofrax, to lower its thermal expansion coefficient and a phenolic metal deactivator. Extensive evaluation shows the sealant is extremely resistant to thermal degradation with an onset point of 280 C. The materials have a volatile content of 0.18%, excellent flexibility, and adherence properties, and fuel resistance. No corrosibility to aluminum or titanium was observed.

Rosser, R. W.↗
NASA NTRS1985

Coupled low-energy - ring current plasma diffusion in the Jovian magnetosphere

The outwardly diffusing Iogenic plasma and the simultaneously inwardly diffusing ring current plasma in the Jovian magnetosphere are described using a coupled diffusion model which incorporates the effects of the pressure gradient of the ring current into the cross-L diffusion coefficient. The coupled diffusion coefficient is derived by calculating the total energy available to drive the diffusion process. The condition is imposed that the diffusion coefficient takes on a local minimum value at some point in the region L = 7-8, at which point the gradient of the Io plasma density is specified as ramp value given by Siscoe et al. (1981). The hypothesis that the pressure gradient of the ring current causes the diminution of radial plasma transport is tested, and solution profiles for the Iogenic and ring current plasma densities are obtained which imply that the Io plasma ramp is caused by a high-density, low-energy component of the ring current hitherto unobserved directly.

Summers, D.↗
NASA NTRS1987

Simulation of transonic viscous flow over a fighter-like configuration including inlet

The simulation of transonic viscous flow over a modified F-16A including inlet is presented. A zonal approach is utilized which allows appropriate clustering suitable for viscous calculations on all solid surfaces. Computational efficiency is enhanced by solving the thin-layer Navier-Stokes equations in viscous zones adjacent to the aircraft and the Euler equations on those coarse zones away from the aircraft. The flow conditions for this transonic case are freestream Mach number of 0.9, angle of attack of 4.12 deg, and a Reynolds number (based on root chord) of 4.5 million. A total of 19 zones are utilized yielding a total of 350,000 grid points. This case required about 3000 iterations to reduce the residual by three orders, which takes about 10 hr of CPU time on the Cray X-MP/48 computer. Pressure distributions on the wing and on cross sections through the inlet region compare favorably with the experimental data for this transonic case.

Flores, Jolen↗
NASA NTRS1990

Near-nadir radar backscatter from a well-developed sea

The Kirchhoff approximation for the case of well-developed seas is analyzed. In this peculiar case, the equilibrium range in the wave number spectrum corresponds to a cascade pattern in the surface geometry. Its high wave number cutoff is shown to be a major factor of the radar backscatter. This intrinsic scale is evaluated, and both the geometrical and the physical optics terms are related to major parameters of wind-wave dynamics. The range of validity of the Kirchhoff approximation and the relative importance of the diffraction correction are analyzed. Finally, the radar cross section sigma exp 0 of well-developed seas is compared with that of poorly developed seas. The great qualitative difference shown in the wind speed dependence of sigma exp 0 for these two regimes is pointed out as a source of a considerable error trend recently discovered in satellite altimeter wind measurements.

Glazman, Roman E.↗
NASA NTRS1993

Detection of dust impacts by the Voyager planetary radio astronomy experiment

The Planetary Radio Astronomy (PRA) instrument detected large numbers of dust particles during the Voyager 2 encounter with Neptune. The signatures of these impacts are analyzed in some detail. The major conclusions are described. PRA detects impacts from all over the spacecraft body, not just the PRA antennas. The signatures of individual impacts last substantially longer than was expected from complementary Plasma Wave Subsystem (PWS) data acquired by another Voyager experiment. The signatures of individual impacts demonstrate very rapid fluctuations in signal strength, so fast that the data are limited by the speed of response of the instrument. The PRA detects events at a rate consistently lower than does the Plasma Wave subsystem. Even so, the impact rate is so great near the inbound crossing of the ring plane that no reliable estimate of impact rate can be made for this period. The data are consistent with the presence of electrons accelerated by ions within an expanding plasma cloud from the point of impact. An ancillary conclusion is that the anomalous appearance of data acquired at 900 kHz appears to be due to an error in processing the PRA data prior to their delivery rather than due to overload of the PRA instrument.

Evans, David R.↗
NASA NTRS2005

Deformation and Flexibility Equations for ARIS Umbilicals Idealized as Planar Elastica

The International Space Station relies on the active rack isolation system (ARIS) as the central component of an integrated, stationwide strategy to isolate microgravity space-science experiments. ARIS uses electromechanical actuators to isolate an international standard payload rack from disturbances due to the motion of the Space Station. Disturbances to microgravity experiments on ARIS isolated racks are transmitted primarily via the ARIS power and vacuum umbilicals. Experimental tests indicate that these umbilicals resonate at frequencies outside the ARIS controller s bandwidth at levels of potential concern for certain microgravity experiments. Reduction in the umbilical resonant frequencies could help to address this issue. This work documents the development and verification of equations for the in-plane deflections and flexibilities of an idealized umbilical (thin, flexible, inextensible, cantilever beam) under end-point, in-plane loading (inclined-force and moment). The effect of gravity is neglected due to the on-orbit application. The analysis assumes an initially curved (not necessarily circular), cantilevered umbilical with uniform cross-section, which undergoes large deflections with no plastic deformation, such that the umbilical slope changes monotonically. The treatment is applicable to the ARIS power and vacuum umbilicals under the indicated assumptions.

Hampton, R. David↗