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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Development of technology for fluid-structure interaction modeling of a 1/8-scale dynamic model of shuttle External Tank (ET). Volume i: Technical report

A NASTRAN analysis of the external tank (ET) substructure of the 1/8-scale space shuttle structural dynamics model is described. The NASTRAN hydroelastic procedures were used to form a model of the liquid oxygen portion of the ET. Large computer storage requirements and running times were required unless these procedures were modified. Several possibilities were demonstrated including the substitution of the real for the complex eigenvalue routine and the use of the OMIT capability to reduce the number of fluid coordinates. A NASTRAN model of the complete ET was formed and reduced to 252 degrees of freedom. A review of the eigenvector extracted, using the unsymmetrical inverse power method, indicated that the structural OMIT's resulted in unsatisfactory modal deflections. Modifications to the NASTRAN hydroelastic capability appeared necessary to generate a successful ET model. An approach is described which, by assuming incompressibility, reduces the fluid representation to a symmetric mass matrix which can be added to the structural mass. The problem is solved using faster and more efficient eigenvalue routines. Using this approach the ET NASTRAN model was analyzed for three separate weight conditions.

Bernstein, M.↗
NASA NTRS1992

Space environmental effects on LDEF low Earth orbit exposed graphite reinforced polymer matrix composites

The Long Duration Exposure Facility (LDEF) was deployed on April 7, 1984 in low earth orbit (LEO) at an altitude of 482 kilometers. On board experiments experienced the harsh LEO environment including atomic oxygen (AO), ultraviolet radiation (UV), and thermal cycling. During the 5.8 year mission, the LDEF orbit decayed to 340 kilometers where significantly higher AO concentrations exist. LDEF was retrieved on January 12, 1990 from this orbit. One experiment on board LDEF was M0003, Space Effects on Spacecraft Materials. As a subset of M0003 nearly 500 samples of polymer, metal, and glass matrix composites were flown as the Advanced Composites Experiment M0003-10. The Advanced Composites Experiment is a joint effort between government and industry with the Aerospace Corporation serving as the experiment integrator. A portion of the graphite reinforced polymer matrix composites were furnished by the Boeing Defense and Space Group, Seattle, Washington. Test results and discussions for the Boeing portion of M0003-10 are presented. Experiment and specimen location on the LDEF are presented along with a quantitative summary of the pertinent exposure conditions. Matrix materials selected for the test were epoxy, polysulfone, and polyimide. These composite materials were selected due to their suitability for high performance structural capability in spacecraft applications. Graphite reinforced polymer matrix composites offer higher strength to weight ratios along with excellent dimensional stability. The Boeing space exposed and corresponding ground control composite specimens were subjected to post flight mechanical, chemical, and physical testing in order to determine any changes in critical properties and performance characteristics. Among the more significant findings are the erosive effect of atomic oxygen on leading edge exposed specimens and microcracking in non-unidirectionally reinforced flight specimens.

George, Pete↗
DOE OSTI2026

3D printed water-stable Cd-doped Cs 4 MnBi 2 Cl 12 /polylactic acid perovskite/polymer composites for high-flux X-ray scintillation

Stable and efficient X-ray scintillators are crucial for medical diagnostics, industrial, and defense applications. However, conventional scintillator technologies face a trade-off between stability, optimal performance, and sustainability. Herein, we introduce 3D-printed Cs 4 MnBi 2 Cl 12 (Pero1) and Cs 4 Cd 0.68 Mn 0.32 Bi 2 Cl 12 (Pero2) perovskite microcrystals embedded within a polylactic acid (PLA) polymer composite as X-ray scintillators, combining efficiency, stability, and sustainability. The orange luminescent perovskite powder phosphors exhibited poor water stability, which was successfully addressed through incorporation into PLA via filament extrusion and fused deposition modeling (FDM) 3D printing. The resulting composite films demonstrated remarkable water stability while maintaining uniform orange emission throughout the polymer matrix, as confirmed by 3D topography scanning and X-ray fluorescence mapping. Structural characterization revealed minimal chemical interaction between the perovskite and PLA matrix, with the composites retaining their crystalline properties. The PLA-Pero2 composite exhibited superior optical properties, with a photoluminescence quantum yield of 47%, nearly 17 times higher than that of PLA-Pero1 (2.8%), attributed to the effective suppression of non-radiative decay pathways through Cd 2+ doping. Under hard X-ray irradiation at synchrotron beamlines, both composites exhibited excellent radioluminescence, with emission peaks at 605 nm, a linear response across a wide X-ray flux range, and remarkable radiation stability, showing less than 3% intensity degradation after 600 seconds of continuous high-dose exposure. The PLA-Pero2 composite achieved a spatial resolution of 5 line pairs per millimeter and a contrast ratio of 0.255. These performance metrics, combined with the polymer's biodegradability and scalability through additive manufacturing, position PLA-based composites as a more sustainable alternative to conventional petroleum-based polymer scintillators for next-generation medical imaging, radiation monitoring, and industrial radiography applications.

3D Printing↗
DOE OSTI2025

Effects of high-pressure hydrogen exposure on filler-elastomer adhesion

Elastomers are known to gain enhanced mechanical properties through compounding with nanosized filler particles such as silica or carbon black. Filler dispersion and filler-polymer interfacial strength are key contributing factors to this improvement. The interfacial strength is critical to part lifetime in pressurized gas sealing applications such as O-rings, where weak binding between the filler particle and polymer matrix can lead to internal void structures. With the aim to build a fundamental understanding of precursors to pressurized hydrogen-induced failure in elastomers, we use all-atom molecular dynamics simulations to study the impact of hydrogen oversaturation on filler-polymer interaction strength. We systematically study the interface between a commonly used elastomer, ethylene-propylene-diene monomer (EPDM) and silica by varying gas concentration, crosslink density, and surface chemistry. Our simulations predict that decompression leads to a localization of excess gas near the interface. In conclusion, we demonstrate that this localized gas can weaken interfacial adhesion and quantify the interaction using thermodynamic approaches.

EPDM↗
DOE OSTI2024

Efficient real space formalism for hybrid density functionals

We present an efficient real space formalism for hybrid exchange-correlation functionals in generalized Kohn–Sham density functional theory (DFT). In particular, we develop an efficient representation for any function of the real space finite-difference Laplacian matrix by leveraging its Kronecker product structure, thereby enabling the time to solution of associated linear systems to be highly competitive with the fast Fourier transform scheme while not imposing any restrictions on the boundary conditions. We implement this formalism for both the unscreened and range-separated variants of hybrid functionals. We verify its accuracy and efficiency through comparisons with established planewave codes for isolated as well as bulk systems. In particular, we demonstrate up to an order-of-magnitude speedup in time to solution for the real space method. We also apply the framework to study the structure of liquid water using ab initio molecular dynamics, where we find good agreement with the literature. Overall, the current formalism provides an avenue for efficient real-space DFT calculations with hybrid density functionals.

Chemistry↗
DOE OSTI2024

Improved Three-Dimensional Reconstructions in Electron Ptychography through Defocus Series Measurements

A detailed analysis of ptychography for three-dimensional (3D) phase reconstructions of thick specimens is performed. Here, we introduce multi-focus ptychography, which incorporates a 4D-STEM defocus series to enhance the quality of 3D reconstructions along the beam direction through a higher overdetermination ratio. This method is compared with established multi-slice ptychography techniques, such as conventional ptychography, regularized ptychography, and multi-mode ptychography. Additionally, we contrast multi-focus ptychography with an alternative method that uses virtual optical sectioning through a reconstructed scattering matrix (S-matrix), which offers more precise 3D structure information compared to conventional ptychography. Our findings from multiple 3D reconstructions based on simulated and experimental data demonstrate that multi-focus ptychography surpasses other techniques, particularly in accurately reconstructing the surfaces and interface regions of thick specimens.

3D reconstruction↗
DOE OSTI2025

Toward shell model interactions with credible uncertainties

Background: The nuclear shell model is a powerful framework for predicting nuclear structure observables, but relies on interaction matrix elements fit to experimental data as its inputs. Extending the shell model's applicability, particularly toward dripline nuclei, requires efficient fitting methods and credible uncertainty quantification. Traditional approaches face computational challenges and may underestimate uncertainties. Purpose: We develop and test a framework combining eigenvector continuation and Markov chain Monte Carlo to efficiently fit shell model interaction matrix elements and quantify their uncertainties. Methods: Eigenvector continuation is used to emulate shell model calculations, reducing computational costs. The emulator enables Markov chain Monte Carlo sampling to optimize interaction matrix elements and rigorously assess parametric uncertainties. Here, the framework is benchmarked using the USDB interaction in the 𝑠⁢𝑑 shell. Results: The emulator reproduces the USDB interaction with negligible error, validating its use in shell model fitting applications. However, we find that to obtain credible predictive intervals, the model defect of the shell model itself, rather than experimental or emulator error, must be taken into account in order to obtain credible uncertainties. Conclusions: The proposed framework provides an efficient and rigorous approach for fitting shell model interactions and quantifying uncertainties. Further, the normality assumption used in the past appears sufficient to describe the distribution of interaction matrix elements. However, it is crucial to account for model correlations to avoid underestimating uncertainties.

Nuclear forces↗
DOE OSTI2026

Correlated purification for restoring 𝑁-representability in quantum simulation

Experimentally measured reduced density matrices (RDMs) often violate constraints that ensure they represent N-electron states—known as N-representability conditions—because of statistical and hardware noise. In this work, we present a correlated purification framework based on semidefinite programming to restore the accuracy of a noisy, unphysical two-electron RDM (2-RDM). The method performs a bi-objective optimization that minimizes both the many-electron energy and the nuclear norm of the correction to the measured 2-RDM. The nuclear norm, often employed in matrix completion, promotes low-rank corrections, while the energy term acts as a regularization term that can improve the purity of the ground state. While the method is particularly effective for ground states, it can also be applied to excited and nonstationary states by decreasing the weight of the energy relative to the error norm. In an application to fermionic shadow tomography of large hydrogen chains, correlated purification yields substantial reductions in both energy and 2-RDM error, achieving chemical accuracy across dissociation curves. This framework provides a robust strategy for tomography in many-body quantum simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Tensor network simulations of quasi-GPDs in the massive Schwinger model

Generalized parton distribution functions (GPDs) are off-diagonal light-cone matrix elements that encode the internal structure of hadrons in terms of quark and gluon degrees of freedom. In this work, we present the first nonperturbative study of quasi-GPDs in the massive Schwinger model, quantum electrodynamics in 1+1 dimensions (QED 2 ), within the Hamiltonian formulation of lattice field theory. Quasidistributions are spatial correlation functions of boosted states, which approach the relevant light-cone distributions in the luminal limit. Using tensor networks, we prepare the first excited state in the strongly coupled regime and boost it to close to the light-cone on lattices of up to 400 lattice sites. We compute both quasiparton distribution functions and, for the first time, quasi-GPDs, and study their convergence for increasingly boosted states. In addition, we perform analytic calculations of GPDs in the two-particle Fock-space approximation and in the Reggeized limit, providing qualitative benchmarks for the tensor network results. Our analysis establishes computational benchmarks for accessing partonic observables in low-dimensional gauge theories, offering a starting point for future extensions to higher dimensions, non-Abelian theories, and quantum simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1975

Slushy weightings for the optimal pilot model

A pilot model is described which accounts for the effect of motion cues in a well defined visual tracking task. The effect of visual and motion cues are accounted for in the model in two ways. First, the observation matrix in the pilot model is structured to account for the visual and motion inputs presented to the pilot. Secondly, the weightings in the quadratic cost function associated with the pilot model are modified to account for the pilot's perception of the variables he considers important in the task. Analytic results obtained using the pilot model are compared to experimental results and in general good agreement is demonstrated. The analytic model yields small improvements in tracking performance with the addition of motion cues for easily controlled task dynamics and large improvements in tracking performance with the addition of motion cues for difficult task dynamics.

Dillow, J. D.↗
NASA NTRS1975

The life and times of Big Bertha - Lunar breccia 14321

The assembly and metamorphic history of polymict breccia 14321 are reconstructed. The earliest formed fragmental component of 14321 (microbreccia-1) is dominated by KREEP-rich norite, extruded and subsequently brecciated and lithified in an ejecta blanket at approximately 1000 C in the general region of Mare Imbrium after the Serenitatis impact but prior to the Imbrium impact. This early microbreccia component and lesser amounts of mare-type basalt, microgranite, rhyolite glass, anorthosite and olivine microbreccia were assembled at the Apollo 14 site as part of the Fra Mauro ejecta blanket from the Imbrium impact. The resulting microbreccia-3 incorporates all the lithic types above and accretionary lapilli structures (microbreccia-2) in a dark matrix annealed at approximately 700 C. A later impact on the Fra Mauro excavated and mutually abraded microbreccia-3 and a local, 14321-type, basalt which were assembled into polymict breccia 14321. Final placement of 14321 at its sampling location was accomplished during the minor Cone Crater impact event.

Duncan, A. R.↗
NASA NTRS1977

Apollo 14 revisited, or breccias aren't so bad after all

A study of large Apollo 14 samples suggests that they were formed by the same processes which formed the impactites found at Apollo 16 and 17 and in terrestrial craters, especially those in crystalline targets. The abundant crystalline matrix breccias of the Apollo 14 samples generally show higher clast contents and less refractory clast populations than the clast-laden impact melts abundant at the other Apollo nonmare landing sites. The Apollo 14 characteristics are attributed to the mixing of a greater amount of cold clastic debris into the superheated melt formed during impacts. The other major lithology at Apollo 14, the vitric matrix breccias, are made in part from agglutinate-bearing soil and cannot be the protolith of crystalline matrix breccias, because of differences in structure and composition. Variations among the breccias indicate the occurrence of several impact events.

Simonds, C. H.↗
NASA NTRS1977

NASTRAN hydroelastic modal studies. Volume 1: Introduction, theory, and results

The implementation of a general three-dimensional hydroelastic capability in the NASTRAN computer program is described. A method for analyzing the combined mode shapes of arbitrary fluid and structure finite element models was developed. The fluid was modeled with three-dimensional solid elements with options for tetrahedron, wedge, and hexahedron shapes. The elements were then connected to fluid grid points which defined the pressure in the fluid at the specified location. Matrices were formulated to provide efficient solutions for large-order problems. The structure matrices were processed separately and could be reduced using matrix condensation procedures or through a modal formulation using the normal modes of the empty structure as solution coordinates. The fluid/structure interface and the free surface were defined by the user with special NASTRAN boundary elements. A special purpose mesh generator program was provided to generate the actual NASTRAN data cards for the fluid, the structure, and the boundary elements for typical tank-type models.

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