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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A theoretical investigation of the hydrolysis of uranium hexafluoride: the initiation mechanism and vibrational spectroscopy

Depleted uranium hexafluoride (UF 6 ), a stockpiled byproduct of the nuclear fuel cycle, reacts readily with atmospheric humidity, but the mechanism is poorly understood. Here we compare several potential initiation steps at a consistent level of theory, generating underlying structures and vibrational modes using hybrid density functional theory (DFT) and computing relative energies of stationary points with double-hybrid (DH) DFT. A benchmark comparison is performed to assess the quality of DH-DFT data using reference energy differences obtained using a complete-basis-limit coupled-cluster (CC) composite method. The associated large-basis CC computations were enabled by a new general-purpose pseudopotential capability implemented as part of this work. Dispersion-corrected parameter-free DH-DFT methods, namely PBE0-DH-D3(BJ) and PBE-QIDH-D3(BJ), provided mean unsigned errors within chemical accuracy (1 kcal mol -1 ) for a set of barrier heights corresponding to the most energetically favorable initiation steps. The hydrolysis mechanism is found to proceed via intermolecular hydrogen transfer within van der Waals complexes involving UF 6 , UF 5 OH, and UOF 4 , in agreement with previous studies, followed by the formation of a previously unappreciated dihydroxide intermediate, UF 4 (OH) 2 . The dihydroxide is predicted to form under both kinetic and thermodynamic control, and, unlike the alternate pathway leading to the UO 2 F 2 monomer, its reaction energy is exothermic, in agreement with observation. Finally, harmonic and anharmonic vibrational simulations are performed to reinterpret literature infrared spectroscopy in light of this newly identified species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Correspondence between Color Glass Condensate and High-Twist Formalism

The color glass condensate (CGC) effective theory and the collinear factorization at high twist (HT) are two well-known frameworks describing perturbative QCD multiple scatterings in nuclear media. It has long been recognized that these two formalisms have their own domain of validity in different kinematic regions. Taking direct photon production in proton-nucleus collisions as an example, we clarify for the first time the relation between CGC and HT at the level of a physical observable. We show that the CGC formalism beyond shock-wave approximation, and with the Landau-Pomeranchuk-Migdal interference effect is consistent with the HT formalism in the transition region where they overlap. Such a unified picture paves the way for mapping out the phase diagram of parton density in nuclear medium from dilute to dense region.

Parton distribution functions↗
NASA NTRS2005

UltraSail - Ultra-Lightweight Solar Sail Concept

UltraSail is a next-generation high-risk, high-payoff sail system for the launch, deployment, stabilization and control of very large (sq km class) solar sails enabling high payload mass fractions for high (Delta)V. Ultrasail is an innovative, non-traditional approach to propulsion technology achieved by combining propulsion and control systems developed for formation-flying micro-satellites with an innovative solar sail architecture to achieve controllable sail areas approaching 1 sq km, sail subsystem area densities approaching 1 g/sq m, and thrust levels many times those of ion thrusters used for comparable deep space missions. Ultrasail can achieve outer planetary rendezvous, a deep space capability now reserved for high-mass nuclear and chemical systems. One of the primary innovations is the near-elimination of sail supporting structures by attaching each blade tip to a formation-flying micro-satellite which deploys the sail, and then articulates the sail to provide attitude control, including spin stabilization and precession of the spin axis. These tip micro-satellites are controlled by 3-axis micro-thruster propulsion and an on-board metrology system. It is shown that an optimum spin rate exists which maximizes payload mass.

Burton, Rodney L.↗
DOE OSTI2025

Application of a Triple Bubbler Inside Molten Salt for Pyroprocessing Safeguards Purposes

The application of a triple bubbler system within molten salt environments, specifically a eutectic mixture of LiCl-KCl, is explored for nuclear safeguards purposes, focusing on nuclear material accountancy (NMA) and holdup accountancy in pyroprocessing techniques. Traditional holdup accountancy methods, which involve periodic sampling and lengthy lead times, are being supplemented by the development of actinide sensors using electrochemistry. However, these methods alone are insufficient to meet regulatory requirements set by agencies like NRC and IAEA. The triple bubbler device measures salt level, density, and surface tension simultaneously using three dip tubes of varying diameters and heights. This study investigates the accuracy and robustness of the triple bubbler in molten salt conditions at temperatures ranging from 450-550°C. The updated bubbler design, utilizing tantalum metal and larger tube geometry, demonstrated minimal plugging and maintained measurement accuracy within acceptable uncertainties: 0.611% for depth, 1.34% for density, and approximately 40% for surface tension. Results indicate that the triple bubbler system is effective for real-time, accurate measurements in pyroprocessing environments, making it a promising tool for ensuring compliance with nuclear safeguards and supporting nuclear non-proliferation efforts.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Isotope Shifts of Radium Monofluoride Molecules

Isotope shifts of 223–226,228 Ra 19 F were measured for different vibrational levels in the electronic transition A 2 II 1/2 ←X 2 Σ + . The observed isotope shifts demonstrate the particularly high sensitivity of radium monofluoride to nuclear size effects, offering a stringent test of models describing the electronic density within the radium nucleus. Ab initio quantum chemical calculations are in excellent agreement with experimental observations. These results highlight some of the unique opportunities that short-lived molecules could offer in nuclear structure and in fundamental symmetry studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Progress on the R-matrix Analysis for the n+ 181 Ta Evaluation [Slides]

This presentation discusses how nuclear data evaluations can influence the accuracy of computational nuclear design calculations. It also discusses the motivation for a new evaluation of 181 Ta. The goals of the evaluations are to generate a set of resonance parameters in the Resolved Resonance Region (RRR) that extends up to 2.6 keV, to generate a set of average resonance parameters in the Unresolved Resonance Region (URR) up to 100 keV (derived from the RRR parameters), and to generate covariance information for both RRR and URR. The presentation discusses how several different experimental data sets will be fit simultaneously in the evaluation of 181 Ta. It states that the level density of 181 Ta can make R-matrix fitting a challenge as the width of the levels increase with energy (as well as decreasing experimental resolution) and the measured resonances can overlap. The presentation concludes by discussing R-matrix analysis and covariance information as the latter is important when propagated to quantify the uncertainty on output responses of nuclear design calculations such as the multiplication factor k .

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS2014

Initial Operation and Shakedown of the Nuclear Thermal Rocket Element Environmental Simulator (NTREES)

To support the on-going nuclear thermal propulsion effort, a state-of-the-art non nuclear experimental test setup has been constructed to evaluate the performance characteristics of candidate fuel element materials and geometries in representative environments. The facility to perform this testing is referred to as the Nuclear Thermal Rocket Element Environment Simulator (NTREES). This device can simulate the environmental conditions (minus the radiation) to which nuclear rocket fuel components will be subjected during reactor operation. Prototypical fuel elements mounted in the simulator are inductively heated in such a manner so as to accurately reproduce the temperatures and heat fluxes which would normally occur as a result of nuclear fission in addition to being exposed to flowing hydrogen. Recent upgrades to NTREES now allow power levels 24 times greater than those achievable in the previous facility configuration. This higher power operation will allow near prototypical power densities and flows to finally be achieved in most prototypical fuel elements.

Emrich, William J., Jr.↗
NASA NTRS1981

Advances in space power research and technology at the National Aeronautics and Space Administration

Progress and plans in various areas of the NASA Space Power Program are discussed. Solar cell research is narrowed to GaAs, multibandgap, and thin Si cells for arrays in planar and concentrator configurations, with further work to increase cell efficiency, radiation hardness, develop flexible encapsulants, and reduce cost. Electrochemical research is concentrating on increasing energy and power density, cycle and wet stand life, reliability and cost reduction of batteries. Further development of the Ni-H2 battery and O2-H2 fuel cell to multihundred kW with a 5 year life and 30,000 cycles is noted. Basic research is ongoing for alkali metal anodes for high energy density secondary cells. Nuclear thermoelectric propulsion is being developed for outer planets exploration propulsion systems, using Si-Ge generators, and studies with rare earth chalcogenides and sulfides are mentioned. Power Systems Management seeks to harmonize increasing power supply levels with inner and outer spacecraft environments, circuits, demands, and automatic monitoring. Concomitant development of bipolar transistors, an infrared rectenna, spacecraft charging measurement, and larger heat pipe transport capacity are noted.

Mullin, J. P.↗
DOE OSTI2024

Spin Decoherence in VOPc@graphene Nanoribbon Complexes

Carbon nanoribbons or nanographene qubit arrays can facilitate quantum-to-quantum transduction between light, charge, and spin, making them an excellent testbed for fundamental science in quantum coherent systems and for the construction of higher-level qubit circuits. Here, in this work, we study spin decoherence due to coupling with a surrounding nuclear spin bath of an electronic molecular spin of a vanadyl phthalocyanine (VOPc) molecule integrated onto an armchair-edged graphene nanoribbon (GNR). Density functional theory (DFT) is used to obtain ground-state atomic configurations. Decay of spin coherence in Hahn echo experiments is then simulated using the cluster correlation expansion method with a spin Hamiltonian involving hyperfine and electric field gradient tensors calculated from DFT. We find that the decoherence time T 2 is anisotropic with respect to magnetic field orientation and determined only by the hydrogen nuclear spins on both VOPc and GNR. Large electron spin echo envelope modulation (ESEEM) due to nitrogen and vanadium nuclear spins is present at specific field ranges and can be completely suppressed by tuning the magnetic field. The relation between these field ranges and the hyperfine interactions is analyzed. The effects of interactions with the nuclear quadrupole moments are also studied, validating the applicability and limitations of the spin Hamiltonian when they are disregarded.

Hamiltonians↗
DOE OSTI2020

Two-Nucleon Short-Range Correlations in Light Nuclei

Understanding the nucleon-nucleon interaction is a fundamental task in nuclear physics, as NN interaction models are a crucial input to modern nuclear structure calculations. While great progress has been made toward understanding this interaction, the available state-of-the-art models predict significantly different behaviors at short distances and high momenta (scale-and-scheme dependence), where two-nucleon Short-Range Correlations (SRCs) dominate the nuclear wave function. Thus, SRCs are a unique tool to constrain the NN interaction and vice versa. SRCs are naturallyoccurring high-local-density NN pairs that, as a result of their short-distance (approx. 0.1 fm) repulsive interaction, fly apart with high momenta, hence populating momentum states above the Fermi level. The study of SRCs also has significant implications for other fields, such as the astrophysics of neutron stars and the behavior of cold atomic gasses. This thesis describes experimental and phenomenological studies of the short-distance / high-momentum structure of the NN interaction through the study of SRCs and vice versa. Experimentally, I report the first measurement of the 3He and 3H(e,e'p) reactions in Hall A of the Thomas Jefferson National Accelerator Facility in kinematics in which the measured cross sections should be sensitive to the underlying nucleon momentum distributions in the range 40 to 500 MeV/c. The resulting cross-section ratios and absolute cross sections were compared to momentum-distribution ratios and precise cross-section calculations respectively. Phenomenologically, I report the generalization of the Contact Formalism (GCF) to nuclear systems, which exploits scale separation and universality to describe nucleons at short distances and high momenta.

Cruz Torres, Reynier↗
DOE OSTI2025

The Rise of US Photovoltaics: An Exploration of Land Use Density Trends in Large‐Scale Solar Facility Attributes, 2012–2021

An energy transition is underway in the United States; renewable energy generation is now on par with coal and nuclear generation. The number of large-scale solar photovoltaic facilities increased approximately tenfold between 2012 and 2021, with an associated 25-fold increase in cumulative installed capacity. With ambitious decarbonization and renewable energy deployment goals at both the federal and state levels, deployments of large-scale solar photovoltaic facilities will continue apace. This growth is likely to be complex with ripples of impacts felt throughout different aspects of society, and thus accurate solar land use metrics allowing more accurate predictions are of value to policymakers, planners, and other stakeholders in the future photovoltaic build-out. In this paper, we leverage data from the newly released US Large-Scale Solar Photovoltaic Database to examine recent trends in large-scale solar photovoltaic land use. We analyze the relationships between solar array capacity density (W/acre) and a range of facility attributes to better understand the future land requirements of solar capacity expansion over the coming years. Installed capacity was the single strongest determinant of solar array area. However, we found substantial variation in capacity density across facility attributes, including mount type, latitude, urbanicity, time, and prior land use.

14 SOLAR ENERGY↗
DOE OSTI2020

Hyperfine and quadrupole interactions for Dy isotopes in DyPc 2 molecules

Nuclear spin levels play a vital role in understanding magnetization dynamics and implementation and control of quantum bits in lanthanide-based single-molecule magnets. We investigate the hyperfine and nuclear quadrupole interactions for 161 Dy and 163 Dy nuclei in anionic DyPc 2 (Pc=phthalocyanine) single-molecule magnets, using multiconfigurational ab initio methods (beyond density-functional theory) including spin–orbit interaction. The two isotopes of Dy are chosen because the others have zero nuclear spin. Both isotopes have the nuclear spin I =5/2, although the magnitude and sign of the nuclear magnetic moment differ from each other. The large energy gap between the electronic ground and first-excited Kramers doublets, allows us to map the microscopic hyperfine and quadrupole interaction Hamiltonian onto an effective Hamiltonian with an electronic pseudo-spin that corresponds to the ground Kramers doublet. Our ab initio calculations illustrate that the coupling between the nuclear spin and electronic orbital angular momentum contributes the most to the hyperfine interaction and that both the hyperfine and nuclear quadrupole interactions for 161 Dy and 163 Dy nuclei are much smaller than those for the 159 Tb nucleus in TbPc 2 single-molecule magnets. The calculated separations of the electronic-nuclear levels are comparable to experimental data reported for 163 DyPc 2 . We demonstrate that hyperfine interaction for the Dy Kramers ion leads to tunnel splitting (or quantum tunneling of magnetization) at zero field. This effect does not occur for TbPc 2 single-molecule magnets. The magnetic field values of the avoided level crossings for 161 DyPc 2 and 163 DyPc 2 are found to be noticeably different, which can be observed from the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Atomic-Level Structure of Mesoporous Hexagonal Boron Nitride Determined by High-Resolution Solid-State Multinuclear Magnetic Resonance Spectroscopy and Density Functional Theory Calculations

Mesoporous hexagonal boron nitride (p-BN) has received significant attention over the last decade as a promising candidate for water cleaning/pollutant removal and hydrogen storage applications. In this work, high-resolution solid-state NMR spectroscopy and plane-wave density-functional theory (DFT) calculations are used to obtain an atomic-level description of p-BN. 1 H– 15 N or 1 H– 14 N heteronuclear (HETCOR) correlation experiments recorded with either conventional NMR at room temperature or dynamic nuclear polarization surface-enhanced spectroscopy (DNP-SENS) at ca. 100 K reveal NB 2 H, NBH 2 , NBH 3 + species residing on the edges of BN sheets. Ultra-high field 35.2 T 11 B NMR spectroscopy was used to resolve 11 B NMR signals from BN 3 , BN 2 O x (OH) 1–x (x = 0–1), BNO x (OH) 2–x (x = 0–2), BO x (OH) 3–x (x = 0–3), and BO x (OH) 4–x – (x = 0–4). Importantly, 2D 11 B dipolar double-quantum–single-quantum homonuclear correlation spectra reveal that many pore/defect sites are composed of boron oxide/hydroxide clusters connected to the BN framework through BN 2 O units. 1D and 2D 11 B{ 15 N} HETCOR NMR experiments, in addition to plane-wave DFT calculations of nine different structural models, further confirm the assignment of all NMR signals. The detailed structure determination of the pore and edge/defect sites within p-BN should further enable the rational design and development of next-generation p-BN-based materials. In addition, the techniques outlined here should be applicable to determine structure within other porous and/or boron-based materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Plasma stopping-power measurements reveal transition from non-degenerate to degenerate plasmas

Physically realized electron gas systems usually reside in either the quantum non-degenerate or fully degenerate limit, where the average de Broglie wavelength of the thermal electrons becomes comparable with the interparticle distance between electrons. A few systems, such as young brown dwarfs and the cold dense fuels created in imploded cryogenic capsules at the National Ignition Facility, lie between these two limits and are partially degenerate. The National Ignition Facility has the unique capability of varying the electron quantum degeneracy by adjusting the laser drive used to implode the capsules. This allows experimental studies of the effects of the degeneracy level on plasma transport properties. By measuring rare nuclear reactions in these cold dense fuels, we show that the electron stopping power, which is the rate of energy loss per unit distance travelled by a charged particle, changes with increasing electron density. We observe a quantum-induced shift in the peak of the stopping power using diagnostics that measure above and below this peak. The observed changes in the stopping power are shown to be unique to the transition region between non-degenerate and degenerate plasmas. Furthermore, our results support the screening models applied to partially degenerate astrophysical systems such as young brown dwarfs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Varying Quantum Degeneracy in Plasmas Created at the National Ignition Facility [Slides]

Physically realized electron gas systems usually reside in either the quantum non-degenerate or fully degenerate limit, where the average de Broglie wavelength of the thermal electrons becomes comparable with the interparticle distance between electrons. A few systems, such as young brown dwarfs and the cold dense fuels created in imploded cryogenic capsules at the National Ignition Facility, lie between these two limits and are partially degenerate. The National Ignition Facility has the unique capability of varying the electron quantum degeneracy by adjusting the laser drive used to implode the capsules. This allows experimental studies of the effects of the degeneracy level on plasma transport properties. By measuring rare nuclear reactions in these cold dense fuels, we show that the electron stopping power, which is the rate of energy loss per unit distance travelled by a charged particle, changes with increasing electron density. We observe a quantum-induced shift in the peak of the stopping power using diagnostics that measure above and below this peak. The observed changes in the stopping power are shown to be unique to the transition region between non-degenerate and degenerate plasmas. Our results support the screening models applied to partially degenerate astrophysical systems such as young brown dwarfs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2003

Ultrasail

Ultrasail is a complete sail system for the launch, deployment, stabilization and control of very large solar sails enabling reduced mission times for interplanetary and deep space spacecraft. Ultrasail is an innovative, non-traditional approach to propulsion technology achieved by combining propulsion and control systems developed for formation-flying microsatellites with an innovative solar sail architecture to achieve sq km-class controllable sail areas, sail subsystem area densities of 1 gm per sq m, and thrust levels equivalent to 400 kW ion thruster systems used for comparable deep space missions. Ultrasail can conceivably even achieve outer planetary rendezvous, a deep space capability now reserved for high-mass nuclear and chemical systems. Ultrasail is a Delta IV-launched multi-blade spin-stabilized system with blade lengths as long as 50 km, reminiscent of the MacNeal Heliogyro. The primary innovation is the near-elimination of sail supporting structures by attaching the sail tip to a rigid formation-flying microsatellite truss which deploys the sail blade, and which then articulates the blade to provide attitude control, including spin stabilization and precession of the spin axis. These tip microsatellites are controlled by a solar-powered 3-axis microthruster system (electric or cold gas) to maintain proper sail film tension during deployment and spin-up. The satellite mass also provides a stabilizing centrifugal force on the blade while in rotation. Understanding the dynamics of individual blades is key to the overall dynamics of Ultrasail. Forces and torques that must be modeled include those due to solar pressure, those generated by the microsatellite at the blade tip and by torques applied at the blade root. Centrifugal forces also play a significant role in the deployment and maintenance of the sail configuration. To capture the dynamics of the overall system, the equations of motion for the blades have been derived. Using these differential equations, a control law will be derived to maneuver Ultrasail. This law involves the pitching of the individual blades thereby moving the distribution of the radiation pressure on each individual blade and inducing a resultant torque on the system. The direction of the angular momentum vector and its rate of precession can be controlled through the pitch angle of the blades. The Ultrasail trajectory is also being studied. Optimal or near-optimal trajectories are being generated to showcase Ultrasail performance. Various missions, e.g. outer planet and solar polar missions for observation of the Sun, are currently being investigated to demonstrate the performance enhancements generated by Ultrasail technology. Calculus-of-variations-based optimization software is used to produce optimal Ultrasail trajectories. The performance of these trajectories is being compared to optimal results generated with other propulsion models, including chemical propulsion, ion propulsion, and competing solar sail concepts. Results of these studies will quantify the performance of Ultrasail compared to existing solar sail concepts for high energy missions.

Burton, R.↗
DOE OSTI2026

Toward an event-level analysis of hadron structure using differential programming

Reconstructing the internal properties of hadrons in terms of fundamental quark and gluon de- grees of freedom is a central goal in nuclear and particle physics. This effort lies at the core of major experimental programs, such as the Jefferson Lab 12 GeV program and the upcoming Electron-Ion Collider. A primary challenge is the inherent inverse problem: converting large-scale observational data from collision events into the fundamental QCD-defined densities that characterize the micro- scopic structure of hadronic systems. Recent advances in AI and machine learning have opened new avenues for addressing this challenge using deep learning techniques. A particularly promising direction is the integration of complex theoretical calculations and experimental simulations into a unified framework capable of reconstructing these densities directly from event-level information. In this document, we introduce a key algorithm called LOITS, which enables differentiable program- ming within such a framework, facilitating the use of AI/ML techniques to solve the inverse problem of QCF reconstruction at the event level.

Braga, Kevin [College of William and Mary, William↗
DOE OSTI2023

Nuclear explosion monitoring network design considerations

Design of an efficient monitoring network requires information on the type and size of releases to be detected, the accuracy and reliability of the measuring equipment, and the desired network performance. This work provides a scientific basis for optimizing or minimizing networks of 133 Xe samplers to achieve a desired performance level for different levels of release. The approach of this work varies the density of sampling locations to find optimal location subsets, and to explore the properties of variations of those subsets – how crucial is a specific subset; are substitutions problematic? The choice of possible station locations is arbitrary but constrained to some extent by the location of islands, land masses, difficult topography (mountains, etc.) and the places where infrastructure exists to run and support a sampler. Performance is evaluated using hypothetical releases and atmospheric transport models that cover an entire year.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗