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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Reduced bandwidth Compton photons from a laser-plasma accelerator using tailored plasma channels

It has been demonstrated experimentally that laser plasma accelerators can produce multi-100 MeV electron bunches with a few percent energy spread, and from these electrons, multi-MeV quasi-monoenergetic photons have been demonstrated based on Compton up-scattering from a counter-propagating laser. This offers the potential of a high-quality, narrow-bandwidth, compact, photon source with broad application. The bandwidth of the resulting photons depends directly on the distribution of the electron bunch and is limited, in particular, by the bunch divergence (i.e., the spread in transverse velocity angle). At the same time, the ability to decelerate electrons after scattering is important to source deployment. We describe a series of plasma structures that expand and then collimate the electron bunch, reducing its divergence and thus reducing the bandwidth of the scattered photons while enabling both high performance scattering and deceleration. Furthermore, these plasma structures are demonstrated in simulations of the accelerator system, showing the potential to reach few-percent photon spread which is important for applications using nuclear resonance fluorescence.

42 ENGINEERING↗
DOE OSTI2023

Uncertainties in ab initio nuclear structure calculations with chiral interactions

We present theoretical ground state energies and their uncertainties for p -shell nuclei obtained from chiral effective field theory internucleon interactions as a function of chiral order, fitted to two- and three-body data only. We apply a Similary Renormalization Group transformation to improve the numerical convergence of the many-body calculations, and discuss both the numerical uncertainties arising from basis truncations and those from omitted induced many-body forces, as well as chiral truncation uncertainties. With complete Next-to-Next-to-Leading (N 2 LO) order two- and three-body interactions, we find significant overbinding for the ground states in the upper p -shell, but using higher-order two-body potentials, in combination with N 2 LO three-body forces, our predictions agree with experiment throughout the p -shell to within our combined estimated uncertainties. The uncertainties due to chiral order truncation are noticeably larger than the numerical uncertainties, but they are expected to become comparable to the numerical uncertainties at complete N 3 LO.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Methyl-Driven Overhauser Dynamic Nuclear Polarization

The Overhauser effect is unique among DNP mechanisms in that it requires the modulation of the electron-nuclear hyperfine interactions. While it dominates DNP in liquids and metals, where unpaired electrons are highly mobile, Overhauser DNP is possible in insulating solids if rapid structural modulations are linked to a modulation in hyperfine coupling. In this study, we report that Overhauser DNP can be triggered by the strategic addition of a methyl group, demonstrated here in a Blatter’s radical. The rotation of the methyl group leads to a modulation of the hyperfine coupling to its protons, which in turn facilitates electron-nuclear cross-relaxation. Removal of the methyl protons, through deuteration, quenches the process, as does the reduction of the hyperfine coupling strength. This result suggests the possibility for the design of tailor-made Overhauser DNP polarizing agents for high-field MAS-DNP.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Photoproduction of low-p T $J/ψ$ from peripheral to central Pb–Pb collisions at 5.02 TeV

An excess of J/ψ yield at very low transverse momentum (p T < 0.3 GeV/c), originating from coherent photoproduction, is observed in peripheral and semicentral hadronic Pb–Pb collisions at a center-of-mass energy per nucleon pair of $\sqrt{s_{NN}}=$ 5.02 TeV. The measurement is performed with the ALICE detector via the dimuon decay channel at forward rapidity (2.5 < y <4). The nuclear modification factor at very low p T and the coherent photoproduction cross section are measured as a function of centrality down to the 10% most central collisions. These results extend the previous study at $\sqrt{s_{NN}}=$ 2.76 TeV, confirming the clear excess over hadronic production in the p T range 0 – 0.3 GeV/c and the centrality range 70–90%, and establishing an excess with a significance greater than 5σ also in the 50–70% and 30–50% centrality ranges. The results are compared with earlier measurements at $\sqrt{s_{NN}}=$ 2.76 TeV and with different theoretical predictions aiming at describing how coherent photoproduction occurs in hadronic interactions with nuclear overlap.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Thermonuclear neutron emission from a sheared-flow stabilized Z-pinch

We report the fusion Z-pinch experiment (FuZE) is a sheared-flow stabilized Z-pinch designed to study the effects of flow stabilization on deuterium plasmas with densities and temperatures high enough to drive nuclear fusion reactions. Results from FuZE show high pinch currents and neutron emission durations thousands of times longer than instability growth times. While these results are consistent with thermonuclear neutron emission, energetically resolved neutron measurements are a stronger constraint on the origin of the fusion production. This stems from the strong anisotropy in energy created in beam-target fusion, compared to the relatively isotropic emission in thermonuclear fusion. In dense Z-pinch plasmas, a potential and undesirable cause of beam-target fusion reactions is the presence of fast-growing, “sausage” instabilities. This work introduces a new method for characterizing beam instabilities by recording individual neutron interactions in plastic scintillator detectors positioned at two different angles around the device chamber. Histograms of the pulse-integral spectra from the two locations are compared using detailed Monte Carlo simulations. These models infer the deuteron beam energy based on differences in the measured neutron spectra at the two angles, thereby discriminating beam-target from thermonuclear production. An analysis of neutron emission profiles from FuZE precludes the presence of deuteron beams with energies greater than 4.65 keV with a statistical uncertainty of 4.15 keV and a systematic uncertainty of 0.53 keV. This analysis demonstrates that axial, beam-target fusion reactions are not the dominant source of neutron emission from FuZE. These data are promising for scaling FuZE up to fusion reactor conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Calculations of electronic excitation by protons and alpha particles in silicon

This paper presents an ab initio method of calculating the valence electron contribution to the stopping and interaction cross sections of swift ions in matter using linear response calculations of the dielectric function in crystals. We estimate the contribution to the stopping and cross sections by repeated electron capture and stripping of the projectile ion by the medium. We also predict the electronic stopping of protons and alpha particles in silicon and compare to measured values. The predictions generally agree with the data at ion speeds greater than 1 atomic unit. We find that electron capture and stripping is at most a small contribution to the stopping for both ions studied.

electron excitation, silicon, nuclear interactions↗
DOE OSTI2021

Comparison of heavy-ion transport simulations: Mean-field dynamics in a box

Within the transport model evaluation project (TMEP) of simulations for heavy-ion collisions, the mean-field response is examined here. Specifically, zero-sound propagation is considered for neutron-proton symmetric matter enclosed in a periodic box, at zero temperature and around normal density. The results of several transport codes belonging to two families (BUU-like and QMD-like) are compared among each other and to exact calculations. For BUU-like codes, employing the test particle method, the results depend on the combination of the number of test particles and the spread of the profile functions that weight integration over space. These parameters can be properly adapted to give a good reproduction of the analytical zero-sound features. QMD-like codes, using molecular dynamics methods, are characterized by large damping effects, attributable to the fluctuations inherent in their phase-space representation. Moreover, for a given nuclear effective interaction, they generally lead to slower density oscillations, as compared to BUU-like codes. The latter problem is mitigated in the more recent lattice formulation of some of the QMD codes. Furthermore, the significance of these results for the description of real heavy-ion collisions is discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Projected sensitivities of the LUX-ZEPLIN experiment to new physics via low-energy electron recoils

LUX-ZEPLIN is a dark matter detector expected to obtain world-leading sensitivity to weakly-interacting massive particles interacting via nuclear recoils with a ∼7-tonne xenon target mass. This paper presents sensitivity projections to several low-energy signals of the complementary electron recoil signal type: 1) an effective neutrino magnetic moment, and 2) an effective neutrino millicharge, both for 𝑝⁢𝑝-chain solar neutrinos, 3) an axion flux generated by the Sun, 4) axionlike particles forming the Galactic dark matter, 5) hidden photons, 6) mirror dark matter, and 7) leptophilic dark matter. World-leading sensitivities are expected in each case, a result of the large 5.6 t 1000 d exposure and low expected rate of electron-recoil backgrounds in the <100 keV energy regime. A consistent signal generation, background model and profile-likelihood analysis framework is used throughout.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Renormalization group improved photon impact factors and the high energy virtual photon scattering

We perform the renormalization group improved collinear resummation of the photon-gluon impact factors. We construct the resummed cross section for virtual photon-photon (γ ∗ γ ∗ ) scattering which incorporates the impact factors and BFKL gluon Green’s function up to the next-to-leading logarithmic accuracy in energy. The impact factors include important kinematical effects which are responsible for the most singular poles in Mellin space at next-to-leading order. Further conditions on the resummed cross section are obtained by requiring the consistency with the collinear limits. Our analysis is consistent with previous impact factor calculations at NLO, apart from a new term proportional to C F that we find for the longitudinal polarization. Finally, we use the resummed cross section to compare with the LEP data on the γ ∗ γ ∗ cross section and with previous calculations. The resummed result is lower than the leading logarithmic approximation but higher than the pure next-to-leading one, and is consistent with the experimental data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Chemistry of the interaction between an alkoxysilane-based impregnation treatment and cementitious phases

Chemical compatibility with a wide range of materials is among the features that has driven the use of alkoxysilanes as consolidants in built structures. Such compatibility is particularly important in cementitious materials where the reaction with portlandite may generate C-S-H gel, one of the main hydration phases of OPC. The cementitious matrix is a complex system, however, and the reaction of its many phases with alkoxysilanes, while poorly understood, may determine treatment efficacy. This article describes a detailed study of the individual interactions between an oligomeric alkoxysilane-based impregnation treatment previously shown to interact with the portlandite present in cement paste and the cementitious phases generated in ordinary portland cement hydration. The findings show that both portlandite and C-S-H gel interact with the silicon oligomers in the hydrolysed impregnation treatment to generate a C-S-H gel (in the case of portlandite) and a rise in C-S-H gel mean chain length (MCL). Ettringite is also altered in the presence of alkoxysilanes, transforming to gypsum and AH{sub 3}. Its transformation generates a tetrahedral aluminium that is taken up into a high silicon gel sourced from the treatment to form an amorphous aluminosilicate gel. Monocarboaluminate and katoite also partially decompose in the interaction with the product, whereas gibbsite remains unaffected.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Novel Solid Form of Erlotinib: Synthesis by Heterogeneous Complexation and Characterization by NMR Crystallography

We describe the synthesis of a novel complex of the anticancer "active pharmaceutical ingredient erlotinib (ERL) via heterogeneous nucleation on polished zinc tiles. The resulting product, ERL 2 ·ZnCl 2 , is characterized by single-crystal X-ray diffraction, multinuclear solid-state NMR (ssNMR) spectroscopy, and density functional theory (DFT) calculations. Also characterized are the hydrochloride salt (ERL·HCl) and monohydrate free base (ERL·H 2 O) forms of erlotinib. 13 C ssNMR spectroscopy is useful for site-by-site assignment and rapid fingerprinting, while also providing preliminary structural interpretations, such as the number of molecules in the asymmetric unit. 35 Cl ssNMR can readily differentiate between the chloride ions in ERL·HCl and the covalently bonded chlorine in ERL 2 ·ZnCl 2 . 15 N ssNMR proves to be critical here because of the large isotropic chemical shift differences between ERL·H 2 O, ERL·HCl, and ERL 2 ·ZnCl 2 . The 15 N chemical shift tensors are linked directly to differences in structure and bonding with the aid of DFT calculations. Together, these results demonstrate the utility of multinuclear NMR crystallography for the characterization of solid forms of APIs, especially when other analytical techniques face significant challenges.

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

Tetraquark Production by Intrinsic Charm

A number of new four-quark states containing from one to four c or ̅c quarks have been observed recently. Many of these new states have been discovered at the LHC. The production of these states via intrinsic charm in the proton is investigated. The tetraquark masses obtained in this approach, agree well with the measured masses. These calculations can provide some insight into the nature of the tetraquark candidates, whether as a bound meson pair or as a looser configuration of four individual partons which can influence their interactions in nuclear medium, such as in heavy-ion collisions. The kinematic distributions of these states as a function of y and pT are also studied. The possible cross sections for these states are also considered.

Vogt, Ramona [Lawrence Livermore National Laborato↗
DOE OSTI2021

Engineering local strain for single-atom nuclear acoustic resonance in silicon

Mechanical strain plays a key role in the physics and operation of nanoscale semiconductor systems, including quantum dots and single-dopant devices. In this report we describe the design of a nanoelectronic device, where a single nuclear spin is coherently controlled via nuclear acoustic resonance (NAR) through the local application of dynamical strain. The strain drives spin transitions by modulating the nuclear quadrupole interaction. We adopt an AlN piezoelectric actuator compatible with standard silicon metal–oxide–semiconductor processing and optimize the device layout to maximize the NAR drive. We predict NAR Rabi frequencies of order 200 Hz for a single 123Sb nucleus in a wide region of the device. Spin transitions driven directly by electric fields are suppressed in the center of the device, allowing the observation of pure NAR. Using electric field gradient-elastic tensors calculated by the density-functional theory, we extend our predictions to other high-spin group-V donors in silicon and to the isoelectronic 73Ge atom.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Performance evaluation of cosmic ray muon trajectory estimation algorithms

Muons, being elementary particles with minimal interaction with nuclear materials and abundant at sea level, have sparked interest in utilizing them for imaging various applications, such as mining [Borselli et al., Sci. Rep. 12, 22329 (2022)], volcano imaging [Nagamine et al., Nucl. Instrum. Meth. A, 356, 585(1995)], and underground tunnel detection [Guardincerri et al., Pure Appl. Geophys. 174, 2133 (2017)]. Recently, their use in nuclear nonproliferation and safeguard verification has gained attention, particularly in cargo screening for nuclear waste smuggling [Baesso et al., J. Instrum. 9, C10041 (2014)], source localization [L. J. Schultz et al., Nucl. Instrum. Meth. A 519, 687 (2004)], and locating nuclear fuel debris in reactors [Borozdin et al., Phys. Rev. Let. 109, 152501 (2012)]. However, the resolution of muon image reconstruction techniques is limited due to multiple Coulomb scattering (MCS) within the target object. To achieve robust muon tomography, it is crucial to develop efficient and flexible physics-based algorithms that can model the MCS process accurately and estimate the most probable trajectory of muons as they pass through the target object. To address this limitation, in this study, a novel algorithmic approach utilizing the Bayesian probability theory and Gaussian approximation of MCS is chosen. Different energy levels, materials, and target sizes were considered in the evaluations. The results demonstrate that the Generalized Muon Trajectory Estimation (GMTE) algorithm offers significant improvements over currently used algorithms. Across all test scenarios, the GMTE algorithm demonstrated ~50% and 38% increase in precision compared to Straight Line Path (SLP) and Point of Closest Approach (PoCA) algorithms, respectively. Furthermore, it exhibited 10%–35% and 10%–15% increases in muon flux utilization for high and medium Z materials, respectively, compared to the PoCA algorithm. In conclusion, the extensive simulations confirm the enhanced performance and efficiency of the GMTE algorithm, offering improved resolution and reduced measurement time for cosmic ray muon imaging compared to the current SLP and PoCA algorithms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Angular distribution of neutron production by proton and carbon-ion therapeutic beams

Carbon-ion beams are increasingly used in the clinical practice for external radiotherapy treatments of deep-seated tumors. At therapeutic energies, carbon ions yield significant secondary products, including neutrons, which may be of concern for the radiation protection of the patient and personnel. We simulated the neutron yield produced by proton and carbon-ion pencil beams impinging on a clinical phantom at three different angles: 15°, 45° and 90°, with respect to the beam axis. We validated the simulated results using the measured response of organic scintillation detectors. We compared the results obtained with FLUKA 2011.2 and MCNPX 2.7.0 based on three different physics models: Bertini, Isabel, and CEM. Over the different ions, energies, and angles, the FLUKA simulation results agree better with the measured data, compared to the MCNPX results. Simulations of carbon ions at low angles exhibit both the highest deviation from measured data and inter-model discrepancy, which is probably due to the different treatment of the pre-equilibrium stage. The reported neutron yield results could help in the comparison of carbon-ion and proton treatments in terms of secondary neutron production for radiation protection applications.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

The essential character of the neutrino mechanism of core-collapse supernova explosions

Abstract Calibrating with detailed 2D core-collapse supernova (CCSN) simulations, we derive a simple CCSN explosion condition based solely upon the terminal density profiles of state-of-the-art stellar evolution calculations of the progenitor massive stars. This condition captures the vast majority of the behaviour of the one hundred 2D state-of-the-art models we performed to gauge its usefulness. The goal is to predict, without resort to detailed simulation, the explodability of a given massive star. We find that the simple maximum fractional ram pressure jump discriminant we define works well ∼90 per cent of the time and we speculate on the origin of the few false positives and false negatives we witness. The maximum ram pressure jump generally occurs at the time of accretion of the silicon/oxygen interface, but not always. Our results depend upon the fidelity with which the current implementation of our code F ornax adheres to Nature and issues concerning the neutrino–matter interaction, the nuclear equation of state, the possible effects of neutrino oscillations, grid resolution, the possible role of rotation and magnetic fields, and the accuracy of the numerical algorithms employed remain to be resolved. Nevertheless, the explodability condition we obtain is simple to implement, shows promise that it might be further generalized while still employing data from only the unstable Chandrasekhar progenitors, and is a more credible and robust simple explosion predictor than can currently be found in the literature.

Astronomy & Astrophysics↗
DOE OSTI2020

Evolution of nontrivial Fermi surface features in the band structures of the homologous members Pb 5 Bi 6 Se 14 and Pb 5 Bi 12 Se 23

High-quality single crystals of (PbSe) 5 (Bi 2 Se 3 ) 3m were grown and analyzed by nuclear magnetic resonance (NMR) spectroscopy. We report on 77 Se and 207 Pb NMR shifts and nuclear spin-lattice relaxation measurements in the naturally formed heterostructure homology (PbSe) 5 (Bi 2 Se 3 ) 3m with m = 1 (Pb 5 Bi 6 Se 14 ) and m = 2 (Pb 5 Bi 12 Se 23 ). A distinct site-specific contribution has been detected for both nuclei as a function of temperature, which reveals an electronic changeover from a semiconducting (Pb 5 Bi 6 Se 14 ) to a semimetalliclike (Pb 5 Bi 12 Se 23 ) system with nontrivial band structure features near the Fermi level. The temperature dependences of the relaxation rates are dominated by significant changes in the topology of energy dispersions accompanied with band edges and crossings in the region of the Fermi surface. These results, which interrogate nuclear spin interactions from selected atomic sites, clearly expose the effects of the added Bi 2 Se 3 layer on the crystal and electronic structure of (Pb 5 Bi 12 Se 23 ). These findings provide direct microscopic insight into the unconventional and dual nature of the electronic structure of these homologous thermoelectric and topologically nontrivial compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗