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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

PULSAR TIMING ERRORS FROM ASYNCHRONOUS MULTI-FREQUENCY SAMPLING OF DISPERSION MEASURE VARIATIONS

Free electrons in the interstellar medium cause frequency-dependent delays in pulse arrival times due to both scattering and dispersion. Multi-frequency measurements are used to estimate and remove dispersion delays. In this paper, we focus on the effect of any non-simultaneity of multi-frequency observations on dispersive delay estimation and removal. Interstellar density variations combined with changes in the line of sight from pulsar and observer motions cause dispersion measure (DM) variations with an approximately power-law power spectrum, augmented in some cases by linear trends. We simulate time series, estimate the magnitude and statistical properties of timing errors that result from non-simultaneous observations, and derive prescriptions for data acquisition that are needed in order to achieve a specified timing precision. For nearby, highly stable pulsars, measurements need to be simultaneous to within about one day in order for the timing error from asynchronous DM correction to be less than about 10 ns. We discuss how timing precision improves when increasing the number of dual-frequency observations used in DM estimation for a given epoch. For a Kolmogorov wavenumber spectrum, we find about a factor of two improvement in precision timing when increasing from two to three observations but diminishing returns thereafter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Improving Qubit Coherence Time Through Detailed Materials Analysis

This study investigates the defects, imperfections, and variations in Nb thin films deposited on sapphire substrates. Two samples, W114 and W118, were fabricated using DC Magnetron Sputtering and Electron Cyclotron Resonance (ECR), respectively. Each sample was analyzed at five distinct spots to compare elemental homogeneity and variations in oxide layers. Scanning Electron Microscopy (SEM) was employed to examine surface morphology, while Energy Dispersive X-ray Spectroscopy (EDS) and X-ray Photoelectron Spectroscopy (XPS) provided elemental and chemical state analyses. SEM revealed distinct structures in W114 and a uniform surface in W118. EDS showed higher aluminum signals in W118, indicating a thinner film in comparison to W114. XPS detected a higher Nb₂O₅ signal in W118, in comparison to W114, which can be attributed to the presence of a thicker Nb₂O₅ layer in W118. These findings highlight the critical role of precise material characterization in advancing quantum computing technologies.

Rosado Bonilla, Cristy M.↗
DOE OSTI2024

High‐speed 4‐dimensional scanning transmission electron microscopy using compressive sensing techniques

Abstract Here we show that compressive sensing allows 4‐dimensional (4‐D) STEM data to be obtained and accurately reconstructed with both high‐speed and reduced electron fluence. The methodology needed to achieve these results compared to conventional 4‐D approaches requires only that a random subset of probe locations is acquired from the typical regular scanning grid, which immediately generates both higher speed and the lower fluence experimentally. We also consider downsampling of the detector, showing that oversampling is inherent within convergent beam electron diffraction (CBED) patterns and that detector downsampling does not reduce precision but allows faster experimental data acquisition. Analysis of an experimental atomic resolution yttrium silicide dataset shows that it is possible to recover over 25 dB peak signal‐to‐noise ratio in the recovered phase using 0.3% of the total data. Lay abstract : Four‐dimensional scanning transmission electron microscopy (4‐D STEM) is a powerful technique for characterizing complex nanoscale structures. In this method, a convergent beam electron diffraction pattern (CBED) is acquired at each probe location during the scan of the sample. This means that a 2‐dimensional signal is acquired at each 2‐D probe location, equating to a 4‐D dataset. Despite the recent development of fast direct electron detectors, some capable of 100kHz frame rates, the limiting factor for 4‐D STEM is acquisition times in the majority of cases, where cameras will typically operate on the order of 2kHz. This means that a raster scan containing 256^2 probe locations can take on the order of 30s, approximately 100‐1000 times longer than a conventional STEM imaging technique using monolithic radial detectors. As a result, 4‐D STEM acquisitions can be subject to adverse effects such as drift, beam damage, and sample contamination. Recent advances in computational imaging techniques for STEM have allowed for faster acquisition speeds by way of acquiring only a random subset of probe locations from the field of view. By doing this, the acquisition time is significantly reduced, in some cases by a factor of 10‐100 times. The acquired data is then processed to fill‐in or inpaint the missing data, taking advantage of the inherently low‐complex signals which can be linearly combined to recover the information. In this work, similar methods are demonstrated for the acquisition of 4‐D STEM data, where only a random subset of CBED patterns are acquired over the raster scan. We simulate the compressive sensing acquisition method for 4‐D STEM and present our findings for a variety of analysis techniques such as ptychography and differential phase contrast. Our results show that acquisition times can be significantly reduced on the order of 100‐300 times, therefore improving existing frame rates, as well as further reducing the electron fluence beyond just using a faster camera.

Robinson, Alex W.↗
DOE OSTI2018

RFA for Solar/Geothermal Hybrid Thermal Energy Storage Modeling: Cooperative Research and Development Final Report, CRADA Number CRD-16-646

Hyperlight Energy is an innovative concentrated solar power (CSP) company whose business charter is to commercialize a disruptively low-cost, CSP collector system that is ultimately for providing heat for solar thermal/geothermal hybrid power plants, process heat applications (e.g., enhanced oil recovery), and solar thermal power generation. Hyperlight's CSP collector system utilizes a linear Fresnel reflector (LFR) configuration. This LFR configuration consists of mirrors mounted in low-cost, precision plastic extrusions, which are integrated into raft assemblies and floated on low-cost, sealed waterbeds. Hyperlight's CSP collector technology has been developed under private equity investment, government grant and commercial funding. Hyperlight has been awarded a 1.5-million DOE COLLECTS contract with an additional 1.6 million in matched funds from private investment and the California Energy Commission. This DOE project will support the final steps of product development for bulk commercialization and deployment of the Hyperlight CSP collector system. The work will culminate in a final operational deployment at a commercially relevant site. Several such site options are currently under evaluation, including two geothermal sites. Hyperlight identified a very low-cost way to put renewable energy electrons on the grid at peak times, upgrading underutilized geothermal plants with Hyperlight's low cost CSP and thermal energy storage (TES). While Hyperlight's CSP collector work is maturing quickly for commercial pilot launch, an optimal TES system for solar thermal/geothermal hybridization needs to be evaluated and ultimately developed so Hyperlight can develop commercial retrofit projects at a scale of hundreds of megawatts of renewable energy power output at sites across the United States, followed by greenfield projects in a multi-GW sized market.

15 GEOTHERMAL ENERGY↗
DOE OSTI2013

Controllable growth and photocatalytic activity of Cu{sub 2}O solid microspheres

Graphical abstract: - Highlights: • 3 μm uniform Cu{sub 2}O solid microspheres with abundant nanopores are achieved. • NH{sub 2}OH·HCl and SDS are main factors that manipulate morphologies of Cu{sub 2}O particles. • Surface features of microspheres influenced the photocatalytic activity of Cu{sub 2}O. • Microspheres are transforming to polyhedrons with extended holding time. - Abstract: A series of Cu{sub 2}O solid microspheres with different surface features were prepared and their photocatalytic activities were studied. The experiment conditions were investigated and the formation mechanism was explored systematically. It was found that varying the amounts of NH{sub 2}OH·HCl reductant in alkaline solutions changed the reaction process and thus altered the surface features of Cu{sub 2}O microspheres. Sodium dodecyl sulfate (SDS) surfactant, introduced as a morphology directing agent, caused the nuclei aggregation and growth process of Cu{sub 2}O solid microspheres by precisely realizing the opposite charges’ directional attraction. This SDS-mediated method can be readily extended to synthesizing solid microspheres of other metal oxides. Meanwhile, it was found that Cu{sub 2}O solid microspheres with abundant nanopores on the surface showed much higher efficient catalytic activity for decoloring methyl orange (MO) aqueous solution than with other surface features under visible light irradiation. Furthermore, we found that prolonging the holding time made Cu{sub 2}O microspheres transform to polyhedrons.

36 MATERIALS SCIENCE↗
DOE OSTI2019

DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations

We present an accurate, efficient and massively parallel finite-element code, DFT-FE, for large-scale ab-initio calculations (reaching ~100,000 electrons) using Kohn-Sham density functional theory (DFT). DFT-FE is based on a local real-space variational formulation of the Kohn-Sham DFT energy functional that is discretized using a higher-order adaptive spectral finite-element (FE) basis, and treats pseudopotential and all-electron calculations in the same framework, while accommodating non-periodic, semi-periodic and periodic boundary conditions. We discuss the main aspects of the code, which include, the various strategies of adaptive FE basis generation, and the different approaches employed in the numerical implementation of the solution of the discrete Kohn-Sham problem that are focused on significantly reducing the floating point operations, communication costs and latency. We demonstrate the accuracy of DFT-FE by comparing the energies, ionic forces and periodic cell stresses on a wide range of problems with popularly used DFT codes. Further, we demonstrate that DFT-FE significantly outperforms widely used plane-wave codes---both in CPU-times and wall-times, and on both non-periodic and periodic systems---at systems sizes beyond a few thousand electrons, with over 5-10 fold speedups in systems with more than 10,000 electrons. In conclusion, the benchmark studies also highlight the excellent parallel scalability of DFT-FE, with strong scaling demonstrated on up to 192,000 MPI tasks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Superradiance and Directional Exciton Migration in Metal–Organic Frameworks

Crystalline metal–organic frameworks (MOFs) are promising synthetic analogues of photosynthetic light-harvesting complexes (LHCs). The precise assembly of linkers (organic chromophores) around the topology-defined pores offers the evolution of unique photophysical behaviors that are reminiscence of LHCs. These include MOF excited states with photoabsorbed energy that is spatially dispersed over multiple linkers defining the molecular excitons. The multilinker molecular excitons display superradiance–a hallmark of coupled oscillators seen in LHCs–with radiative rate constant (k rad ) exceeding that of a single linker. Our theoretical model and experimental results on three zirconium MOFs, namely, PCN-222(Zn), NU-1000, and SIU-100, with similar topology but varying linkers suggest that the size of such molecular excitons depends on the electronic symmetry of the linker. This multilinker exciton model effectively predicts the energy transfer rate constant; corresponding single-step exciton hopping time, ranging from a few picoseconds in SIU-100 and NU-1000 to a few hundreds of picoseconds in PCN-222(Zn), matches well with the experimental data. The model also predicts the anisotropy of exciton displacement with preferential migration along the crystallographic c-axis. Overall, these findings establish various missing links defining the exciton size and dynamics in MOF-assembled linkers. Furthermore, the understandings will provide design principles, especially, positioning the catalysts or electrode relative to the linker orientation for low-density solar energy conversion systems.

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

Defect Engineering in Large‐Scale CVD‐Grown Hexagonal Boron Nitride: Formation, Spectroscopy, and Spin Relaxation Dynamics

Recently, numerous techniques have been reported for generating optically active defects in exfoliated hexagonal boron nitride (hBN), which hold transformative potential for quantum photonic devices. However, achieving on-demand generation of desirable defect types in scalable hBN films remains a significant challenge. Here, it is demonstrated that formation of negative boron vacancy defects, V B − , in suspended, large-area CVD-grown hBN is strongly dependent on the type of bombarding particles (ions, neutrons, and electrons) and irradiation conditions. In contrast to suspended hBN, defect formation in substrate-supported hBN is more complex due to the uncontrollable generation of secondary particles from the substrate, and the outcome strongly depends on the thickness of the hBN. Different defect types are identified by correlating spectroscopic and optically detected magnetic resonance features, distinguishing boron vacancies (formed by light ions and neutrons and emitting at 800 nm) from other optically active defects emitting at 650 nm assigned to anti-site nitrogen vacancy (N B V N ) and reveal the presence of additional “dark” paramagnetic defects that influence spin-lattice relaxation time (T 1 ) and zero-field splitting parameters, all of which strongly depend on the defect density. These results underscore the potential for precisely engineered defect formation in large-scale CVD-grown hBN, paving the way for the scalable fabrication of quantum photonic devices.

CVD↗
DOE OSTI2022

High-Precision Mapping of Diamond Crystal Strain Using Quantum Interferometry

Crystal-strain variation imposes significant limitations on many quantum sensing and information applications for solid-state defect qubits in diamond. Thus, the precision measurement and control of diamond crystal strain is a key challenge. Here, we report diamond strain measurements with a unique set of capabilities, including micron-scale spatial resolution, a millimeter-scale field of view, and a 2-order-of-magnitude improvement in volume-normalized sensitivity over previous work, reaching 5(2)×10 -8 /√Hzμm -3 (with spin-strain coupling coefficients representing the dominant systematic uncertainty). We use strain-sensitive spin-state interferometry on ensembles of nitrogen-vacancy (N-V) color centers in single-crystal bulk diamond with low strain gradients. This quantum interferometry technique provides insensitivity to magnetic-field inhomogeneity from the electronic and nuclear spin bath, thereby enabling long N-V–ensemble electronic spin dephasing times and enhanced strain sensitivity, as well as broadening the potential applications of the technique beyond isotopically enriched or high-purity diamond. We demonstrate the strain-sensitive measurement protocol first on a confocal scanning laser microscope, providing quantitative measurement of sensitivity as well as three-dimensional strain mapping; and second on a wide-field-imaging quantum diamond microscope. Our strain-microscopy technique enables fast, sensitive characterization for diamond material engineering and nanofabrication; as well as diamond-based sensing of strains applied externally, as in diamond anvil cells or embedded diamond stress sensors, or internally, as by crystal damage due to particle-induced nuclear recoils.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Compact, directional neutron detectors capable of high-resolution nuclear recoil imaging

We report on the design, production, and performance of compact 40-cm3 Time Projection Chambers (TPCs) that detect fast neutrons by measuring the three-dimensional (3D) ionization distribution of nuclear recoils in 4 He:CO 2 gas at atmospheric pressure. We use these detectors to characterize the fast-neutron flux inside the Belle II detector at the SuperKEKB electron–positron collider in Tsukuba, Japan, where the primary design constraint is a small form factor. We find that the TPCs meet or exceed all design specifications, and are capable of measuring the 3D surface shape and charge density profile of ionization clouds from nuclear recoils and charged tracks in exquisite detail. Scaled-up detectors based on the detection principle demonstrated here may be suitable for directional dark matter searches, measurements of coherent neutrino–nucleus scattering, and other experiments requiring precise detection of neutrons or nuclear recoils.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Recent Neutrino Cross-section Results from MicroBooNE

MicroBooNE is a liquid argon time projection chamber that operates in the Booster Neutrino Beam at Fermilab. The detector provides high-resolution imaging of neutrino interactions with a low threshold and full angular coverage. Thanks to a high event rate and several years of continuous operation, the MicroBooNE collaboration has obtained the world’s largest dataset of neutrino-argon scattering events. A detailed understanding of these interactions, especially the impact of nuclear physics effects, will be critical to the success of future precision neutrino oscillation efforts, particularly the argon-based Deep Underground Neutrino Experiment (DUNE) and the Short-Baseline Neutrino (SBN) program. This talk presents an overview of the latest neutrino-argon cross section measurements in MicroBooNE, including measurements of protons produced in muon neutrino interactions, measurements of the electron neutrino inclusive cross section, and progress towards measurements of rare channels.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Digital quantum computation of fermion-boson interacting systems

We introduce a method for representing the low-energy subspace of a bosonic field theory on the qubit space of digital quantum computers. This discretization leads to an exponentially precise description of the subspace of the continuous theory thanks to the Nyquist-Shannon sampling theorem. The method makes the implementation of quantum algorithms for purely bosonic systems as well as fermion-boson interacting systems feasible. We present algorithmic circuits for computing the time evolution of these systems. The complexity of the algorithms scales polynomially with the system size. The algorithm is a natural extension of the existing quantum algorithms for simulating fermion systems in quantum chemistry and condensed-matter physics to systems involving bosons and fermion-boson interactions and has a broad variety of potential applications in particle physics, condensed matter, etc. Due to the relatively small amount of additional resources required by the inclusion of bosons in our algorithm, the simulation of electron-phonon and similar systems can be placed in the same near-future reach as the simulation of interacting electron systems. We benchmark our algorithm by implementing it for a two-site Holstein polaron problem on an Atos Quantum Learning Machine quantum simulator. The polaron quantum simulations are in excellent agreement with the results obtained by exact diagonalization.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Room temperature stress relaxation in nanocrystalline Ni measured by micropillar compression and miniature tension

In this report, we report a micropillar stress relaxation technique employing a stable displacement-controlled, in-situ scanning electron microscope indenter, and unusually large micropillars to precisely measure stress relaxation in electroplated nanocrystalline Ni thin films. The observed stress relaxation is significant under constant displacement: even well below the 0.2% offset yield strength, the stresses relax by ~4% within a minute; in the work hardening regime, stress relaxes by ~9% in 1 min. A logarithmic fit of the relaxation curves is consistent with an Arrhenius thermal activation of plasticity and suggests an activation volume in the vicinity of ~10 b 3 . The apparent and effective activation volumes diverge at lower strains, particularly in the “elastic” regime. These measurements are compared to similar measurements performed on free-standing thin film tensile coupons. Both methods yield similar results, thereby validating the applicability of pillar compression to capture time-dependent plasticity. To our knowledge, these are the first micropillar stress relaxation experiments on metals ever reported.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Laser-Diagnostic Platform for Multi-Parameter Hypersonics Measurements

We have investigated the utility of femtosecond/picosecond (fs/ps) coherent anti-Stokes Raman scattering(CARS)for simultaneous measurement of temperature, pressure, and velocity in hypersonic flows. Experiments were conducted in underexpanded jets of air and molecular nitrogen to assess CARS diagnostic performance in terms of signal level scaling, measurement precision, and dynamic range. Pure-rotational CARS of the Raman S branch was applied for simultaneous measurement of temperature and pressure. Thermometry was performed by fitting CARS spectra acquired under nearly collision-free conditions by introducing a picosecond CARS probe pulse at zero delay from the femtosecond pump. Pressure could be subsequently obtained by from a second CARS spectral acquisition with a picosecond probe introduced at time delay to sample molecular collisions. CARS velocimetry was attempted by monitoring the Doppler shift of the N 2 vibrational, Q-branch spectrum, with both direct spectral resolution and optical heterodyne detection schemes. Doppler shifts from the sub-I-km/s air jet flow proved too small to measure with this approach, prompting us to turn to femtosecond laser electronic excitation tagging (FLEET) for reliable single-laser-shot velocimetry and CARS temperature/pressure measurement. Scaling of the CARS signal level to very low pressure and temperature conditions expected in the Sandia hypersonic wind tunnel (HWI) was performed. CARS measurements of temperature in HWT appear to be very feasible, while prospects for HWT pressure measurements are reasonable.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Directional detection of dark matter using solid-state quantum sensing

Next-generation dark matter (DM) detectors searching for weakly interacting massive particles (WIMPs) will be sensitive to coherent scattering from solar neutrinos, demanding an efficient background-signal discrimination tool. Directional detectors improve sensitivity to WIMP DM despite the irreducible neutrino background. Wide-bandgap semiconductors offer a path to directional detection in a high-density target material. A detector of this type operates in a hybrid mode. Here, the WIMP or neutrino-induced nuclear recoil is detected using real-time charge, phonon, or photon collection. The directional signal, however, is imprinted as a durable sub-micron damage track in the lattice structure. This directional signal can be read out by a variety of atomic physics techniques, from point defect quantum sensing to x-ray microscopy. In this Review, we present the detector principle as well as the status of the experimental techniques required for directional readout of nuclear recoil tracks. Specifically, we focus on diamond as a target material; it is both a leading platform for emerging quantum technologies and a promising component of next-generation semiconductor electronics. Based on the development and demonstration of directional readout in diamond over the next decade, a future WIMP detector will leverage or motivate advances in multiple disciplines toward precision dark matter and neutrino physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

The Sensitivity of Future Gamma-Ray Telescopes to Primordial Black Holes

The strongest existing constraints on primordial black holes with masses in the range of $m_{\rm BH} \sim 10^{15}-10^{17} \, {\rm g}$ have been derived from measurements of the local cosmic-ray electron-positron flux by Voyager 1, and MeV-scale gamma-ray observations of the Inner Galaxy by COMPTEL and INTEGRAL. In this paper, we evaluate the sensitivity of future MeV-scale gamma-ray telescopes such as e-ASTROGAM or AMEGO to Hawking radiation. We show that such an instrument would be able to provide the strongest constraints on black holes in the mass range of $m_{\rm BH} \sim (0.6-20) \times 10^{16} \, {\rm g}$, typically exceeding current constraints by approximately two orders of magnitude. In scenarios in which the observed 511 keV excess is the result of Hawking radiation, we find that e-ASTROGAM or AMEGO would not only be able to detect the Hawking radiation from the Inner Galaxy, but could precisely measure the abundance and mass distribution of the black holes responsible for this signal.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Combination of imaging mass spectrometry and electron microscopy for quasi nondestructive surface analysis

We report on a combination of imaging mass spectrometry (MS) and scanning electron microscopy (SEM) developed in a custom designed time-of-flight (TOF) MS instrument with laser post-ionization of sputtered atoms. Elemental (by MS) and topographical (by SEM) mapping of surfaces of heavily contaminated Si collectors from the NASA Genesis sample return mission enabled obtaining much more accurate and detailed depth distribution of the Solar Wind Mg and Ca implanted in these collectors. This is because the cleanest areas were identified by the SEM/MS mapping, and high resolution sputter depth profiling at these locations revealed near-surface (0-15 nm) depth distribution of Mg and Ca, that were used for more accurate fluence calculations of these Solar Wind species. MS imaging was virtually nondestructive at primary ion fluence 10(12) cm(-2), causing no effect on accuracy and precision of quantitative depth profiling that followed the imaging. We also demonstrate importance of such an approach by directly comparing high resolution depth profiles measured on clean areas versus arbitrarily selected areas.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Electronic transitions and band offsets in C{sub 60}:SubPc and C{sub 60}:MgPc on MoO{sub 3} studied by modulated surface photovoltage spectroscopy

Electronic transitions at interfaces between MoO{sub 3} layers and organic layers of C{sub 60}, SubPc, MgPc, and nano-composite layers of SubPc:C{sub 60} and MgPc:C{sub 60} have been studied by modulated surface photovoltage (SPV) spectroscopy. For all systems, time dependent and modulated SPV signals pointed to dissociation of excitons at the MoO{sub 3}/organic layer interfaces with a separation of holes towards MoO{sub 3}. The highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps (E{sub HL}) of C{sub 60}, SubPc, and MgPc and the effective E{sub HL} of SubPc:C{sub 60} and MgPc:C{sub 60} were measured. The offsets between the LUMO (ΔE{sub L}) or HOMO (ΔE{sub H}) bands were obtained with high precision and amounted to 0.33 or 0.73 eV for SubPc:C{sub 60}, respectively, and to −0.33 or 0.67 eV for MgPc:C{sub 60}, respectively. Exponential tails below E{sub HL} and most pronounced sub-bandgap transitions were characterized and ascribed to disorder and transitions from HOMO bands to unoccupied defect states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗