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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

Kokkos Programming Model and Library

High performance computing is in the midst of a many-core revolution driven by rapidly evolving microchips with diverse and heterogeneous architectures, increasing concurrency (thread count), and decreasing memory per thread. Our HPC applications face a major challenge to effectively use these microchips with a single code base that is performance portable across these evolving architectures. Kokkos was developed to enable on-chip concurrency and manage architecture-dependent constraints on memory access patterns. The goal is to maximize the amount of application code that is portable across diverse architectures and still obtain the same (or nearly) performance as a variant of that code written specifically for that architecture. The Kokkos team has ongoing R&D co-design collaborations with Sandia's and vendors' microchip and system engineers to rapidly incorporate evolving computer architecture features into Kokkos. The team is also providing leadership for DOE laboratories' participation on the ISO/C++ language standard committee to subsuming Kokkos features into a future standard.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

WOMBAT: A Scalable and High-performance Astrophysical Magnetohydrodynamics Code

We present a new code for astrophysical magnetohydrodynamics specifically designed and optimized for high performance and scaling on modern and future supercomputers. We describe a novel hybrid OpenMP/MPI programming model that emerged from a collaboration between Cray, Inc. and the University of Minnesota. This design utilizes MPI-RMA optimized for thread scaling, which allows the code to run extremely efficiently at very high thread counts ideal for the latest generation of multi-core and many-core architectures. Such performance characteristics are needed in the era of “exascale” computing. We describe and demonstrate our high-performance design in detail with the intent that it may be used as a model for other, future astrophysical codes intended for applications demanding exceptional performance.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

SU-E-J-65: Evaluation of a Radiation-Induced Cell Proliferation Probability Formula Using Monte Carlo Simulation

Purpose: To evaluate the analytic formula of the cell death probability after single fraction dose. Methods: Cancer cells endlessly divide, but radiation causes the cancer cells to die. Not all cells die right away after irradiation. Instead, they continue dividing for next few cell cycles before they stop dividing and die. At the end of every cell cycle, the cell decides if it undertakes the mitotic process with a certain probability, Pdiv, which is altered by the radiation. Previously, by using a simple analytic model of radiobiology experiments, we obtained a formula of Pdeath (= 1 − Pdiv). A question is if the proposed probability can reproduce the well-known survival data of the LQ model. In this study, we evaluated the formula by doing a Monte Carlo simulation of the cell proliferation process. Starting with Ns seed cells, the cell proliferation process was simulated for N generations or until all cells die. We counted the number of living cells at the end. Assuming that the cell colony survived when more than Nc cells were still alive, the surviving fraction S was estimated. We compared the S vs. dose, or S-D curve, with the LQ model. Results: The results indicated that our formula does not reproduce the experimentally observed S-D curve without selecting appropriate α and α/β. With parameter optimization, there was a fair agreement between the MC result and the LQ curve of dose lower than 20Gy. However, the survival fraction of MC decreased much faster in comparison to the LQ data for doses higher than 20 Gy. Conclusion: This study showed that the previously derived probability of cell death per cell cycle is not sufficiently accurate to replicate common radiobiological experiments. The formula must be modified by considering its cell cycle dependence and some other unknown effects.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Quantum eye: Lattice plasmon effect on quantum fluctuations and photon detection

In this work, arrays of plasmonic nanoparticles coupled to a detector are designed and considered as a quantum eye. In the designed system, the plasmonic nanoparticles have a role like an ommatidium in the artificial compound eye; however, the quantum eye ommatidium acts with different functionality. To better understand this system, we analyze it with the full quantum theory, quantize lattice plasmon generated by the array of plasmonic nanoparticles, and finally derive bosonic operators using Heisenberg–Langevin equations. Moreover, we theoretically derive the radiative and non-radiative losses introduced by this system and examine lattice plasmon effect on spontaneous emission of the quantum dot (Purcell factor). The main goal of this article is to investigate the quantum eye’s quantum properties such as quantum fluctuations, which is modeled and analyzed by studying the second-order correlation function. This function exhibits a significant bunching as a function of lattice plasmon optical properties. We can easily manipulate and improve the lattice plasmon optical properties, which dramatically depend on the array geometry. Finally, we study the quantum eye photon detection by a quantum measuring approach and show that the lattice plasmon has a strong effect on quantum properties after the one-count process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1997

Advanced Low-Noise Research Fan Stage Design

This report describes the design of the Advanced Low-Noise Research Fan stage. The fan is a variable pitch design, which is designed at the cruise pitch condition. Relative to the cruise setting, the blade is closed at takeoff and opened for reverse thrust operation. The fan stage is a split flow design with fan exit guide vanes (FEGVs) and core stators. The fan stage design is combined with a nacelle and engine core duct to form a powered fan/nacelle subscale model. This model is intended for use in combined aerodynamic, acoustic, and structural testing in a wind tunnel. The fan has an outer diameter of 22 in. and a hub-to-tip of 0.426 in., which allows the use of existing NASA fan and cowl force balance and rig drive systems. The design parameters were selected to permit valid acoustic and aerodynamic comparisons with the Pratt & Whitney (P&W) 17- and 22-in. rigs previously tested under NASA contract. The fan stage design is described in detail. The results of the design axisymmetric and Navier-Stokes aerodynamic analysis are presented at the critical design conditions. The structural analysis of the fan rotor and attachment is included. The blade and attachment are predicted to have adequate low-cycle fatigue life and an acceptable operating range without resonant stress or flutter. The stage was acoustically designed with airfoil counts in the FEGV and core stator to minimize noise. A fan/FEGV tone analysis developed separately under NASA contract was used to determine the optimum airfoil counts. The fan stage was matched to the existing nacelle, designed under the previous P&W low-noise contract, to form a fan/nacelle model for wind tunnel testing. It is an axisymmetric nacelle for convenience in testing and analysis. Previous testing confirmed that the nacelle performed as required at various aircraft operating conditions.

Neubert, Robert↗
DOE OSTI2015

Reduced dose measurement of absolute myocardial blood flow using dynamic SPECT imaging in a porcine model

Purpose: Absolute myocardial blood flow (MBF) and myocardial flow reserve (MFR) measurements provide important additional information over traditional relative perfusion imaging. Recent advances in camera technology have made this possible with single-photon emission tomography (SPECT). Low dose protocols are desirable to reduce the patient radiation risk; however, increased noise may reduce the accuracy of MBF measurements. The authors studied the effect of reducing dose on the accuracy of dynamic SPECT MBF measurements. Methods: Nineteen 30–40 kg pigs were injected with 370 + 1110 MBq of Tc-99m sestamibi or tetrofosmin or 37 + 111 MBq of Tl-201 at rest + stress. Microspheres were injected simultaneously to measure MBF. The pigs were imaged in list-mode for 11 min starting at the time of injection using a Discovery NM 530c camera (GE Healthcare). Each list file was modified so that 3/4, 1/2, 1/4, 1/8, 1/16, and 1/32 of the original counts were included in the projections. Modified projections were reconstructed with CT-based attenuation correction and an energy window-based scatter correction and analyzed with FlowQuant kinetic modeling software using a 1-compartment model. A modified Renkin-Crone extraction function was used to convert the tracer uptake rate K1 to MBF values. The SPECT results were compared to those from microspheres. Results: Correlation between SPECT and microsphere MBF values for the full injected activity was r ≥ 0.75 for all 3 tracers and did not significantly degrade over all count levels. The mean MBF and MFR and the standard errors in the estimates were not significantly worse than the full-count data at 1/4-counts (Tc99m-tracers) and 1/2-counts (Tl-201). Conclusions: Dynamic SPECT measurement of MBF and MFR in pigs can be performed with 1/4 (Tc99m-tracers) or 1/2 (Tl-201) of the standard injected activity without significantly reducing accuracy and precision.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Decline and poleward shift in Indian summer monsoon synoptic activity in a warming climate

Cyclonic atmospheric vortices of varying intensity, collectively known as low-pressure systems (LPS), travel northwest across central India and produce more than half of the precipitation received by that fertile region and its ~600 million inhabitants. Yet, future changes in LPS activity are poorly understood, due in part to inadequate representation of these storms in current climate models. Using a high-resolution atmospheric general circulation model that realistically simulates the genesis distribution of LPS, here we show that Indian monsoon LPS activity declines about 45% by the late 21st century in simulations of a business-as-usual emission scenario. The distribution of LPS genesis shifts poleward as it weakens, with oceanic genesis decreasing by ~60% and continental genesis increasing by ~10%; over land the increase in storm counts is accompanied by a shift toward lower storm wind speeds. The weakening and poleward shift of the genesis distribution in a warmer climate are confirmed and attributed, via a statistical model, to the reduction and poleward shift of low-level absolute vorticity over the monsoon region, which in turn are robust features of most coupled model projections. The poleward shift in LPS activity results in an increased frequency of extreme precipitation events over northern India.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Practical reconstruction protocol for quantitative {sup 90}Y bremsstrahlung SPECT/CT

Purpose: To develop a practical background compensation (BC) technique to improve quantitative {sup 90}Y-bremsstrahlung single-photon emission computed tomography (SPECT)/computed tomography (CT) using a commercially available imaging system. Methods: All images were acquired using medium-energy collimation in six energy windows (EWs), ranging from 70 to 410 keV. The EWs were determined based on the signal-to-background ratio in planar images of an acrylic phantom of different thicknesses (2–16 cm) positioned below a {sup 90}Y source and set at different distances (15–35 cm) from a gamma camera. The authors adapted the widely used EW-based scatter-correction technique by modeling the BC as scaled images. The BC EW was determined empirically in SPECT/CT studies using an IEC phantom based on the sphere activity recovery and residual activity in the cold lung insert. The scaling factor was calculated from 20 clinical planar {sup 90}Y images. Reconstruction parameters were optimized in the same SPECT images for improved image quantification and contrast. A count-to-activity calibration factor was calculated from 30 clinical {sup 90}Y images. Results: The authors found that the most appropriate imaging EW range was 90–125 keV. BC was modeled as 0.53× images in the EW of 310–410 keV. The background-compensated clinical images had higher image contrast than uncompensated images. The maximum deviation of their SPECT calibration in clinical studies was lowest (<10%) for SPECT with attenuation correction (AC) and SPECT with AC + BC. Using the proposed SPECT-with-AC + BC reconstruction protocol, the authors found that the recovery coefficient of a 37-mm sphere (in a 10-mm volume of interest) increased from 39% to 90% and that the residual activity in the lung insert decreased from 44% to 14% over that of SPECT images with AC alone. Conclusions: The proposed EW-based BC model was developed for {sup 90}Y bremsstrahlung imaging. SPECT with AC + BC gave improved lesion detectability and activity quantification compared to SPECT with AC only. The proposed methodology can readily be used to tailor {sup 90}Y SPECT/CT acquisition and reconstruction protocols with different SPECT/CT systems for quantification and improved image quality in clinical settings.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2019

A round Earth for climate models

Sunlight drives the Earth’s weather, climate, chemistry, and biosphere. Recent efforts to improve solar heating codes in climate models focused on more accurate treatment of the absorption spectrum or fractional clouds. A mostly forgotten assumption in climate models is that of a flat Earth atmosphere. Spherical atmospheres intercept 2.5 W·m −2 more sunlight and heat the climate by an additional 1.5 W⋅m −2 globally. Such a systematic shift, being comparable to the radiative forcing change from preindustrial to present, is likely to produce a discernible climate shift that would alter a model’s skill in simulating current climate. Regional heating errors, particularly at high latitudes, are several times larger. Unlike flat atmospheres, constituents in a spherical atmosphere, such as clouds and aerosols, alter the total amount of energy received by the Earth. To calculate the net cooling of aerosols in a spherical framework, one must count the increases in both incident and reflected sunlight, thus reducing the aerosol effect by 10 to 14% relative to using just the increase in reflected. Simple fixes to the current flat Earth climate models can correct much of this oversight, although some inconsistencies will remain.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Exact moments of the Sachdev-Ye-Kitaev model up to order 1/ N 2

We analytically evaluate the moments of the spectral density of the q-body Sachdev-Ye-Kitaev (SYK) model, and obtain order 1/ N 2 corrections for all moments, where N is the total number of Majorana fermions. To order 1/ N , moments are given by those of the weight function of the Q-Hermite polynomials. Representing Wick contractions by rooted chord diagrams, we show that the 1/ N 2 correction for each chord diagram is proportional to the number of triangular loops of the corresponding intersection graph, with an extra grading factor when q is odd. Therefore the problem of finding 1/ N 2 corrections is mapped to a triangle counting problem. Since the total number of triangles is a purely graph-theoretic property, we can compute them for the q = 1 and q = 2 SYK models, where the exact moments can be obtained analytically using other methods, and therefore we have solved the moment problem for any q to 1/ N 2 accuracy. The moments are then used to obtain the spectral density of the SYK model to order 1/ N 2 . We also obtain an exact analytical result for all contraction diagrams contributing to the moments, which can be evaluated up to eighth order. This shows that the Q-Hermite approximation is accurate even for small values of N .

1/N Expansion↗
NASA NTRS2004

Central Stars of Planetary Nebulae in the LMC

In FUSE cycle 2's program B001 we studied Central Stars of Planetary Nebulae (CSPN) in the Large Magellanic Could. All FUSE observations have been successfully completed and have been reduced, analyzed and published. The analysis and the results are summarized below. The FUSE data were reduced using the latest available version of the FUSE calibration pipeline (CALFUSE v2.2.2). The flux of these LMC post-AGB objects is at the threshold of FUSE's sensitivity, and thus special care in the background subtraction was needed during the reduction. Because of their faintness, the targets required many orbit-long exposures, each of which typically had low (target) count-rates. Each calibrated extracted sequence was checked for unacceptable count-rate variations (a sign of detector drift), misplaced extraction windows, and other anomalies. All the good calibrated exposures were combined using FUSE pipeline routines. The default FUSE pipeline attempts to model the background measured off-target and subtracts it from the target spectrum. We found that, for these faint objects, the background appeared to be over-estimated by this method, particularly at shorter wavelengths (i.e., < 1000 A). We therefore tried two other reductions. In the first method, subtraction of the measured background is turned off and and the background is taken to be the model scattered-light scaled by the exposure time. In the second one, the first few steps of the pipeline were run on the individual exposures (correcting for effects unique to each exposure such as Doppler shift, grating motions, etc). Then the photon lists from the individual exposures were combined, and the remaining steps of the pipeline run on the combined file. Thus, more total counts for both the target and background allowed for a better extraction.

Bianchi, Luciana↗
DOE OSTI2021

Understanding Superatomic Ag Nanohydrides

Abstract Bulk Ag hydrides are extremely challenging to make even at very high pressures, but they may become stable as the particle size shrinks to the nanometer regime. Here, the formation and electronic structure of Ag nanohydrides are investigated from a superatomic perspective by density functional theory. It is found that as the coverage increases, adsorption energy of hydrogen atoms on Ag 38 cluster to form Ag 38 H 2 n nanohydride ( n is from 1 to 15) can be energetically favorable with respect to bare Ag 38 and H 2 . Furthermore, the adsorbed hydrogen atoms contribute their 1s electrons to the superatom electron count and behave as a metal instead of a ligand. The electronic structure of the silver nanohydrides follows the superatomic complex model, leading to magic or relatively more stable compositions such as Ag 38 H 2 , Ag 38 H 20 , and Ag 38 H 30 , which correspond to 40‐electron, 58‐electron, and 68‐electron shell closings, respectively. Angular momentum analyses of the superatomic orbitals suggest a convoluted interaction of geometry, symmetry, and orbital splitting.

He, Xiang↗
DOE OSTI2017

Heterotic sigma models on T 8 and the Borcherds automorphic form Φ 12

Here, we consider the spectrum of BPS states of the heterotic sigma model with (0, 8) supersymmetry and T 8 target, as well as its second-quantized counterpart. We show that the counting function for such states is intimately related to Borcherds’ automorphic form Φ 12 , a modular form which exhibits automorphy for O(2, 26; Ζ). Here, we comment on possible implications for Umbral moonshine and theories of AdS 3 gravity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Characterization of HPGe gamma spectrometric detectors systems for Instrumental Neutron Activation Analysis (INAA) at the Colombian Geological Survey

This paper presents the progress made by the Neutron Activation Analysis (NAA) laboratory at the Colombian Geological Survey (SGC in its Spanish acronym), towards the characterization of its gamma spectrometric systems for Instrumental Neutron Activation Analysis (INAA), with the aim of introducing corrections to the measurements by variations in sample geometry. Characterization includes the empirical determination of the interaction point of gamma radiation inside the Germanium crystal, through the application of a linear model and the use of a fast Monte Carlo N-Particle (MCNP) software to estimate correction factors for differences in counting efficiency that arise from variations in sample density between samples and standards.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Observed galaxy number counts on the lightcone up to second order: I. Main result

We present the galaxy number overdensity up to second order in redshift space on cosmological scales for a concordance model. The result contains all general relativistic effects up to second order that arise from observing on the past light cone, including all redshift effects, lensing distortions from convergence and shear, and contributions from velocities, Sachs-Wolfe, integrated SW and time-delay terms. This result will be important for accurate calculation of the bias on estimates of non-Gaussianity and on precision parameter estimates, introduced by nonlinear projection effects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Efficient state preparation for the Schwinger model with a theta term

We present a comparison of different quantum state preparation algorithms and their overall efficiency for the Schwinger model with a theta term. While adiabatic state preparation is proved to be effective, in practice it leads to large gate counts to prepare the ground state. The quantum approximate optimization algorithm (QAOA) provides excellent results while keeping the counts small by design, at the cost of an expensive classical minimization process. We introduce a “blocked” modification of the Schwinger Hamiltonian to be used in the QAOA that further decreases the length of the algorithms as the size of the problem is increased. The rodeo algorithm (RA) provides a powerful tool to efficiently prepare any eigenstate of the Hamiltonian, as long as its overlap with the initial guess is large enough. We obtain the best results when combining the blocked QAOA ansatz and the RA, as this provides an excellent initial state with a relatively short algorithm without the need to perform any classical steps for large problem sizes. Published by the American Physical Society 2025

Bazavov, Alexei (ORCID:0000000321411901)↗
DOE OSTI2016

Guiding synchrotron X-ray diffraction by multimodal video-rate protein crystal imaging

Synchronous digitization, in which an optical sensor is probed synchronously with the firing of an ultrafast laser, was integrated into an optical imaging station for macromolecular crystal positioning prior to synchrotron X-ray diffraction. Using the synchronous digitization instrument, second-harmonic generation, two-photon-excited fluorescence and bright field by laser transmittance were all acquired simultaneously with perfect image registry at up to video-rate (15 frames s –1 ). A simple change in the incident wavelength enabled simultaneous imaging by two-photon-excited ultraviolet fluorescence, one-photon-excited visible fluorescence and laser transmittance. Development of an analytical model for the signal-to-noise enhancement afforded by synchronous digitization suggests a 15.6-fold improvement over previous photon-counting techniques. This improvement in turn allowed acquisition on nearly an order of magnitude more pixels than the preceding generation of instrumentation and reductions of well over an order of magnitude in image acquisition times. These improvements have allowed detection of protein crystals on the order of 1 µm in thickness under cryogenic conditions in the beamline. Lastly, these capabilities are well suited to support serial crystallography of crystals approaching 1 µm or less in dimension.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗