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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

WE-AB-303-03: A Scheme for Real-Time, Marker-Less and Low-Dose Tumor Tracking Using Scattering Imaging: Monte Carlo Simulation Study

Purpose: In-treatment tumor localization is critical for the management of tumor motion in lung cancer radiotherapy. Conventional tumor-tracking methods using a kV or MV x-ray projection has limited contrast. To facilitate real-time, marker-less and low-dose in-treatment image tumor tracking, we propose a novel scheme using Compton scatter imaging. This study reports Monte Carlo (MC) simulations on this scheme for the purpose of proof-of-principle. Methods: A slit x-ray beam along the patient superior-inferior (SI) direction is directed to the patient, intersecting the patient lung at a 2D plane containing majority part of the tumor motion trajectory. X-ray photons are scattered due to Compton effect from this plane, which are spatially collimated by, e.g., a pinhole, on one side of the plane and then captured by a detector behind it. The captured image, after correcting for x-ray attenuation and scatter angle variation, reflects the electron density, which allows visualization of the instantaneous anatomy on this plane. We performed MC studies on a phantom and a patient case for the initial test of this proposed method. Results: In the phantom case, the contrast-resolution calculated using tumor/lung as foreground/background for kV fluoroscopy, cone-beam CT, and scattering image were 0.0625, 0.6993, and 0.5290, respectively. In the patient case, tumor motion can be clearly observed in the scatter images. Compared to fluoroscopy, scattering imaging also significantly reduced imaging dose because of its narrower beam design. Conclusion: MC simulation studies demonstrated the potential of the proposed scheme in terms of capturing the instantaneous anatomy of a patient on a 2D plane. Clear visualization of the tumor will probably facilitate ‘marker-less’ and ‘real-time’ tumor tracking with low imaging dose. NIH (1R01CA154747-01, 1R21CA178787-01A1 and 1R21EB017978-01A1)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Comparison of Computational Strategies for the Calculation of the Electronic Coupling in Intermolecular Energy and Electron Transport Processes

Electronic couplings in intermolecular electron and energy transfer processes calculated by six different existing computational techniques are compared to nonorthogonal configuration interaction for fragments (NOCI-F) results. The paper addresses the calculation of the electronic coupling in diketopyrrolopyrol, tetracene, 5,5'-difluoroindigo, and benzene–Cl for hole and electron transport, as well as the local exciton and singlet fission coupling. NOCI-F provides a rigorous computational scheme to calculate these couplings, but its computational cost is rather elevated. The here-considered ab initio Frenkel–Davydov (AIFD), Dimer projection (DIPRO), transition dipole moment coupling, Michl–Smith, effective Hamiltonian, and Mulliken–Hush approaches are computationally less demanding, and the comparison with the NOCI-F results shows that the NOCI-F results in the couplings for hole and electron transport are rather accurately predicted by the more approximate schemes but that the NOCI-F exciton transfer and singlet fission couplings are more difficult to reproduce.

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

Quantum Information for Fusion Energy Sciences (Final Technical Report)

The simulation of plasma dynamics is a critical area of Fusion Energy Sciences (FES) due to it’s usefulness in predicting, controlling, and confining plasmas in the context of potential fusion reactors. The simulation of plasmas is a computationally difficult problem in both classical and quantum physics, motivating investigation into the potential of quantum computers to simulate these systems. This project took several concrete steps towards this goal by developing tools for improving the control, characterization, and calibration of quantum gates on a superconducting quantum computer, developing error suppression and mitigation tools to reduce errors on the quantum computer, and utilizing these advancements to simulate reduced models of plasma dynamics on the quantum computer. In order to efficiently simulate plasma physics, an optimal control method which synthesizes, directly at the pulse level, any quantum gate on qubit and qutrit systems was developed. Using four superconducting transmon quantum processors at Rigetti and LLNL, it was demonstrated that any arbitrary quantum gate on qubits and qutrits could be implemented with high fidelity, leading to a significantly reduced length of a gate sequence. A problem of interest in FES is the nonlinear optical process of laser pulse compression within a plasma. Since quantum physics is linear, simulating nonlinear operations is not naturally feasible on a quantum computer, however it is possible to simulated a quantized version of the nonlinear process. A quantization approach to convert nonlinear wave-wave interaction problems to Hamiltonian simulation problems was developed and demonstrated using two qubits on a Rigetti device. In this experiment, a number of error suppression and mitigation techniques were investigated to determine how best to utilize the finite quantum resources. This study provides an example of how plasma problems may be solved on near-term, noisy quantum computing platforms and identified a promising set of techniques. Building on the insights of these experiments, the investigation turned to linear electron-plasma wave physics. A connection was identified between a local one-dimensional lattice spin model and linear wave phenomena, allowing a plasma physics problem to be efficiently mapped to the quantum computer. In this framework, reflection and transmission of plasma waves at a sharp boundary was studied, as well as the propagation of waves through an inhomogeneous plasma medium. In addition to the suite of error suppression and mitigation techniques developed, this experiment introduced the use of a digital-analog gate scheme designed to efficiently simulate the plasma Hamiltonian. With hardware available at the conclusion of the project, simulation at the scale of 9 qubits and 15 timesteps (60 entangling layers) was achieved.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Demonstration of a Rapid HPLC-ICPMS Direct Coupling Technique Using IDMS- Project Report: Part II

Researchers working on chemical separations and inductively coupled plasma mass spectrometry have developed a rapid separation–direct analysis scheme to determine both concentration and isotopics of a suite of elements down to the low picogram level, with the ultimate goal of performing rapid analysis of postdetonation nuclear materials. The second phase in method development has shown that both the sensitivity and stability to achieve the precise, low-level analyses required can be maintained even when present in complex silicon- and uranium-based matrices. The methods analyte list has been expanded to incorporate a number of new analytes, notably the actinides plutonium, americium, curium, neptunium, and thorium and the key fission product zirconium. Key nonnatural fission product isotopic ratios in irradiated highly enriched uranium targets have been successfully measured at the low picogram level. The accuracy of these ratios was confirmed using an isotopic depletion and decay modeling software to within 1–2%.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2016

SU-D-206-04: Iterative CBCT Scatter Shading Correction Without Prior Information

Purpose: To estimate and remove the scatter contamination in the acquired projection of cone-beam CT (CBCT), to suppress the shading artifacts and improve the image quality without prior information. Methods: The uncorrected CBCT images containing shading artifacts are reconstructed by applying the standard FDK algorithm on CBCT raw projections. The uncorrected image is then segmented to generate an initial template image. To estimate scatter signal, the differences are calculated by subtracting the simulated projections of the template image from the raw projections. Since scatter signals are dominantly continuous and low-frequency in the projection domain, they are estimated by low-pass filtering the difference signals and subtracted from the raw CBCT projections to achieve the scatter correction. Finally, the corrected CBCT image is reconstructed from the corrected projection data. Since an accurate template image is not readily segmented from the uncorrected CBCT image, the proposed scheme is iterated until the produced template is not altered. Results: The proposed scheme is evaluated on the Catphan©600 phantom data and CBCT images acquired from a pelvis patient. The result shows that shading artifacts have been effectively suppressed by the proposed method. Using multi-detector CT (MDCT) images as reference, quantitative analysis is operated to measure the quality of corrected images. Compared to images without correction, the method proposed reduces the overall CT number error from over 200 HU to be less than 50 HU and can increase the spatial uniformity. Conclusion: An iterative strategy without relying on the prior information is proposed in this work to remove the shading artifacts due to scatter contamination in the projection domain. The method is evaluated in phantom and patient studies and the result shows that the image quality is remarkably improved. The proposed method is efficient and practical to address the poor image quality issue of CBCT images. This work is supported by the Zhejiang Provincial Natural Science Foundation of China (Grant No. LR16F010001), National High-tech R&D Program for Young Scientists by the Ministry of Science and Technology of China (Grant No. 2015AA020917).

60 APPLIED LIFE SCIENCES↗
NASA NTRS1991

The derivation of cloud parameters from satellite-measured radiances for use in surface radiation calculations

A simple scheme is developed for calculating the cloud amount, optical thickness, and height from satellite-measured radiances and is applied to the International Satellite Cloud Climatology Project B3 radiance data to compute the surface radiative fluxes over the tropical and subtropical western Pacific regions for July 1983, using a radiative transfer model. Results are presented on the sensitivity of surface radiation to the cloud scheme. In addition, the validity of an empirical relationship between the solar fluxes at the surface and at the top of the atmosphere is examined.

Chou, Ming-Dah↗
DOE OSTI2024

Statistics and sensitivity of axion wind detection with the homogeneous precession domain of superfluid helium-3

The homogeneous precession domain (HPD) of superfluid He 3 has recently been identified as a detection medium which might provide sensitivity to the axion-nucleon coupling g a N N competitive with, or surpassing, existing experimental proposals. In this work, we make a detailed study of the statistical and dynamical properties of the HPD system in order to make realistic projections for a full-fledged experimental program. We include the effects of clock error and measurement error in a concrete readout scheme using superconducting qubits and quantum metrology. This work also provides a more general framework to describe the statistics associated with the axion gradient coupling through the treatment of a transient resonance with a nonstationary background in a time-series analysis. Incorporating an optimal data-taking and analysis strategy, we project a sensitivity approaching g a N N ∼ 10 − 12 GeV − 1 across a decade in axion mass. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Anderson acceleration with approximate calculations: Applications to scientific computing

Here we provide rigorous theoretical bounds for Anderson acceleration (AA) that allow for approximate calculations when applied to solve linear problems. We show that, when the approximate calculations satisfy the provided error bounds, the convergence of AA is maintained while the computational time could be reduced. We also provide computable heuristic quantities, guided by the theoretical error bounds, which can be used to automate the tuning of accuracy while performing approximate calculations. For linear problems, the use of heuristics to monitor the error introduced by approximate calculations, combined with the check on monotonicity of the residual, ensures the convergence of the numerical scheme within a prescribed residual tolerance. Motivated by the theoretical studies, we propose a reduced variant of AA, which consists in projecting the least-squares used to compute the Anderson mixing onto a subspace of reduced dimension. The dimensionality of this subspace adapts dynamically at each iteration as prescribed by the computable heuristic quantities. We numerically show and assess the performance of AA with approximate calculations on: (i) linear deterministic fixed-point iterations arising from the Richardson's scheme to solve linear systems with open-source benchmark matrices with various preconditioners and (ii) non-linear deterministic fixed-point iterations arising from non-linear time-dependent Boltzmann equations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Computational and analytical comparison of flux discretizations for the semiconductor device equations beyond Boltzmann statistics

We compare three thermodynamically consistent numerical fluxes known in the literature, appearing in a Voronoï finite volume discretization of the van Roosbroeck system with general charge carrier statistics. Our discussion includes an extension of the Scharfetter–Gummel scheme to non-Boltzmann (e.g. Fermi–Dirac) statistics. It is based on the analytical solution of a two-point boundary value problem obtained by projecting the continuous differential equation onto the interval between neighboring collocation points. Hence, it serves as a reference flux. The exact solution of the boundary value problem can be approximated by computationally cheaper fluxes which modify certain physical quantities. One alternative scheme averages the nonlinear diffusion (caused by the non-Boltzmann nature of the problem), another one modifies the effective density of states. To study the differences between these three schemes, we analyze the Taylor expansions, derive an error estimate, visualize the flux error and show how the schemes perform for a carefully designed p-i-n benchmark simulation. We present strong evidence that the flux discretization based on averaging the nonlinear diffusion has an edge over the scheme based on modifying the effective density of states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Sylvester-preconditioned adaptive-rank implicit time integrators for advection-diffusion equations with variable coefficients

Here, we consider the adaptive-rank integration of multi-dimensional time-dependent advection-diffusion partial differential equations (PDEs) with variable coefficients. We employ a standard finite-difference method for spatial discretization coupled with high-order diagonally implicit Runge-Kutta temporal schemes. The discrete equation is a generalized Sylvester equation (GSE), which we solve with a projection-based adaptive-rank algorithm structured around two key strategies: (i) constructing dimension-wise subspaces using a novel atypical extended Krylov strategy, and (ii) efficiently solving the basis coefficient matrix with a preconditioned GMRES solver. The low-rank decomposition is performed in 2D using SVD and with high-order SVD (HOSVD) in 3D to represent the tensor in a compressed Tucker format. For d-dimensional problems (here, d = 2 or 3), the computational complexity and memory storage of the approach are found numerically to scale as and $\mathscr{O}(Nr^2) + \mathscr{O} (r^{d+1})$ and $\mathscr{O}(Nr) + \mathscr{O} (r^{d})$, respectively, with the one-dimensional resolution and the maximal rank during the Krylov iteration (which we find to be largely independent of on our numerical examples). We present numerical examples that illustrate the advertised properties of the algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

On the use of stereodynamical effects to control cold chemical reactions: The H + D 2 ↔ D + HD case study

Here, quantum calculations are reported for the stereodynamic control of the H + D 2 ↔ D + HD chemical reaction in the energy range of 1–50 K. Stereodynamic control is achieved by a formalism similar to that reported by Perreault et al. [Nat. Chem. 10, 561 (2018)] in recent experimental works in which the alignment of the molecular bond axis relative to the incident relative velocity is controlled by selective preparations of the molecule in a specific or superposition of magnetic projection quantum numbers of the initial molecular rotational level. The approach presented here generalizes the experimental scheme of Perreault et al. and offers additional degree of control through various experimental preparations of the molecular alignment angle. Illustrative results presented for the H + D 2 and D + HD reactions show significant control with the possibility of turning the reaction completely on or off with the appropriate stereodynamic preparation of the molecular state. Various scenarios for maximizing and minimizing the reaction outcomes are identified with the selective preparation of molecular rotational states.

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

Lowering tomography costs in quantum simulation with a symmetry projected operator basis

Measurement in quantum simulations provides a means for extracting meaningful information from a complex quantum state, and for quantum computing, reducing the complexity of measurement will be vital for near-term applications. For most quantum simulations, the targeted state will obey several symmetries inherent to the system Hamiltonian. Here, we obtain an alternative symmetry projected basis of measurement that reduces the number of measurements needed by a constant factor. Our scheme can be implemented at no additional cost on a quantum computer, can be implemented under various measurement or tomography schemes, and is reasonably resilient under noise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1982

Crustal interpretation of the MAGSAT data in the continental United States

The processing of MAGSAT scalar data to construct a crustal magnetic anomaly map over the continental U.S. involves removal of the reference field model, a path-by-path subtraction of a low order polynomial through a least-squares fit to reduce orbital offset errors, and a two dimensional spectral filtering to mitigate the spectral bias induced by the path-by-path orbital correction scheme. The resultant anomaly map shows reasonably good correlations with an aeromagnetic map derived from the project MAGNET. Prominent satellite magnetic anomalies are identified in terms of geological provinces and age boundaries. An inversion method was applied to MAGSAT data which produces both the Curie depth topography and laterally varying magnetic susceptibility of the crust. A contoured Curie depth map thus derived shows general agreements with a crustal thickness map based on seismic data.

Won, I. J.↗
NASA NTRS1986

Architectures and algorithms for digital image processing; Proceedings of the Meeting, Cannes, France, December 5, 6, 1985

The conference presents papers on the architectures, algorithms, and applications of image processing. Particular attention is given to a very large scale integration system for image reconstruction from projections, a prebuffer algorithm for instant display of volume data, and an adaptive image sequence filtering scheme based on motion detection. Papers are also presented on a simple, direct practical method of sensing local motion and analyzing local optical flow, image matching techniques, and an automated biological dosimetry system.

Duff, Michael J. B.↗
NASA NTRS2000

Atlas of Seasonal Means Simulated by the NSIPP 1 Atmospheric GCM

This atlas documents the climate characteristics of version 1 of the NASA Seasonal-to-Interannual Prediction Project (NSIPP) Atmospheric General Circulation Model (AGCM). The AGCM includes an interactive land model (the Mosaic scheme), and is part of the NSIPP coupled atmosphere-land-ocean model. The results presented here are based on a 20-year (December 1979-November 1999) "ANIIP-style" integration of the AGCM in which the monthly-mean sea-surface temperature and sea ice are specified from observations. The climate characteristics of the AGCM are compared with the National Centers for Environmental Prediction (NCEP) and the European Center for Medium-Range Weather Forecasting (ECMWF) reanalyses. Other verification data include Special Sensor Microwave/Imager (SSNM) total precipitable water, the Xie-Arkin estimates of precipitation, and Earth Radiation Budget Experiment (ERBE) measurements of short and long wave radiation. The atlas is organized by season. The basic quantities include seasonal mean global maps and zonal and vertical averages of circulation, variance/covariance statistics, and selected physics quantities.

Suarez, Max J.↗
NASA NTRS2016

Z-2 Space Suit: A Case Study in Human Spaceflight Public Outreach

NASA Johnson Space Center's Z-series of planetary space suit prototypes is an iterative development platform with a Mars-forward design philosophy, targeting a Mars surface mission in the mid-2030s. The first space suit assembly, called the Z-1, was delivered in 2012. While meeting the project's stated requirements and objectives, the general public's reception primarily focused on the color scheme, which vaguely invoked similarity to a certain animated cartoon character. The public at large has and continues to be exposed to varying space suit design aesthetics from popular culture and low TRL technology maturation efforts such as mechanical counter-pressure. The lesson learned was that while the design aesthetic is not important from an engineering perspective, the perception of the public is important for NASA and human spaceflight in general. For the Z-2 space suit, an integrated public outreach strategy was employed to engage, excite and educate the public on the current technology of space suits and NASA's plans moving forward. The keystone of this strategy was a public vote on three different suit cover layer aesthetics, the winner of which would be used as inspiration in fabrication. Other components included social media, university collaboration, and select media appearances, the cumulative result of which, while intangible in its benefit, was ultimately a positive effect in terms of the image of NASA as well as the dissemination of information vital to dispelling public misconceptions.

McFarland, S. M.↗
NASA NTRS2016

Z-2 Space Suit: A Case Study in Human Spaceflight Public Outreach

NASA Johnson Space Center's Z-series of planetary space suit prototypes is an iterative development platform with a Mars-forward design philosophy, targeting a Mars surface mission in the mid-2030s. The first space suit assembly, called the Z-1, was delivered in 2012. While meeting the project's stated requirements and objectives, the general public's reception primarily focused on the color scheme, which vaguely invoked similarity to a certain animated cartoon character. The public at large has and continues to be exposed to varying space suit design aesthetics from popular culture and low TRL technology maturation efforts such as mechanical counterpressure. The lesson learned was that while the design aesthetic is not important from an engineering perspective, the perception of the public is important for NASA and human spaceflight in general. For the Z-2 space suit, an integrated public outreach strategy was employed to engage, excite and educate the public on the current technology of space suits and NASA's plans moving forward. The keystone of this strategy was a public vote on three different suit cover layer aesthetics, the winner of which would be used as inspiration in fabrication. Other components included social media, university collaboration, and select media appearances, the cumulative result of which, while intangible in its benefit, was ultimately a positive effect in terms of the image of NASA as well as the dissemination of information vital to dispelling public misconceptions.

McFarland, Shane M.↗
DOE OSTI2016

Classification of US hydropower dams by their modes of operation

A key challenge to understanding ecohydrologic responses to dam regulation is the absence of a universally transferable classification framework for how dams operate. In the present paper, we develop a classification system to organize the modes of operation (MOPs) for U.S. hydropower dams and powerplants. To determine the full diversity of MOPs, we mined federal documents, open-access data repositories, and internet sources. W then used CART classification trees to predict MOPs based on physical characteristics, regulation, and project generation. Finally, we evaluated how much variation MOPs explained in sub-daily discharge patterns for stream gages downstream of hydropower dams. After reviewing information for 721 dams and 597 power plants, we developed a 2-tier hierarchical classification based on 1) the storage and control of flows to powerplants, and 2) the presence of a diversion around the natural stream bed. This resulted in nine tier-1 MOPs representing a continuum of operations from strictly peaking, to reregulating, to run-of-river, and two tier-2 MOPs, representing diversion and integral dam-powerhouse configurations. Although MOPs differed in physical characteristics and energy production, classification trees had low accuracies (<62%), which suggested accurate evaluations of MOPs may require individual attention. MOPs and dam storage explained 20% of the variation in downstream subdaily flow characteristics and showed consistent alterations in subdaily flow patterns from reference streams. Lastly, this standardized classification scheme is important for future research including estimating reservoir operations for large-scale hydrologic models and evaluating project economics, environmental impacts, and mitigation.

13 HYDRO ENERGY↗