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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Accelerated Lifetime Test of the SRF Dressed Cavity/Tuner System for LCLS II HE Project

The off-frequency detune method is being considered for application in the LCLS-II-HE superconducting linac to produce multi-energy electron beams for supporting multiple undulator lines simultaneously [1]. Design of the tuner has been changed to deliver roughly 3 times larger frequency tuning range. Working requirements for off-frequency operation (OFO) state that cavities be tuned at least twice a month. This specification requires the in-crease of the tuner longevity by 20 times compared with LCLS-II demands. Accelerated longevity tests of the LCLS-II HE dressed cavity with tuner were conducted at FNAL's HTS. Detail analysis of wearing and impacts on performances of the tuner's piezo and stepper motor actuators will be presented. Additionally, results of longevity testing of the dressed cavity bellow, when cooled down to 2 K and compressed by 2.6 mm for roughly 2000 cycles, will be presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Predicting and understanding the chemical bond is one of the major challenges of computational quantum chemistry. Kohn–Sham density functional theory (KS-DFT) is the most common method, but approximate density functionals may not be able to describe systems where multiple electronic configurations are equally important. Multiconfigurational wave functions, on the other hand, can provide a detailed understanding of the electronic structures and chemical bonds of such systems. In the complete active space self-consistent field (CASSCF) method, one performs a full configuration interaction calculation in an active space consisting of active electrons and active orbitals. However, CASSCF and its variants require the selection of these active spaces. This choice is not black box; it requires significant experience and testing by the user, and thus active space methods are not considered particularly user-friendly and are employed only by a minority of quantum chemists. Our goal is to popularize these methods by making it easier to make good active space choices. Here, we present a machine learning protocol that performs an automated selection of active spaces for chemical bond dissociation calculations of main group diatomic molecules. The protocol shows high prediction performance for a given target system as long as a properly correlated system is chosen for training. Good active spaces are correctly predicted with a considerably better success rate than random guess (larger than 80% precision for most systems studied). Our automated machine learning protocol shows that a “black-box” mode is possible for facilitating and accelerating the large-scale calculations on multireference systems where single-reference methods such as KS-DFT cannot be applied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

X-ray and gamma-ray emission of Sagittarius A* as a wind-accreting black hole

If, as many believe, Sgr A* is a massive black hole at the Galactic center, one should expect it to be a source of X-ray and gamma-ray activity, behaving basically as a scaled-down active galactic nucleus. An unavoidable source of accretion is the wind from IRS 16, a nearby group of hot, massive stars. Since the density and velocity of the accreting matter are known from observations, the accretion rate is basically a function of the putative black hole mass, M(sub h), only; this value represents a reliable lower limit to a real rate, given the other possible sources of accreting matter. Based on this and on the theories about shock acceleration in active galactic nuclei, we have estimated the expected production of relativistic particles and their hard radiation. These values turn out to be a function of M(sub h) as well. Comparing our results with available X-ray and gamma-ray observations which show Sgr A* to have a relatively low activity level, we conclude tentatively that the putative black hole in the Galactic center cannot have a mass greater than approximately 6 x 10(exp 3) solar mass. This conclusion is consistent with the upper limits to the black hole mass found by different methods earlier, although much more work is needed to make calculations of shock acceleration around black holes more reliable.

Mastichiadis, A.↗
DOE OSTI2024

Flexible silicon photonic architecture for accelerating distributed deep learning

The increasing size and complexity of deep learning (DL) models have led to the wide adoption of distributed training methods in datacenters (DCs) and high-performance computing (HPC) systems. However, communication among distributed computing units (CUs) has emerged as a major bottleneck in the training process. In this study, we propose Flex-SiPAC, a flexible silicon photonic accelerated compute cluster designed to accelerate multi-tenant distributed DL training workloads. Flex-SiPAC takes a co-design approach that combines a silicon photonic hardware platform with a tailored collective algorithm, optimized to leverage the unique physical properties of the architecture. The hardware platform integrates a novel wavelength-reconfigurable transceiver design and a micro-resonator-based wavelength-reconfigurable switch, enabling the system to achieve flexible bandwidth steering in the wavelength domain. The collective algorithm is designed to support reconfigurable topologies, enabling efficient all-reduce communications that are commonly used in DL training. The feasibility of the Flex-SiPAC architecture is demonstrated through two testbed experiments. First, an optical testbed experiment demonstrates the flexible routing of wavelengths by shuffling an array of input wavelengths using a custom-designed spatial-wavelength selective switch. Second, a four-GPU testbed running two DL workloads shows a 23% improvement in job completion time compared to a similarly sized leaf-spine topology. We further evaluate Flex-SiPAC using large-scale simulations, which show that Flex-SiPAC is able to reduce the communication time by 26% to 29% compared to state-of-the-art compute clusters under representative collective operations.

Wu, Zhenguo (ORCID:0000000322847985)↗
NASA NTRS1979

Fundamental mechanisms that influence the estimate of heat transfer to gas turbine blades

Heat tranfer problems in aircraft gas turbines required for improved prediction of turbine blade or vane gas-side heat transfer are examined. Estimates of the heat transfer from the gas to vanes or rotating blades are uncertain due to the complexity of the heat transfer processes, since the gas flow is three dimensional with complex secondary viscous flow patterns that interact with the endwalls and blade surfaces. In addition, upstream disturbances, stagnation flow, curvature effects, and flow acceleration complicate the thermal transport mechanisms in the boundary layers. The thermal state and flow characteristics of the hot gases that enter the turbine blade row, analytical methods for calculating the gas-side heat transfer to turbine blades, and flow phenomena such as stagnation, curvature effects, acceleration, secondary flows, and transition that influences local heat transfer rates are discussed.

Graham, R. W.↗
NASA NTRS1989

A laser based computer aided non-intrusive technique for full field flow characterization in macroscopic curved channels

This paper presents the application of a laser based, computer aided image processing technique for the nonintrusive evaluation of field velocities and accelerations in a 180 deg curved channel geometry, characteristic of inlet passages of the cowls of airbreathing aircraft engines. The method based on the illumination of the test section with a laser generated planar sheet of light, allows microscopic or macroscopic surveillance of fluid flow across or along large cross sections for relatively long (greater than 1 sec) periods of time. The method is Lagrangian in concept and permits identification and tracking of the same particle, thus facilitating construction of more comprehensive trajectories and the calculation of velocities and accelerations.

Braun, M. J.↗
NASA NTRS1985

Multigrid techniques for the solution of the passive scalar advection-diffusion equation

The solution of elliptic passive scalar advection-diffusion equations is required in the analysis of many turbulent flow and convective heat transfer problems. The accuracy of the solution may be affected by the presence of regions containing large gradients of the dependent variables. The multigrid concept of local grid refinement is a method for improving the accuracy of the calculations in these problems. In combination with the multilevel acceleration techniques, an accurate and efficient computational procedure is developed. In addition, a robust implementation of the QUICK finite-difference scheme is described. Calculations of a test problem are presented to quantitatively demonstrate the advantages of the multilevel-multigrid method.

Phillips, R. E.↗
NASA NTRSDate not supplied

In-Space Inspection Needs: Opportunities for advanced NDE tools such as x-ray CT for additively manufactured parts, in-situ resource utilization, geological applications, and more

It is now 50 years since the first human presence on the surface of the Moon and as we strive to return with women and men in the next few years, we embrace new technical challenges, goals, and innovative solutions to address 21st century objectives. These new ambitions carry fresh challenges and risks, with the field of NDE playing an increasingly more relevant role towards meeting these essential goals. In recent years, more advanced NDE tools have triggered a rapid expansion of applications for the space industry. In particular, x-ray Computed Tomography (CT) has proven to be a trusted and powerful asset for spaceflight hardware inspection, as well as applied geotechnical analysis for natural materials (e.g., rocks, soils) for NASA and across industry. However, such methods have yet to be extended to “deep space” applications such as those that are now part of the US National Space Policy Directive (SPD-1) and the accelerated push to return humans to the Moon (i.e., Artemis). For this reason, advancing these powerful Earth-based laboratory methods via new technologies, integrated computational solutions, and creative engineering approaches is directly aligned with national space policies, as well as with multiple NASA Strategic Plan priorities. The use of x-ray CT at scales as fine as a few microns or smaller can identify spacecraft part failure modes relevant to quality assurance for flight hardware and AM parts such as those recently developed for ISS. This technology could also identify valuable metallic phases within geological materials (i.e., rocks or drill cores), enabling resource-relevant triage of samples for In-Situ Resource Utilization (ISRU) and high science value sample return to Earth laboratories. There is also significant application for 3D imaging tools for medical use such as inspecting protective gear as well as bone density degradation studies which are critical in establishing a sustained presence in space. Timing for development of these tools for space use is advantageous as we prepare for new opportunities in the next few years and recognize recent commercial technology advancements which make it feasible. Moreover, as NASA strives to take full advantage of developments in AM technologies, including In-Space Manufacturing (ISM), it is widely recognized that NDE tools such as CT will play an essential role in acceptance of these parts for widespread use. New in-space 3D inspection tools with complimentary technology such as AI-based automated feature recognition (accelerated by machine learning), rapid compositional analysis, and advanced sample manipulation, would be a game-changing step toward a new class of crew-based laboratory sensors once human outposts on the Moon are established.

In-Space Non-Destructive Evaluation↗
DOE OSTI2024

Proton Acceleration in Low- β Magnetic Reconnection with Energetic Particle Feedback

Magnetic reconnection regions in space and astrophysics are known as active particle acceleration sites. There is ample evidence showing that energetic particles can take a substantial amount of converted energy during magnetic reconnection. However, there has been a lack of studies understanding the backreaction of energetic particles at magnetohydrodynamical scales in magnetic reconnection. To address this, we have developed a new computational method to explore the feedback by nonthermal energetic particles. This approach considers the backreaction from these energetic particles by incorporating their pressure into magnetohydrodynamics (MHD) equations. The pressure of the energetic particles is evaluated from their distribution evolved through Parker's transport equation, solved using stochastic differential equations (SDEs), so we coin the name MHD-SDE. Applying this method to low-β magnetic reconnection simulations, we find that reconnection is capable of accelerating a large fraction of energetic particles that contain a substantial amount of energy. When the feedback from these particles is included, their pressure suppresses the compression structures generated by magnetic reconnection, thereby mediating particle energization. Consequently, the feedback from energetic particles results in a steeper power-law energy spectrum. These findings suggest that feedback from nonthermal energetic particles plays a crucial role in magnetic reconnection and particle acceleration.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2023

The Impact of New Accelerometer Transplant Data (ACH) on GRACE Follow-On Along-Orbit Inter-Satellite Laser Ranging Observations and Monthly Time-Variable Gravity and Mascon Solutions

GRACE-D accelerometer data show significant bias jumps since one month after the launch of the GRACE Follow-On (GRACE-FO) satellites in May 2018, making them inapplicable for correcting GRACE-FO products for non-gravitational accelerations. The GRACE-FO Science Data System (SDS) compensated this issue by transplanting the GRACE-C accelerometer data toward that of GRACE-D. Recently, GRACE-FO SDS implemented an updated transplant method, used in the latest release of GRACE-FO data. Here, we examine the impact of updated accelerometer transplant data (ACH) on GRACE-FO measurements at all levels: (a) Level-1B inter-satellite laser ranging residuals measured along satellite orbit, (b) Level-2 time-variable gravity solutions from all SDS centers (JPL, CSR, and GFZ), and (c) Level-3 mascon solutions. We show that inter-satellite laser ranging residuals are modified at low frequencies below 1 mHz, affecting the along-orbit analysis of large-scale time-variable gravity signals. When mapped into monthly Level-2 spherical harmonic coefficients of geopotential, the low-frequency change in inter-satellite ranging residuals leads to substantial improvement of coefficients associated with resonant orders (i.e., 15, 30, 45, etc.) and C 30 . We also present an improved SLR-derived C 30 which significantly improves the agreement with updated GRACE-FO C 30 at seasonal and interannual timescales. Moreover, we demonstrate the noise reduction in mass change estimates from new GRACE-FO Level-2 data over oceans, Greenland, and Antarctica for all SDS solutions. GRACE-FO mascon solutions show a moderate change in the updated release. Our comprehensive analyses demonstrate high-quality estimates of non-gravitational accelerations by the updated transplant method, resulting in more accurate GRACE-FO time-variable gravity and mass change observations.

Laser ranging interferometer↗
DOE OSTI2022

An overview of how parity-violating electron scattering experiments are performed at CEBAF

Parity-violating electron-scattering experiments represent an important focus of the nuclear physics experimental program at the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab. These experiments pose significant challenges because the scattering asymmetries can be very small, of the order parts-per-million and smaller. To succeed, the properties of the electron beam such as current, position, size and energy, must be very nearly identical in the two electron-polarization spin states (parallel and anti-parallel relative to the direction of beam motion at the scattering target). This paper describes the origins of unwanted helicity-correlated beam asymmetries present on the electron beam and methods to minimize them to acceptable levels.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Measurement and Monte Carlo simulation of 3D neutrons distribution in a radiotherapy bunker - 25411

Different methods exist to verify bunkers design for radiation therapy medical facilities; analytical methods based on simplified equations and Monte Carlo methods. One of the main purposes of this work is to present the advantages of using Monte Carlo simulation to verify radiotherapy bunker shielding design. This methodology is more accurate and characterizes not only the fluence and dose three-dimensionally, but also the energy spectrum of particles generated by the Linac. The other main purpose of the work is to analyze the importance of the generated photoneutrons when the Linac emits photon beams of high energy (above 8 MeV), since numerous studies have found that they can expose the patient and clinical staff to non-negligible dose. The main novelty introduced by this work, is the creation of more realistic simulation models to represent the radiotherapy facility by using CAD and meshes technologies. Results obtained using these bunker simulation models have been validated experimentally at the Hospital Universitari i Politecnic La Fe de Valencia facilities using two different neutron detectors; the neutron meter LB 6411 (designed between Berthold and Karlsruhe Research Center) and neutron detector model 42 - 41L (Ludlum, Prescila). Results obtained with Monte Carlo and those measured experimentally fit correctly, validating this analysis methodology. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2025

Deep Learning with Reflection High-Energy Electron Diffraction Images to Predict Cation Ratio in Sr 2 x Ti 2(1– x ) O 3 Thin Films

Machine learning (ML) with in-situ diagnostics offers a transformative approach to accelerate, understand, and control thin film synthesis by uncovering relationships between synthesis conditions and material properties. In this study, we demonstrate the application of deep learning to predict the stoichiometry of Sr 2x Ti 2(1–x) O 3 thin films using reflection high-energy electron diffraction images acquired during pulsed laser deposition. A gated convolutional neural network trained for regression of the Sr atomic fraction achieved accurate predictions with a small dataset of 31 samples. Explainable AI techniques revealed a previously unknown correlation between diffraction streak features and cation stoichiometry in Sr 2x Ti 2(1–x) O 3 thin films. Here, our results demonstrate how ML can be used to transform a ubiquitous in-situ diagnostic tool, that is usually limited to qualitative assessments, into a quantitative surrogate measurement of continuously valued thin film properties. Such methods are critically needed to enable real-time control, autonomous workflows, and accelerate traditional synthesis approaches.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1993

Reach performance while wearing the Space Shuttle launch and entry suit during exposure to launch accelerations

Crewmen aboard the Space Shuttle are subjected to accelerations during ascent (the powered flight phase of launch) which range up to +3 G(sub x). Despite having 33 missions and nine years experience, not to mention all the time spent in development prior to the first flight, no truly quantitative reach study wearing actual crew equipment, using actual Shuttle seats and restraints has ever been done. What little information exists on reach performance while under acceleration has been derived primarily from subjective comments gathered retrospectively from Shuttle flight crews during their post mission debrief. This lack of reach performance data has resulted in uncertainty regarding emergency procedures that can realistically be performed during and actual Shuttle ascent versus what is practiced in the ground-fixed and motion-based Shuttle Simulators. With the introduction on STS-26 of the current Shuttle escape system, the question of reach performance under launch accelerations was once again raised. The escape system's requirement that each crewman wear a Launch/Entry Suit (LES), parachute harness, and parachute were all anticipated to contribute to a further degradation of reach performance during Shuttle ascent accelerations. In order to answer the reach performance question in a quantitative way, a photogrammetric method was chosen so that the actual reach values and associated envelopes could be captured. This would allow quantitative assessment of potential task performance impact and identify areas where changes to our Shuttle ascent emergency procedures might be required. Also, such a set of reach values would be valid for any similar acceleration profile using the same crew equipment. Potential Space Station applications of this data include predicting reach performance during Assured Crew Return Vehicle (ACRV) operations.

Bagian, James P.↗
DOE OSTI2021

Computationally Accelerated Discovery and Experimental Demonstration of Gd0.5La0.5Co0.5Fe0.5O3 for Solar Thermochemical Hydrogen Production

Solar thermochemical hydrogen (STCH) production is a promising method to generate carbon neutral fuels by splitting water utilizing metal oxide materials and concentrated solar energy. The discovery of materials with enhanced water-splitting performance is critical for STCH to play a major role in the emerging renewable energy portfolio. While perovskite materials have been the focus of many recent efforts, materials screening can be time consuming due to the myriad chemical compositions possible. This can be greatly accelerated through computationally screening materials parameters including oxygen vacancy formation energy, phase stability, and electron effective mass. In this work, the perovskite Gd 0.5 La 0.5 Co 0.5 Fe 0.5 O 3 (GLCF), was computationally determined to be a potential water splitter, and its activity was experimentally demonstrated. During water splitting tests with a thermal reduction temperature of 1,350°C, hydrogen yields of 101 μmol/g and 141 μmol/g were obtained at re-oxidation temperatures of 850 and 1,000°C, respectively, with increasing production observed during subsequent cycles. This is a significant improvement from similar compounds studied before (La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3 and LaFe 0.75 Co 0.25 O 3 ) that suffer from performance degradation with subsequent cycles. Confirmed with high temperature x-ray diffraction (HT-XRD) patterns under inert and oxidizing atmosphere, the GLCF mainly maintained its phase while some decomposition to Gd 2-x La x O 3 was observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Numerical study of shock-wave/boundary layer interactions in premixed hydrogen-air hypersonic flows

A computational study of shock wave/boundary layer interactions involving premixed combustible gases, and the resulting combustion processes is presented. The analysis is carried out using a new fully implicit, total variation diminishing (TVD) code developed for solving the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. To accelerate the convergence of the basic iterative procedure, this code is combined with vector extrapolation methods. The chemical nonequilibrium processes are simulated by means of a finite-rate chemistry model for hydrogen-air combustion. Several validation test cases are presented and the results compared with experimental data or with other computational results. The code is then applied to study shock wave/boundary layer interactions in a ram accelerator configuration. Results indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outwards and downstream. At higher Mach numbers, spontaneous ignition in part of the boundary layer is observed, which eventually extends along the entire boundary layer at still higher values of the Mach number.

Yungster, Shaye↗
NASA NTRS1991

Numerical study of shock-wave/boundary layer interactions in premixed hydrogen-air hypersonic flows

A computational study of shock wave/boundary layer interactions involving premixed combustible gases, and the resulting combustion processes is presented. The analysis is carried out using a new fully implicit, total variation diminishing (TVD) code developed for solving the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. To accelerate the convergence of the basic iterative procedure, this code is combined with vector extrapolation methods. The chemical nonequilibrium processes are simulated by means of a finite-rate chemistry model for hydrogen-air combustion. Several validation test cases are presented and the results compared with experimental data or with other computational results. The code is then applied to study shock wave/boundary layer interactions in a ram accelerator configuration. Results indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outwards and downstream. At higher Mach numbers, spontaneous ignition in part of the boundary layer is observed, which eventually extends along the entire boundary layer at still higher values of the Mach number.

Yungster, Shaye↗
DOE OSTI2018

A massively parallel and memory-efficient FEM toolbox with a hybrid total FETI solver with accelerator support

In this article, we present the ExaScale PaRallel finite element tearing and interconnecting SOlver (ESPRESO) finite element method (FEM) library, which includes an FEM toolbox with interfaces to professional and open-source simulation tools, and a massively parallel hybrid total finite element tearing and interconnecting (HTFETI) solver which can fully utilize the Oak Ridge Leadership Computing Facility Titan supercomputer and achieve superlinear scaling. This article presents several new techniques for finite element tearing and interconnecting (FETI) solvers designed for efficient utilization of supercomputers with a focus on (i) performance—we present a fivefold reduction of solver runtime for the Laplace equation by redesigning the FETI solver and offloading the key workload to the accelerator. We compare Intel Xeon Phi 7120p and Tesla K80 and P100 accelerators to Intel Xeon E5-2680v3 and Xeon Phi 7210 central processing units; and (ii) memory efficiency—we present two techniques which increase the efficiency of the HTFETI solver 1.8 times and push the limits of the largest possible problem ESPRESO that can solve from 124 to 223 billion unknowns for problems with unstructured meshes. Finally, we show that by dynamically tuning hardware parameters, we can reduce energy consumption by up to 33%.

Computer Science↗