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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Ensuring statistical reproducibility of ocean model simulations in the age of hybrid computing

Novel high performance computing systems that feature hybrid architectures require large scale code refactoring to unravel underlying exploitable parallelism. Such redesign can often be accompanied with machine-precision changes as the order of computation cannot always be maintained. For chaotic systems like climate models, these round-off level differences can grow rapidly. Systematic errors may also manifest initially as machine-precision differences. Isolating genuine round off level differences from such errors remains a challenge. Here, we apply two-sample equality of distribution tests to evaluate statistical reproducibility of the ocean model component of US Department of Energy's Energy Exascale Earth System Model (E3SM). A 2-year control simulation ensemble is compared to a modified ensemble as a test case - after a known non-bit-for-bit change in a model component is introduced - to evaluate the null hypothesis that the two ensembles are statistically indistinguishable. To quantify the false negative rates of these tests, we conduct a formal power analysis using a targeted suite of short simulation ensembles. The ensemble suite contains several perturbed ensembles, each with a progressively different climate than the baseline ensemble - obtained by perturbing the magnitude of a single model tuning parameter, the Gent and McWilliams κ, in a controlled manner. The null hypothesis is evaluated for each of perturbed ensembles using these tests. The power analysis informs on the detection limits of the tests for given ensemble size allowing model developers to evaluate the impact of an introduced non-bit-for-bit change to the model.

Mahajan, Salil↗
DOE OSTI2021

Comparison of Spectroscopic Techniques for Determining the Peroxide Value of 19 Classes of Naturally Aged, Plant-Based Edible Oils

The peroxide value of edible oils is a measure of the degree of oxidation, which directly relates to the freshness of the oil sample. Several studies previously reported in the literature have paired various spectroscopic techniques with multivariate analyses to rapidly determine peroxide values using field portable and process instrumentation; those efforts presented “best-case scenarios” with oils from narrowly defined training and test sets. The purpose of this paper is to evaluate the use of near- and mid-infrared absorption and Raman scattering spectroscopies on oil samples from different oil classes, including seasonal and vendor variations, to determine which measurement technique or combination thereof is best for predicting peroxide values. Following peroxide value assays of each oil class using an established titration-based method, global and global-subset calibration models were constructed from spectroscopic data collected on the 19 oil classes used in this study. Spectra from each optical technique were used to create partial least squares regression calibration models to predict the peroxide value of unknown oil samples. A global peroxide value model based on near-infrared (8 mm optical path length) oil measurements produced the lowest RMSEP (4.9), followed by 24 mm optical path length near infrared (5.1), Raman (6.9) and 50 µm optical path length mid-infrared (7.3). However, it was determined that the Raman RMSEP resulted from chance correlations. Global peroxide value models based on low-level fusion of the NIR (8 and 24 mm optical path length) data and all infrared data produced the same RMSEP of 5.1. Global subset models, based on any of the spectroscopies and olive oil training sets from any class (pure, extra light, extra virgin), all failed to extrapolate to the non-olive oils. However, the near-infrared global subset model built on extra virgin olive oil could extrapolate to test samples from other olive oil classes. This work demonstrates the difficulty of developing a truly global method for determining peroxide value of oils.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Visibility and annoyance of the phantom array effect varies with age and history of migraine

The phantom array effect (PAE) is a series of repeated images that may be perceived when a person moves their eyes in large saccades across a light source (or a specular reflection of that light source) that is modulating in output over time. Fifty-five people, including a group of 25 who experience migraine, evaluated the visibility and annoyingness of phantom arrays produced by 85 unique temporal light modulation waveforms (including sine, rectangular, complex and DC waveforms) generated using an LED placed against a black background. Those with migraine exhibited higher average visibility compared to those without migraine ( p = 0.019) and were relatively more sensitive at higher frequencies ( p < 0.001). Younger participants also found more stimuli to be visible ( p < 0.001). The threshold sensitivity function was similar to that developed for the phantom array visibility measure (PAVM), and PAVM was effective in predicting visibility ( R 2 = 0.87 for the relevant region of PAVM < 3). While those in the migraine group did not report seeing the PAE more often in everyday life at a statistically significant level, they reported being more annoyed by it and having more unwanted physiological responses (headaches, eye fatigue and distraction/disorientation). Members of the migraine group were also more likely to have changed their behaviour in architectural spaces (such as leaving a restaurant with ‘flickering’ lights). In the four hours after completing the experiment, 64% of the migraine group (vs. 19% of the non-migraine group) reported experiencing discomfort or an adverse reaction. In particular, 41% reported experiencing a headache (vs. 8% for those in the non-migraine group).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Thermal dissipation sensors enter a new age: Navigating frontiers in transpiration and hydrologic function

Thermal dissipation (TD) sensors have been used extensively for a wide array of sap flow applications, and yet recently several limitations of this approach have been identified, including a tendency to underestimate absolute flows, especially in small stems with very high flows. However, when used properly, the TD method remains the most cost effective and reliable approach for determining relative flows in comparison studies. Major advantages of this method include the ability to replicate maximally within trees, across trees of different sizes, and across multiple species to capture the full range of natural variation in the study system. From early studies, such variation has been deemed a major challenge for representing stand-level dynamics. In a series of recent comparison studies, we determined mean sap flux density dynamics within and among groups of trees. These studies were conducted within temperate coniferous forest (n=46), temperate oak savanna (n=36), temperate pine forest (n=49), temperate bottomland hardwood forest (n=23), tropical premontane rainforest (n=43), semiarid subtropical shrubland (n=25), and tropical dry forest (n=15), with a total of 237 sensors. Two study sites were also equipped with eddy covariance systems for determination of stand-level evapotranspiration. Sites subject to high background thermal gradients used the transient thermal dissipation method. Comparisons varied between studies but tended to focus on relative flow differences between species, between wetter and drier microsites, between understory and overstory components, or between wetter and drier periods of the growing season. Except for the shrubland sites, study trees tended to be at least 15-cm diameter and frequently exceeded 50-cm diameter. Results of this cross-site comparison highlight the inherent variation in natural stands and the importance of using large sample sizes. The TD approach remains a valuable and preferred method for the future determination of water use in trees. However, sensor replication can fundamentally impact a study's outcomes and should be more carefully considered in study design. Customized error mitigation strategies are best to address the sources of variation most problematic for a particular study. In conclusion, the development of “smart” calibration approaches that correct for fundamental effects of radial variation inherent in thermal dissipation studies is discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A 500 KV INVERTED GEOEMTRY FEEDTHROUGH FOR A HIGH VOLT-AGE DC ELECTRON GUN

The Continuous Electron Beam Accelerator Facility injector at Jefferson Lab (JLab) utilizes an inverted-geometry ceramic insulator photogun operating at 130 kV direct current to generate spin-polarized electron beams for high-energy nuclear physics experiments. A second photogun delivers 180 keV beam for commissioning a SRF booster in a testbed accelerator, and a larger version delivers 300 keV magnetized beam in a test stand beam line. This contribution reports on the development of an unprecedented inverted-insulator with cable connector for reliably applying 500 kV DC to a future polarized beam photogun, to be designed for operating at 350 kV without field emission. Such a photogun design could then be used for generating a polarized electron beam to drive a spin-polarized positron source as a demonstrator for high energy nuclear physics at JLab. There are no commercial cable connectors that fit the large inverted insulators required for that voltage range. Our proposed concept is based on a modified epoxy receptacle with intervening SF6 layer and a test electrode in a vacuum vessel.

Hernandez-Garcia, C.↗
DOE OSTI2021

Learning to Rank in the Age of Muppets: Effectiveness–Efficiency Tradeoffs in Multi-Stage Ranking

It is well known that rerankers built on pretrained transformer models such as BERT have dramatically improved retrieval effectiveness in many tasks. However, these gains have come at substantial costs in terms of efficiency, as noted by many researchers. In this work, we show that it is possible to retain the benefits of transformer-based rerankers in a multi-stage reranking pipeline by first using feature-based learning-to-rank techniques to reduce the number of candidate documents under consideration without adversely affecting their quality in terms of recall. Applied to the MS MARCO passage and document ranking tasks, we are able to achieve the same level of effectiveness, but with up to 18 increase in efficiency. Furthermore, our techniques are orthogonal to other methods focused on accelerating transformer inference, and thus can be combined for even greater efficiency gains. A higher-level message from our work is that, even though pretrained transformers dominate the modern IR landscape, there are still important roles for “traditional” LTR techniques, and that we should not forget history.

catalysis↗
DOE OSTI2020

Paleotopography controls weathering of Cambrian-age profiles beneath the Great Unconformity, St. Francois Mountains, SE Missouri, U.S.A.

ABSTRACT Precambrian (1.4 to 1.5 Ga) granite and rhyolite in the St. Francois Mountains at the northeast corner of the Ozark Plateau in Missouri has been altered down to a depth up to 8 meters below the Great Unconformity (the contact between Paleozoic sedimentary rock and underlying Precambrian). Petrographic, geochemical, and mineralogic data indicate that at least two events generated this alteration: 1) surficial weathering due to subaerial exposure of the granite before Cambrian burial—this material is preserved as a paleosol; and 2) alteration due to reaction with basinal fluids channeled along the unconformity from nearby sedimentary basins long after burial by Paleozoic strata. To assess the variation between surficial weathering and basinal fluid alteration, we measured and sampled for petrologic, geochemical, and mineralogic data in the rock at and just below the Great Unconformity at three paleoelevations. Whole-rock geochemical oxide and X-ray diffraction data indicate that K-metasomatism and highly crystalline illite occurred in each profile. The K increase reflects crystallization of authigenic feldspar and illite from basinal fluids that were channeled along the Great Unconformity during younger Paleozoic fluid-flow events. Each profile also exhibits an upward increase in altered feldspar crystals and highly crystalline kaolinite, and an upward decrease in Ca and Na. Such changes reflect soil formation due to reaction with meteoric water before Cambrian burial, indicating that the altered granite was a paleosol before Paleozoic basinal fluid-flow events. Notably, the paleosol at the highest paleoelevation displays the least amount of paleoweathering and the paleosol at the lowest displays the greatest amount of paleoweathering. These results demonstrate that not only can characteristics of the paleosol just below the Great Unconformity be recognized in the St. Francois Mountains, despite subsequent alteration, but also it is possible to detect variations in soil thickness that were controlled by slope steepness and, therefore, water availability and/or soil creep or failure. This spatial relationship is compatible with studies of modern soils which indicate that soil character varies with position on a slope.

Geology↗
DOE OSTI2021

Observational Capabilities to Capture Water Cycle Event Dynamics and Impacts in the Age of AI

This whitepaper is responsive to focal area (1) Data acquisition and assimilation enabled by machine learning (ML), Artificial Intelligence (AI), and advanced methods. Here we describe how Earth observations specific to water cycle disturbances can be collected in parallel with and integrated into future model development, and make use of the latest technologies other than AI/ ML such as 5G/satellite, edge computing, big data technologies, and cloud computing.

58 GEOSCIENCES↗
DOE OSTI2021

First principles calculations in support of Pu aging: calculating the effects of lattice imperfections on thermodynamics

Plutonium (Pu) has, in theory, well defined crystal structures: its atoms are arranged in regular spatial patterns. But Pu is radioactive, and as its nuclei decay those regular spatial patterns are interrupted. The interruptions are lattice imperfections, which are known to affect how materials respond to their environment. To adequately model Pu, we need to know which lattice imperfections are present, how they interact with each other, and how they affect the material’s response to its environment. The work presented here aims to use density functional theory (DFT) calculations to begin to answer the latter, in particular, how individual lattice imperfections affect measurable effects including thermal expansion (the change in volume in response to a change in temperature), heat capacity (the amount of thermal energy needed to change a material’s temperature), and elastic moduli (a material’s resistance to applied stresses). Pu poses many computational challenges. The $\textit{f}$ electrons require special attention. Of all the elements, Pu has the largest number of electrons that must be included in the calculations. Thermal effects require calculating the phonons (the lattice vibrations), which for systems containing lattice imperfections demand large, complex computational cells - but computational resources limit the size and complexity. With careful restructuring of how the calculations are performed, all these challenges have been met to enable calculations that provide insight into how lattice imperfections affect Pu’s response to its environment. Reported here are the computational challenges and the advances developed to meet them, along with the first results showing the strong effect that one prototype lattice imperfection (an interstitial Pu atom in a delta-phase Pu lattice) has on Pu’s response to its environment.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Assessment of Aging Degradation Mechanisms of Alloy 709 for Sodium Fast Reactors

This project was initiated in October 2015 to investigate the creep and creep-fatigue behavior of Alloy 709 for structural components in Gen IV sodium cooled fast spectrum reactors. The goal of this project is to develop an understanding of the mechanisms responsible for the behavior of austenitic stainless steel alloy 709 under accelerated testing conditions to confidently predict long term creep and creep-fatigue behavior at the times (500,000 hours) and temperatures (550°C) of interest for fast reactor structural applications. Alloy 709 has exhibited significantly better creep resistance than Alloy 316H, which is currently specified in design of fast reactor structural components. However, the alloy has not been code qualified for elevated temperature nuclear design. The elevated temperature microstructure stability and creep and creep-fatigue behavior need to be better understood so service life can be accurately predicted. Alloy 709 was developed for fossil boiler applications, which operate at a higher temperature than the nuclear components. Thus, there is a strong need to characterize its creep and creep-fatigue behavior at these lower temperatures and corresponding longer service lifetimes. The overall objective of this project is to develop sufficient understanding of the mechanisms responsible for behavior of Alloy 709 under accelerated testing conditions to confidently predict long term creep and creep-fatigue behavior at the times (500,000 hours) and temperatures (550°C) of interest for fast reactor structural applications. The following report summarizes the findings of the creep-fatigue and creep behavior with respect to the research questions identified during the course of the project. Additionally, the training and professional development that occurred through the project and the products resulting from the project are summarized.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deformation Mechanism of Age Hardened Alloy 709 Materials

This report provides an in-depth study of the microstructures of creep-deformed Alloy 790 materials. Five specimens, all creep-tested at 600°C under 330 MPa to failure, were investigated. The creep specimens were machined from plates fabricated by different melt practices, Argon Oxygen Decarburization (AOD), or AOD followed by Electroslag remelting (ESR), and different heat treatments: 1100 or 1150°C Solution Anneal (SA), and some with additional Precipitation Treatment (PT) of 775°C for 10 hours. TEM samples were made from the gauge and the grip sections of each creep-deformed specimen. Bright-field (BF) imaging, high-angle annular dark field (HAADF) imaging, and energy dispersive x-ray spectroscopy (EDS) using a scanning transmission electron microscope (STEM) were carried out on all the samples.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Cesium Batch Contact Equilibrium Testing of Crystalline Silicotitanate (CST) Sieve Cuts in SRS Average Simulant and Examination of CST Samples Aged in Caustic and Simulant in Support of Tank Closure Cesium Removal 1A (TCCR-1A)

Batch contact testing to determine cesium equilibrium loading on Crystalline Silicotitanate ion exchange media in Savannah River Site Average Waste Simulant at 25 °C indicated that smaller diameter particles isolated by sieving pretreated CST media may load slightly higher (<10%) amounts of cesium, though the differences are within analytical uncertainty. In addition, ion exchange media sub-samples stored in 2-4 M NaOH and caustic simulant solutions for ~2.5 years were examined by optical microscopy and the 3 M NaOH sample was also analyzed to determine whether changes in the particle size distribution occurred during storage. No visual indications of particle attrition or agglomeration were observed for any sample. Particle size analysis indicated that a slight decrease occurred in the average particle diameter following contact with 3 M NaOH (541 µm average diameter versus 566 µm for the pretreated CST prior to contact). A small increase (from 0 to <0.5 wt. %) in the number of particles ranging from 271 and 322 µm was also observed for the CST sample contacted with 3 M NaOH relative to a sample of the original pretreated material. However, this small change could be due to sub-sampling differences or analytical uncertainty. It does not appear that small particles are formed to a significant degree during CST caustic contact or that small particles which do form (presumably from attrition of larger particles during pretreatment) load significantly more cesium than the bulk material. Minimal other negative consequences were observed associated with CST extended caustic or simulant contact, except for the tendency for more concentrated salt solutions to form some salt crystals which deposit on the media over time.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Fundamental Understanding of Cu-zeolite SCR Catalyst Aging Mechanism (CRADA 452)

The CRADA between Cummins and Pacific Northwest National Laboratory (PNNL) will focus on advanced emission control for high-efficiency engines. It will specifically focus on the following three areas: 1. Passive NOx absorbers - The purpose is to develop next generation materials that can be efficiently used to address the cold-operation, as driven by improved engine efficiency. 2. Oxidation of methane and short alkanes – The purpose is to address cold-operation emissions arising from CNG vehicles. 3. Improved understanding of particulates–the purpose is to understand how particulates are formed which will be used to develop strategies to address the tightening regulations and their enforcement for exhaust particulate matter. The first two areas will be based on PNNL’s technical leadership in the area of zeolite-based materials. The third area will have a shorter time scope to leverage the unique SPLAT capabilities at PNNL to help address Cummins’ needs in improving the understanding of particulates.

33 ADVANCED PROPULSION SYSTEMS↗