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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 127 records · Page 7

Understanding reliability and some limitations of the images and spectra reconstructed from a multi-monochromatic x-ray imager

Temperature and density asymmetry diagnosis is critical to advance inertial confinement fusion (ICF) science. A multi-monochromatic x-ray imager (MMI) is an attractive diagnostic for this purpose. The MMI records the spectral signature from an ICF implosion core with time resolution, 2-D space resolution, and spectral resolution. While narrow-band images and 2-D space-resolved spectra from the MMI data constrain temperature and density spatial structure of the core, the accuracy of the images and spectra depends not only on the quality of the MMI data but also on the reliability of the post-processing tools. In this paper, we synthetically quantify the accuracy of images and spectra reconstructed from MMI data. Errors in the reconstructed images are less than a few percent when the space-resolution effect is applied to the modeled images. The errors in the reconstructed 2-D space-resolved spectra are also less than a few percent except those for the peripheral regions. Spectra reconstructed for the peripheral regions have slightly but systematically lower intensities by ~6% due to the instrumental spatial-resolution effects. However, this does not alter the relative line ratios and widths and thus does not affect the temperature and density diagnostics. We also investigate the impact of the pinhole size variation on the extracted images and spectra. A 10% pinhole size variation could introduce spatial bias to the images and spectra of ~10%. A correction algorithm is developed, and it successfully reduces the errors to a few percent. Finally, it is desirable to perform similar synthetic investigations to fully understand the reliability and limitations of each MMI application.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Using snowflake surface-area-to-volume ratio to model and interpret snowfall triple-frequency radar signatures

Abstract. The snowflake microstructure determines the microwave scattering properties of individual snowflakes and has a strong impact on snowfall radar signatures. In this study, individual snowflakes are represented by collections of randomly distributed ice spheres where the size and number of the constituent ice spheres are specified by the snowflake mass and surface-area-to-volume ratio (SAV) and the bounding volume of each ice sphere collection is given by the snowflake maximum dimension. Radar backscatter cross sections for the ice sphere collections are calculated at X-, Ku-, Ka-, and W-band frequencies and then used to model triple-frequency radar signatures for exponential snowflake size distributions (SSDs). Additionally, snowflake complexity values obtained from high-resolution multi-view snowflake images are used as an indicator of snowflake SAV to derive snowfall triple-frequency radar signatures. The modeled snowfall triple-frequency radar signatures cover a wide range of triple-frequency signatures that were previously determined from radar reflectivity measurements and illustrate characteristic differences related to snow type, quantified through snowflake SAV, and snowflake size. The results show high sensitivity to snowflake SAV and SSD maximum size but are generally less affected by uncertainties in the parameterization of snowflake mass, indicating the importance of snowflake SAV for the interpretation of snowfall triple-frequency radar signatures.

54 ENVIRONMENTAL SCIENCES↗

Terrace Geochemistry at the Shiprock, New Mexico, Disposal Site - WM2017-17232 Initial Phase

The objective of this investigation was to identify and differentiate potential non- mill-related water inputs to a shallow terrace groundwater system through the use of aqueous chemical and isotopic tracers at a former uranium- and vanadium-ore processing facility. Terrace groundwater in the vicinity of the Shiprock, New Mexico, site is hypothesized to be largely anthropogenic because natural rates of recharge in the terrace are likely insufficient to sustain a continuous water table in the terrace alluvial system, as observed in several analogue terrace locations east of the site and in response to post-mill dewatering efforts across the site. The terrace is composed of alluvial sand and gravel and weathered and unweathered Mancos Shale. Terrace groundwater exists and flows in the alluvium and to a much less extent in the Mancos Shale. Historical data established that in both the terrace and floodplain below the terrace, mill-derived uranium and sulfate is found primarily in the alluvium and the upper portion of the weathered Mancos Shale. Groundwater extraction is being conducted in the vicinity of former mill operations and in washes and seeps to dewater the formation and remove contamination, thus eliminating these exposure pathways and minimizing movement to the floodplain. However, past and present contribution of non-mill anthropogenic water sources may be hindering the dewatering effort, resulting in reduced remedy effectiveness. Groundwater source signatures can be determined based on chemical and isotopic ratios and are used to help identify and delineate both mill and non-mill water contributions. Aqueous chemical and isotopic tracers, such as 234U/238U activity ratios and uranium concentrations, δ34S sulfate and sulfate concentrations, tritium concentrations, and δ2Hwater and δ18O water are being used in this Phase I study. The aqueous chemical and isotopic analysis has identified areas on the terrace where groundwater is derived from mill-related activities and areas where the groundwater is associated with non-mill activities. A separate field effort of Phase II work will follow, including investigating additional locations for these isotopes and examination of δ18Osulfate , δ34Ssulfate , and chlorofluorocarbon signatures.

54 ENVIRONMENTAL SCIENCES↗

The Low-Yield Nuclear Monitoring (LYNM) Experimental Science Plan

The Low-Yield Nuclear Monitoring (LYNM) Program is a long-term NNSA research and development effort designed to improve the United States’ explosion monitoring capabilities, particularly with respect to low-yield and potentially evasive underground nuclear testing. The LYNM Program focuses on researching, discovering, and exploiting unique and useful signatures, from all available technologies and sensors (e.g., seismic, acoustic, electromagnetic, gases, and particulates (both stable and radioactive)). Four Department of Energy laboratories participate in LYNM and together are referred to as the ‘quad-lab’. The R&D program execution is performed under NNSA defined structures known as “ventures”. Four science ventures were established: 1) Explosion Source Functions; 2) Containment of Low-Yield Underground Tests; 3) Local Signatures; 4) Dynamic Monitoring Networks. To organize and execute the large field scale experiment a fifth venture was established: 5) Physics Experiment One (PE-1). As part of the LYNM Program, a series of experiments are planned at various scales and levels of venture involvement. These vary from those that involve a subset of labs and/or LYNM ventures (e.g., small experiments), to full quad-lab LYNM Program field-scale integrated experiments. Such experiments may involve chemical explosions with tracer materials or other means of simulating the expected signals from a nuclear explosion. The LYNM Program does not conduct actual nuclear explosions. Since 1992, the U.S. has observed a moratorium on underground nuclear explosions. This document is intended to provide the underlying scientific basis for the LYNM planned experimental work. Each specific LYNM experiment will develop a goals, objectives, and requirements (GOR) plan following the guidance in this document. The LYNM technical staff will define the numbers and types of experiments required over the course of the Program based on technical needs and within funding constraints. As with any scientific experiment series, the number and types of experiments may change based upon the experimental results obtained. An experiment that agrees with models/codes/software signature predictions may need fewer repetitions/variations, depending upon the level of statistical rigor desired, as compared to one in which the predictions and experimental data do not match. The large LYNM field-scale integrated experiments require the longest lead-time for planning, and these are discussed in more detail near the end of this document.

58 GEOSCIENCES↗

THERMAL REACTIONS OF OXYGEN ATOMS WITH ALKENES AT LOW TEMPERATURES ON INTERSTELLAR DUST

Laboratory experiments show that the thermal heterogeneous reactions of oxygen atoms may contribute to the synthesis of epoxides in interstellar clouds. The data set also indicates that the contribution of these pathways to epoxide formation, in comparison to non-thermal routes, is likely to be strongly temperature dependent. Our results indicate that an increased abundance of epoxides, relative to the corresponding aldehydes, could be an observational signature of a significant contribution to molecular oxidation via thermal O atom reactions with alkenes. Specifically surface science experiments show that both C{sub 2}H{sub 4}O and C{sub 3}H{sub 6}O are readily formed from reactions of ethene and propene molecules with thermalized oxygen atoms at temperatures in the range of 12-90 K. It is clear from our experiments that these reactions, on a graphite surface, proceed with significantly reduced reaction barriers compared with those operating in the gas phase. For both the C{sub 2}H{sub 4} + O and the C{sub 3}H{sub 6} + O reactions, the surface reaction barriers we determine are reduced by approximately an order of magnitude compared with the barriers in the gas phase. The modeling of our experimental results, which determines these reaction barriers, also extracts desorption energies and rate coefficients for the title reactions. Our results clearly show that the major product from the O + C{sub 2}H{sub 4} reaction is ethylene oxide, an epoxide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Uncovering New Physics in the Cosmic Microwave Background: Developing Novel Theoretical Models and Machine-Learning-Powered Constraints

The search for evidence of new physics via its signatures in the cosmos is a cornerstone goal of the Office of High Energy Physics in the DOE Office of Science. Indeed, the current concordance cosmological model provides intriguing hints for beyond-the-standard-model (BSM) physics, such as dark matter and dark energy. Recently, a potential breakdown has appeared in this model, which could be initial evidence toward a further important revision in our fundamental theoretical understanding of cosmology. This breakdown is reflected in disagreements between inferences of the current expansion rate of the universe, H 0 (the Hubble constant), based on indirect, cosmological data (e.g., from the early universe) and based on direct, local measurements. Despite significant effort, a compelling new concordance cosmological model has yet to be found; achieving significant progress on this front was the first major focus of the project. Theoretical considerations indicate that if the observational discrepancies are not due to systematic errors, they strongly suggest new physics operating in the redshift range just prior to recombination, when cosmic microwave background (CMB) photons last scattered. Crucially, almost all such models produce unique signatures in the CMB temperature and polarization power spectra, which will be measured with unprecedented precision by ongoing and upcoming experiments, including the DOE-supported CMB-S4 project. However, these subtle hints of new physics must be uncovered from beneath a swath of Galactic and extragalactic foreground contamination. Current CMB analysis methods, although powerful, do not optimally infer the CMB power spectrum in the presence of non-Gaussian foregrounds. There is thus scope for theoretical improvement in this foundational challenge of cosmological inference, which formed the second major focus of the project. The primary objectives of the project were two-fold: (1) to develop new theoretical models in cosmology that can restore concordance amongst the full suite of cosmological data sets, thereby potentially providing evidence of novel BSM physics; (2) to develop new theoretical machinery to enable significant sensitivity improvements in searches for new physics in cosmology, particularly via the CMB power spectrum. The two objectives are intertwined, as the analysis methodology improvements in (2) will enable the tightest possible constraints on the signatures of new physics predicted by the novel scenarios in (1). The theoretical approaches to restore concordance focused on models involving novel scalar field dynamics in the pre-recombination universe (the “early dark energy” scenario and modifications thereof), as well as couplings between this field and other components in the standard cosmological model, such as dark matter. We also studied a model featuring a generalization of the decaying dark matter scenario, in which a sub-component of dark matter converts into dark radiation at late times in cosmic history. While these ideas are mostly driven by phenomenological considerations, this tactic has proven extremely successful in cosmology throughout the past few decades, including in the early history of evidence for dark matter and dark energy. The new theoretical machinery envisioned in (2) is undergirded by developments in signal processing and machine learning, which will enable improvements in CMB power spectrum estimation in the presence of non-Gaussian foreground contaminants. In turn, this will yield optimal sensitivity in searches for new physics in the CMB, by maximizing the cosmological information that is extracted from this observable. The most ambitious outcome of this work would be the construction of a new cosmological model that restores concordance amongst data sets. Although the individual models studied here did not fully achieve that goal, significant progress in narrowing down the model space was made, as described below. Moreover, the outcome of the methodological improvements in (2) will significantly impact a wide range of theoretical cosmology, by enabling the tightest possible constraints on any model that leaves novel signatures in the CMB temperature and polarization power spectra.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantized Constant-Q Gabor Atoms for Sparse Binary Representations of Cyber-Physical Signatures

Increased data acquisition by uncalibrated, heterogeneous digital sensor systems such as smartphones present new challenges. Binary metrics are proposed for the quantification of cyber-physical signal characteristics and features, and a standardized constant-Q variation of the Gabor atom is developed for use with wavelet transforms. Two different continuous wavelet transform (CWT) reconstruction formulas are presented and tested under different signal to noise ratio (SNR) conditions. A sparse superposition of Nth order Gabor atoms worked well against a synthetic blast transient using the wavelet entropy and an entropy-like parametrization of the SNR as the CWT coefficient-weighting functions. The proposed methods should be well suited for sparse feature extraction and dictionary-based machine learning across multiple sensor modalities.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Down-regulation of hTERT and Cyclin D1 transcription via PI3K/Akt and TGF-β pathways in MCF-7 Cancer cells with PX-866 and Raloxifene

Human telomerase reverse transcriptase (hTERT) is the catalytic and limiting component of telomerase and also a transcription factor. It is critical to the integrity of the ends of linear chromosomes and to the regulation, extent and rate of cell cycle progression in multicellular eukaryotes. The level of hTERT expression is essential to a wide range of bodily functions and to avoidance of disease conditions, such as cancer, that are mediated in part by aberrant level and regulation of cell cycle proliferation. Value of a gene in regulation depends on its ability to both receive input from multiple sources and transmit signals to multiple effectors. The expression of hTERT and the progression of the cell cycle have been shown to be regulated by an extensive network of gene products and signaling pathways, including the PI3K/Akt and TGF-β pathways. The PI3K inhibitor PX-866 and the competitive estrogen receptor ligand raloxifene have been shown to modify progression of those pathways and, in combination, to decrease proliferation of estrogen receptor positive (ER+) MCF-7 breast cancer cells. We found that combinations of modulators of those pathways decreased not only hTERT transcription but also transcription of additional essential cell cycle regulators such as Cyclin D1. By evaluating known expression profile signatures for TGF-β pathway diversions, we confirmed additional genes such as heparin-binding epidermal growth factor-like growth factor (HB EGF) by which those pathways and their perturbations may also modify cell cycle progression. - Highlights: • PX-866 and raloxifene affect the PI3K/Akt and TGF-β pathways. • PX-866 and raloxifene down-regulate genes up-regulated in cancer. • PX-866 and raloxifene decrease transcription of hTERT and Cyclin D1. • Pathological transcription signatures can identify new defense mechanisms.

60 APPLIED LIFE SCIENCES↗

CHARACTERISTICS OF PLANETARY CANDIDATES OBSERVED BY KEPLER. II. ANALYSIS OF THE FIRST FOUR MONTHS OF DATA

On 2011 February 1 the Kepler mission released data for 156,453 stars observed from the beginning of the science observations on 2009 May 2 through September 16. There are 1235 planetary candidates with transit-like signatures detected in this period. These are associated with 997 host stars. Distributions of the characteristics of the planetary candidates are separated into five class sizes: 68 candidates of approximately Earth-size (R{sub p} < 1.25 R{sub +}), 288 super-Earth-size (1.25 R{sub +} {<=} R{sub p} < 2 R{sub +}), 662 Neptune-size (2 R{sub +} {<=} R{sub p} < 6 R{sub +}), 165 Jupiter-size (6 R{sub +} {<=} R{sub p} < 15 R{sub +}), and 19 up to twice the size of Jupiter (15 R{sub +} {<=} R{sub p} < 22 R{sub +}). In the temperature range appropriate for the habitable zone, 54 candidates are found with sizes ranging from Earth-size to larger than that of Jupiter. Six are less than twice the size of the Earth. Over 74% of the planetary candidates are smaller than Neptune. The observed number versus size distribution of planetary candidates increases to a peak at two to three times the Earth-size and then declines inversely proportional to the area of the candidate. Our current best estimates of the intrinsic frequencies of planetary candidates, after correcting for geometric and sensitivity biases, are 5% for Earth-size candidates, 8% for super-Earth-size candidates, 18% for Neptune-size candidates, 2% for Jupiter-size candidates, and 0.1% for very large candidates; a total of 0.34 candidates per star. Multi-candidate, transiting systems are frequent; 17% of the host stars have multi-candidate systems, and 34% of all the candidates are part of multi-candidate systems.

79 ASTRONOMY AND ASTROPHYSICS↗

CRM125-A optical imaging report

A pellet of the CRM125-A was imaged by optical microscope. A single fragment came apart from the pellet during laboratory handling and was retained, but does not reflect signatures otherwise relating to the sample history.

36 MATERIALS SCIENCE↗

Real-time monitoring of plutonium content in uranium-plutonium alloys

A method and device for the real-time, in-situ monitoring of Plutonium content in U--Pu Alloys comprising providing a crucible. The crucible has an interior non-reactive to a metallic U--Pu alloy within said interior of said crucible. The U--Pu alloy comprises metallic uranium and plutonium. The U--Pu alloy is heated to a liquid in an inert or reducing atmosphere. The heated U--Pu alloy is then cooled to a solid in an inert or reducing atmosphere. As the U--Pu alloy is cooled, the temperature of the U--Pu alloy is monitored. A solidification temperature signature is determined from the monitored temperature of the U--Pu alloy during the step of cooling. The amount of Uranium and the amount of Plutonium in the U--Pu alloy is then determined from the determined solidification temperature signature.

36 MATERIALS SCIENCE↗

Volatility Studies of Lanthanide Hexafluoroacetylacetone Chelates

Nuclear forensics has become very important to the field of nuclear security, where there is considerable interest in developing rapid separations of radionuclides and isotopes. Although prevention and detection form the foundation of nuclear security science, in the unfortunate event of detonation of a nuclear device, the fallout debris can be analyzed for signature isotopes that may provide evidence on the origin and type of nuclear materials. This is of considerable political importance to many governing bodies and this information is desired in a timely manner. One method of analysis is the rapid gas phase separation of rare earth metals from other components of the debris via isothermal thermochromatography. Lanthanides cover a portion of the fission product curve with varying yields dependent on a number of variables (e.g. neutron energy, fissile parent, etc), motivating the chromatographic separation of these elements. In previous work, 1,1,1,5,5,5 - hexafluoroacetylacetone (hfac) has been shown to produce volatile complexes with lanthanides. Thermochromatography is a gas phase separation method that utilizes temperature gradients on a column to vary adsorption location or constant column temperatures to vary retention time. The adsorption time of a compound on a column, i.e. retention time, is dependent on the thermodynamics, most notably the adsorption enthalpy. Studies of heavy metals have generated empirical correlations between adsorption enthalpy on a quartz column and sublimation enthalpy of the solid material. Thermogravimetric analysis (TGA) is useful in the characterization of the thermodynamics of materials, especially the sublimation enthalpy. Many methods analyze weight loss curves as a function of a constant heating rate. Another method introduced by Ashcroft analyzes weight loss curves over isothermal heating regions. Work presented here focuses on the determination of the sublimation enthalpies of thirteen lanthanide hfac complexes via the latter method. Additionally, there is investigation into the degradation of the compound via constant heating TGA up to higher temperatures. This provides information on the onset and end-set temperatures of degradation stages, as well as the peak temperature at which total sublimation occurs. (authors)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Signatures of a liquid–liquid transition in an ab initio deep neural network model for water

Significance Water is central across much of the physical and biological sciences and exhibits physical properties that are qualitatively distinct from those of most other liquids. Understanding the microscopic basis of water’s peculiar properties remains an active area of research. One intriguing hypothesis is that liquid water can separate into metastable high- and low-density liquid phases at low temperatures and high pressures, and the existence of this liquid–liquid transition could explain many of water’s anomalous properties. We used state-of-the-art approaches in computational quantum chemistry, statistical mechanics, and machine learning and obtained evidence consistent with a liquid–liquid transition, supporting the argument for the existence of this phenomenon in real water.

36 MATERIALS SCIENCE↗

17 O–excess as a detector for co–extracted organics in vapor analyses of plant isotope signatures

The stable isotope compositions of hydrogen and oxygen in water (δ 2 H and δ 18 O values) have been widely used to investigate plant water sources, but traditional isotopic measurements of plant waters are expensive and labor intensive. Recent work with direct vapor equilibration (DVE) on laser spectroscopy has shown potential to side step limitations imposed by traditional methods. Here, we evaluate DVE analysis of plants with a focus on spectral contamination introduced by organic compounds. Furthermore, we present 17 O–excess as a way of quantifying organic compound interference in DVE.

17O‐excess↗