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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 559 records · Page 31

Non-LTE model atmosphere analysis of Nova Cygni 1992

We use spherically symmetric non-local thermodynamic equilibrium (non-LTE), line-blanketed, expanding model atmospheres to analyze the International Ultraviolet Explorer (IUE) and optical spectra of Nova Cygni 1992 during the early phases of its outburst. We find that the first IUE spectrum obtained just after discovery on 1992 February 20, is best reproduced by a model atmosphere with a steep density gradient and homologous expansion, whereas the IUE and optical spectra obtained on February 24 show an extended, optically thick, wind structure. Therefore, we distinguish two phases of the early evolution of the nova photosphere: the initial, rapid, 'fireball' phase and the subsequent, much longer, optically thick 'wind' phase. The importance of line-blanketing in nova spectra is demonstrated. Our preliminary abundance analysis implies that hydrogen is depeleted in the ejecta, corresponding to abundance enhancements of Fe by a factor of approximately 2 and of CNO by more than a factor of 10 when compared to solar abundances. The synthetic spectra reproduce both the observed pseudo-continua as well as most of the observed features from the UV to the optical spectral range and demonstrate the importance of obtaining nearly simultaneous UV and optical spectra for performing accurate analyses of expanding stellar atmospheres (for both novae and supernovae).

Hauschildt, P. H.↗

A Machine Learning Approach to Quantitative Analysis of Enamel Microstructure from Scanning Electron Microscopy Images

Dental enamel, the outermost tissue of mammalian teeth, must withstand a lifetime of wear and cyclic contact. To meet this demand, enamel possesses a combination of high hardness and resistance to fracture, properties that are typically mutually exclusive. The impressive damage tolerance has been attributed largely to decussation of the enamel rods, the principal unit of its microstructure. As such, enamel is inspiring the design of next‐generation structural materials. However, quantitative descriptions of the decussated enamel rod microstructure remain limited due to challenges encountered in applying computed tomography and in acquiring quality images appropriate for traditional digital processing methods. Here, a machine learning segmentation method is applied to images of the enamel obtained using scanning electron microscopy to support quantitative analysis of the microstructure. A pretrained convolutional neural network is used to expand the input training image dataset to allow the training of a random forest classifier, which ultimately segments the image with a very small training set ( n = 3 images). A validation of this segmentation method is presented, in addition to its application to calculate relevant microstructural parameters for images of tooth enamel from selected mammalian species. The methodology applied here is equally applicable to other hard tissues.

36 MATERIALS SCIENCE↗

Development of a heterogeneous nanostructure through abnormal recrystallization of a nanotwinned Ni superalloy

This work explores the development of a heterogeneous nanostructured material through leveraging abnormal recrystallization, which is a prominent phenomenon in coarse-grained Ni-based superalloys. Additionally, through synthesis of a sputtered Inconel 725 film with a heterogeneous distribution of stored energy and subsequent aging treatments at 730°C, a unique combination of grain sizes and morphologies was observed throughout the thickness of the material. Three distinct domains are formed in the aged microstructure, where abnormally large grains are observed in-between a nanocrystalline and a nanotwinned region. In order to investigate the transitions towards a heterogeneous structure, crystallographic orientation and elemental mapping at interval aging times up to 8 h revealed the microstructural evolution and precipitation behavior. From the experimental observations and the detailed analysis of this study, the current methodology can be utilized to further expand the design space of current heterogeneous nanostructured materials.

36 MATERIALS SCIENCE↗

The single-cell transcriptome program of nodule development cellular lineages in Medicago truncatula

Legumes establish a symbiotic relationship with nitrogen-fixing rhizobia by developing nodules. Nodules are modified lateral roots that undergo changes in their cellular development in response to bacteria, but the transcriptional reprogramming that occurs in these root cells remains largely uncharacterized. Here, we describe the cell-type-specific transcriptome response of Medicago truncatula roots to rhizobia during early nodule development in the wild-type genotype Jemalong A17, complemented with a hypernodulating mutant (sunn-4) to expand the cell population responding to infection and subsequent biological inferences. The analysis identifies epidermal root hair and stele sub-cell types associated with a symbiotic response to infection and regulation of nodule proliferation. Trajectory inference shows cortex-derived cell lineages differentiating to form the nodule primordia and, posteriorly, its meristem, while modulating the regulation of phytohormone-related genes. Gene regulatory analysis of the cell transcriptomes identifies new regulators of nodulation, including STYLISH 4, for which the function is validated.

Cell Biology↗

Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation

In chemical kinetics research, kinetic models containing hundreds of species and tens of thousands of elementary reactions are commonly used to understand and predict the behavior of reactive chemical systems. Reaction Mechanism Generator (RMG) is a software suite developed to automatically generate such models by incorporating and extrapolating from a database of known thermochemical and kinetic parameters. Here, we present the recent version 3 release of RMG and highlight improvements since the previously published description of RMG v1.0. Most notably, RMG can now generate heterogeneous catalysis models in addition to the previously available gas- and liquid-phase capabilities. For model analysis, new methods for local and global uncertainty analysis have been implemented to supplement first-order sensitivity analysis. The RMG database of thermochemical and kinetic parameters has been significantly expanded to cover more types of chemistry. The present release includes parallelization for faster model generation and a new molecule isomorphism approach to improve computational performance. RMG has also been updated to use Python 3, ensuring compatibility with the latest cheminformatics and machine learning packages. Overall, RMG v3.0 includes many changes which improve the accuracy of the generated chemical mechanisms and allow for exploration of a wider range of chemical systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hot Hydrogen Testing of W-Coated UN Kernels in a Mo30W Matrix

Ceramic uranium mononitride (UN) is being considered as a reactor fuel for nuclear thermal propulsion. To avoid or reduce the dissociation of UN at the high temperatures needed, embedding it in a metallic matrix (cermet) has been proposed. To assess the viability of this concept, hot hydrogen testing of tungsten-coated UN kernels embedded in a Mo-30 wt% W (Mo30W) alloy matrix has been performed at temperatures from 1800°C to 2300°C. Both the isolated kernels and kernels consolidated by spark plasma sintering in the Mo30W matrix were tested. In addition to direct observations and mass loss measurements, the samples were analyzed by X-ray diffraction (XRD) and scanning electron microscopy (SEM)/energy dispersive X-ray spectroscopy (EDS) after each run. The decomposition of UN started at 1800°C despite the coating and matrix, and increased at 2000°C. Uranium seeped through the tungsten grain boundaries of the coating at all temperatures. The consolidated sample expanded irregularly at 2000°C through the formation of voids, and SEM/EDS analysis showed uranium-containing veins in the matrix consisting of U 2 Mo according to the XRD data. The observed pore generation at 2000°C was explained by the formation of water vapor from residual oxides and diffused hydrogen. At 2200°C and above, both the kernels and the consolidated samples melted through the formation of uranium or low–melting point uranium-molybdenum alloys.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Size Effect of Local Current-Voltage Characteristics of MX 2 Nanoflakes: Local Density of States Reconstruction from Scanning Tunneling Microscopy Experiments

Local current-voltage characteristics for low-dimensional transition-metal dichalcogenides (LDTMD), as well as the reconstruction of their local density of states (LDOS) from scanning tunneling microscopy (STM) experiments, are of fundamental interest and can be useful for advanced applications. Most of the existing models either have limited applicability for complex-shaped LDTMDs (e.g., those based on the Simmons approach) or require solving of an ill-defined integral equation to deconvolute the unknown LDOS (e.g., those based on the Tersoff approach). Using a serial expansion of the Tersoff formulas, we propose a flexible method to reconstruct the LDOS from local current-voltage characteristics measured in STM experiments. We establish a set of key physical parameters, which characterize the tunneling current of a STM-probe–sample contact and the sample LDOS expanded in Gaussian functions. Using a direct variational method coupled with probabilistic analysis, we determine these parameters from the STM experiments for MoS2 nanoflakes with different numbers of layers. The main result is the reconstruction of the LDOS in a relatively wide energy range around the Fermi level, which allows us to gain insight into the local band structure of LDTMDs. The reconstructed LDOS reveal pronounced size effects for the single-layer, two-layer, and three-layer MoS 2 nanoflakes, which we relate to the low dimensionality and strong bending or corrugation of the nanoflakes. We hope that the proposed elaboration of the Tersoff approach, allowing LDOS reconstruction, will be of critical interest for the quantitative description of STM experiments and also of use to better understand the microscopic physical aspects of the surface, strain, and bending contributions to the LDTMDs’ electronic properties.

42 ENGINEERING↗

Decay of the de Sitter vacuum

The decay rate of the Bunch-Davies state of a massive scalar field in the expanding flat spatial sections of de Sitter space is determined by an analysis of the particle pair creation process in real time. The Feynman definition of particle and antiparticle Fourier mode solutions of the scalar wave equation and their adiabatic phase analytically continued to the complexified time domain show conclusively that the Bunch-Davies state is not the vacuum state at late times. The closely analogous creation of charged particle pairs in a uniform electric field is reviewed and Schwinger’s result for the vacuum decay rate is recovered by this same real time analysis. The vacuum decay rate in each case is also calculated by switching the background field on adiabatically, allowing it to act for a very long time, and then adiabatically switching it off again. In both the uniform electric field and de Sitter cases, the particles created while the field is switched on are verified to be real, in the sense that they persist in the final asymptotic flat zero-field region. In the de Sitter case, there is an interesting residual dependence of the rate on how the de Sitter phase is ended, indicating a greater sensitivity to spatial boundary conditions. The electric current of the created particles in the E-field case and their energy density and pressure in the de Sitter case are also computed, and the magnitude of their backreaction effects on the background field estimated. Finally, possible consequences of the Hubble scale instability of the de Sitter vacuum for cosmology, vacuum dark energy, and the cosmological “constant” problem are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Performance of the reconstruction of large impact parameter tracks in the inner detector of ATLAS

Searches for long-lived particles (LLPs) are among the most promising avenues for discovering physics beyond the Standard Model at the Large Hadron Collider (LHC). However, displaced signatures are notoriously difficult to identify due to their ability to evade standard object reconstruction strategies. In particular, the ATLAS track reconstruction applies strict pointing requirements which limit sensitivity to charged particles originating far from the primary interaction point. To recover efficiency for LLPs decaying within the tracking detector volume, the ATLAS Collaboration employs a dedicated large-radius tracking (LRT) pass with loosened pointing requirements. During Run 2 of the LHC, the LRT implementation produced many incorrectly reconstructed tracks and was therefore only deployed in small subsets of events. In preparation for LHC Run 3, ATLAS has significantly improved both standard and large-radius track reconstruction performance, allowing for LRT to run in all events. This development greatly expands the potential phase-space of LLP searches and streamlines LLP analysis workflows. This paper will highlight the above achievement and report on the readiness of the ATLAS detector for track-based LLP searches in Run 3.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Prepared Statement of Dr. John Sarrao, Principal Associate Director, Science, Technology & Engineering, Los Alamos National Laboratory

Los Alamos has a 75 -year tradition of solving complex national security challenges using an interdisciplinary, team-based approach, providing solutions to decision makers. Our work in infrastructure analysis and grid research exemplifies this approach and includes our role in the National Infrastructure Simulation and Analysis Center supported by the Department of Homeland Security. Further, exercising and expanding our capabilities in these areas directly contributes to the successful performance of our core mission in stewarding the United States’ nuclear deterrent.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Potential Academic Research Topics of National Security Relevance

Since even before its establishment as an independent national security laboratory in 1949, Sandia has been devoted to an overarching mission of developing advanced technologies for global peace. These technologies have taken a variety of forms, and they exist in and must address an ever-changing global security environment. An understanding of that global security environment and its possible or likely evolution is therefore critical to ensuring that Sandia can maintain its focus on strategic technology investments that will benefit the nation in the next 20- 30 years. Sandia sustains multiple Systems Analysis organizations whose responsibility includes maintaining an understanding of the global security environment as it applies across multiple mission domains. The topics below include two from Sandia's emerging threats and biodefense mission, three with relevance to Sandia's cyber defense mission, and four of particular but not exclusive relevance to Sandia's nuclear deterrence mission. All are intended to spur independent academic thought that could assist Sandia as well as the broader national security community in anticipating and adapting to a continually changing world. Sandia anticipates periodic interactions between Sandia Systems Analysis staff and SciPol Scholars Program faculty and students who choose to expand upon these topics in order to provide opportunities for feedback and communication throughout 2020-2021.

54 ENVIRONMENTAL SCIENCES↗

Machine Learning Approaches to Predicting Induced Seismicity and Imaging Geothermal Reservoir Properties

This project developed machine learning (ML) methods, lab data sets, and field data to advance geothermal exploration and geothermal energy production. The work had three focus areas. One involved the development of ML methods to use microearthquakes (MEQs) for imaging geothermal reservoir properties and improving subsurface characterization – most importantly the evolution of permeability within the evolving reservoir. This part of the work included development of ML approaches for automated MEQ location, focal mechanism determination and identification of earthquake precursors. The second area focused on using MEQ signals generated by geothermal exploration and production to predict the relationship between fluid injection and seismicity. Here, we extended to reservoir scale our success in using ML to predict laboratory earthquakes and fault zone stress state. The third focus area was on lab experiments. Here, we developed new ML models for lab earthquake prediction and identification of precursors to failure to improve earthquake forecasting and early warning in geothermal settings. Major outcomes of our work include ML models that learn from MEQ signals during geothermal exploration and production to predict induced seismicity. MEQs occur naturally in connection with drilling and energy production. We developed ML methods to use the seismic waves from these events to characterize the elastic, hydraulic and poromechanical properties of reservoirs. Our work illuminated fracture geometry and the evolution of fracture permeability by incorporating seismic coda wave analysis and ML methods to relate fluid injection and seismicity. We significantly expanded laboratory earthquake prediction to include methods that use both passive measurements of microearthquakes within the lab fault zones and also active source acoustic measurements of fault zone elastic properties. These methods can now predict fault zone stress state, time to failure and the magnitude of lab earthquakes. Our work showed that repetitive stick- slip failure events during frictional sliding (the lab equivalent of earthquakes) are preceded by a cascade of micro-failure events that radiate energy in a manner that foretells unstable failure – manifest as laboratory MEQs. We documented a mapping between fracture properties and statistical attributes of elastic radiation. We extended existing works to geothermal reservoir scale and developed ML methods to determine reservoir permeability, fracture properties, and their evolution during geothermal energy production. An attractive feature of ML algorithms is their ability to handle big datasets and reveal patterns and correlations that may remain invisible to conventional analyses. Our work connected data from field, laboratory and intermediate scales to study permeability, stress, strength, fracture stiffness and geometry. At the field scale we used data from the Newberry Volcano field site, UtahFORGE, EGS Collab, and also the Bedretto underground research lab in Switzerland. These data sets are bridging the gap between the lab scale, theory, and reservoir scale. Our work produced plain language summaries to improve public understanding of DOE research. We also developed openly distributed ML and seismicity datasets for use by all researchers and we published connections between induced seismicity in geothermal areas and reservoir properties including permeability, fracture properties, and stress state. Our models are designed for the large data sets of induced seismicity typically associated with geothermal sites. We produced labeled event catalogs and used them on geothermal data to assess how ML can facilitate geothermal production and exploration. All datasets are available on the GDR Productivity: The project produced 32 publications in peer reviewed journals (two are in review). It supported the work of 6 PhD students, 40 conference presentations, 6 keynote talks at national meetings, and mentoring and professional development for 4 postdoctoral fellows.

15 GEOTHERMAL ENERGY↗

Improved Measurements of Galaxy Star Formation Stochasticity from the Intrinsic Scatter of Burst Indicators

Abstract Measurements of short-timescale star formation variations (i.e., “burstiness” or star formation stochasticity) are integral to our understanding of star formation feedback mechanisms and the assembly of stellar populations in galaxies. We expand upon the work of Broussard et al. by introducing a new analysis of galaxy star formation burstiness that accounts for variations in the Q sg = E B − V stars / E B − V gas distribution, a major confounding factor. We use Balmer decrements from the MOSFIRE Deep Evolution Field (MOSDEF) survey to measure Q sg , which we use to construct mock catalogs from the Santa Cruz Semi-Analytic Models and Mufasa cosmological hydrodynamical simulation based on 3D-HST, Fiber Multi-Object Spectrograph (FMOS)-COSMOS, and MOSDEF galaxies with H α detections. The results of the mock catalogs are compared against observations using the burst indicator η = log 10 ( SFR H α / SFR NUV ) , with the standard deviation of the η distribution indicating burstiness. We find decent agreement between mock and observed η distribution shapes; however, the FMOS-COSMOS and MOSDEF mocks show a systematically low median and scatter in η in comparison to the observations. This work also presents the novel approach of analytically deriving the relationship between the intrinsic scatter in η , scatter added by measurement uncertainties, and observed scatter, resulting in an intrinsic burstiness measurement of 0.06–0.16 dex.

79 ASTRONOMY AND ASTROPHYSICS↗

The physical properties of the absorption envelopes of two QSOs.

The wide absorption t roughs of certain resonance lines in the spectra of the QSOs PHL 5200 and RS 23 are produced by pure scattering and must therefore be compensated by an equal amount of emission. Analysis of the transfer of resonance-line radiation through a differentially expanding atmosphere shows that the absorption-emission profiles can be quantitatively understood on this basis.

Scargle, J. D.↗

Velocity profiles of the 2.1 micron H2 emission line in the Orion molecular cloud

Spectra of the H2 nu = 1-0 S(1) emission line in Orion, observed at various positions with a resolution of 20 km/s, are presented. The intrinsic full width at half-maximum of the line ranges from 18 to 58 km/s over the observed positions. Analysis of the line profiles shows that the emitting gas is probably expanding from a region near the BN and KL infrared sources at velocities typically of 40 km/s but as high as 100 km/s, and that it is associated with the source of the broad lines seen in the spectra of many other molecules. Strong constraints are placed on models of the physical processes responsible for the broad emission lines.

Nadeau, D.↗

Orbital Transfer Vehicle (OTV) engine study. Phase A: Extension

The current Phase A-Extension of the OTV engine study program aims to provide additional expander and staged combustion cycle data that will lead to design definition of the OTV engine. The proposed program effort seeks to optimize the expander cycle engine concept (consistent with identified OTV engine requirements), investigate the feasibility of kitting the staged combustion cycle engine to provide extended thrust operation, and conduct in-depth analysis of development risk, crew safety, and reliability for both cycles. Additional tasks address the costing of a 10/K thrust expander cycle engine and support of OTV systems study contractors.

Sobin, A. J.↗

A high-resolution radio image of a young supernova

A VLBI radio images of the bright supernova 1986J, which occurred in the galaxy NGC891 at a distance of about 12 Mpc, is presented. No detailed image of any supernova or remnant has been obtained before so soon after the explosion. The image shows a shell of emission with jetlike protrusions. Analysis of the images should advance understanding of the dynamics of the expanding debris, the dissipation of energy into the surrounding circumstellar medium, and the evolution of the supernova into the remnant.

Bartel, N.↗

Preliminary analyses of WL experiment No. 701, space environment effects on operating fiber optic systems

A brief overview of the analyses performed to date on WL Experiment-701 is presented. Four active digital fiber optic links were directly exposed to the space environment for a period of 2114 days. The links were situated aboard the Long Duration Exposure Facility (LDEF) with the cabled, single fiber windings atop an experimental tray containing instrumentation for exercising the experiment in orbit. Despite the unplanned and prolonged exposure to trapped and galactic radiation, wide temperature extremes, atomic oxygen interactions, and micro-meteorite and debris impacts, in most instances the optical data links performed well within the experimental limits. Analysis of the recorded orbital data clearly indicates that fiber optic applications in space will meet with success. Ongoing tests and analysis of the experiment at the Phillips Laboratory's Optoelectronics Laboratory will expand this premise, and establish the first known and extensive database of active fiber optic link performance during prolonged space exposure. WL Exp-701 was designed as a feasibility demonstration for fiber optic technology in space applications, and to study the performance of operating fiber systems exposed to space environmental factors such as galactic radiation, and wide temperature cycling. WL Exp-701 is widely acknowledged as a benchmark accomplishment that clearly demonstrates, for the first time, that fiber optic technology can be successfully used in a variety of space applications.

E W Taylor↗