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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 415 records · Page 23

Evaluation of Electrical Resistivity Tomography to Monitor the Transport of Past Releases Beneath Tank Farms

Underground storage tanks at the Hanford Site, in southeastern Washington State, hold radioactive waste generated from four decades of plutonium production. The 149 single-shell tanks and the 28 double-shell tanks have all exceeded their initial design life of approximately 25 years. At least 67 tanks are assumed to have leaked in the past, resulting in radioactive releases into the vadose zone. Gamma ray logging within dry monitoring wells is currently the primary method for tracking the migration of leaked tank waste through the vadose zone. While this approach provides an accurate assessment of radioactive contamination, that information is only provided near (within ~1m) the borehole, leaving most of the vadose zone unmonitored, particularly the important region directly beneath the tank. This report describes a numerical study that investigates the feasibility and performance of time-lapse 3D electrical resistivity tomography (ERT) for long-term monitoring of a hypothetical tank waste location and migration through the vadose zone. ERT is a method of remotely imaging the bulk electrical conductivity (EC) of the subsurface, which is significantly impacted by the presence of conductive solid and liquid tank waste. The release of liquid tank wastes increases subsurface fluid conductivity and saturation over time, creating a target to use time-lapse ERT for long-term monitoring. Although the presence of metallic infrastructure can cause ERT interference, recent advancements in ERT data processing enable the deleterious effects of buried metallic infrastructure (e.g. pipes, wellbore casings, tanks) to be removed to better determine the liquid tank waste migration over time. Three hypothetical realistic scenarios were simulated in the ERT evaluation. The first two scenarios assume the same leak amount and rate (i.e., between 1/1/1951 and 12/31/1951 at the rate of 347 m 3 per year) but different leaky tanks. Scenario 1 assumes leaks under tank B-102, which is located on the edge of the B-tank farm and surrounded by a few metallic infrastructure including cased pipes/wells/tanks. Scenario 2 assumes leaks under tank B-108, which is located near the center of the B-tank farm and surrounded by larger amount of metallic infrastructure than B-102. Scenario 3 assumes the same metallic infrastructure as B-102, with a more recent contaminant leak that was simulated to have occurred between 1/1/2018 and 12/31/2023 at a rate of 1.89 m 3 per year. The leak time in Scenarios 1 and 2 corresponds to a historical overfill event in 1951 and Scenario 3 corresponds to a recent found tank leak in 2019. In each scenario, a “true” bulk EC model vs. time reflecting contaminant migration was generated. ERT data was simulated from these “true” bulk EC models and a time-lapse ERT inversion produced “imaged” bulk EC vs. time. Three electrode configurations in two, four and eight boreholes surrounding the leak tank were used in the ERT simulations in each scenario. These borehole configurations were considered logistically feasible and cost-effective for monitoring. The hypothetical ERT boreholes are assumed to have non-metallic casing. By comparing the “imaged” bulk EC with the “true” bulk EC, it was demonstrated that the three configurations of wells used (two, four, and eight wells) were able to successfully monitor the migration of tank leaks through the vadose zone, with bulk EC resolution increasing with the number of down borehole ERT arrays for all scenarios. Therefore, the use of eight boreholes to perform ERT monitoring beneath the tanks provided the best spatiotemporal information.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

HTESP (High-throughput electronic structure package): A package for high-throughput ab initio calculations

High-throughput ab initio calculations are the indispensable parts of data-driven discovery of new materials with desirable properties, as reflected in the establishment of several online material databases. The accumulation of extensive theoretical data through computations enables data-driven discovery by constructing machine learning and artificial intelligence models to predict novel compounds and forecast their properties. Efficient usage and extraction of data from these existing online material databases can accelerate the next stage materials discovery that targets different and more advanced properties, such as electron–phonon coupling for phonon-mediated superconductivity. However, extracting data from these databases, generating tailored input files for different ab initio calculations, performing such calculations, and analyzing new results can be demanding tasks. Here, in this work, we introduce a software package named “HTESP” (High-Throughput Electronic Structure Package) written in Python and Bash languages, which automates the entire workflow including data extraction, input file generation, calculation submission, result collection and plotting. Our HTESP will help speed up future computational materials discovery processes.

36 MATERIALS SCIENCE↗

Ionothermally Synthesized Nanoporous Ti 0.95 W 0.05 Nb 2 O 7 : a Novel Anode Material for High-Performance Lithium-Ion Batteries

Although TiNb 2 O 7 is regarded as a fast-rechargeable lithium-ion battery (LIB) anode material, the intrinsic poor electrochemical kinetics of TiNb 2 O 7 still dramatically impedes its development. Herein, an ionothermal synthesis-assisted doping strategy is proposed for the preparation of a new W 6+ -doped TiNb 2 O 7 material (Ti 0.95 W 0.05 Nb 2 O 7 ) with nanoporous structure (denoted as NPTWNO). The improved Li + diffusion coefficient of NPTWNO suggests that the ionic-liquid-templated nanoporous architecture improves the Li+ diffusion kinetics. The density functional theory computational study reveals that the doped W 6+ successfully boosts the electronic conductivity due to the narrowed conduction-valance bandgap resulted from charge redistribution, which is reflected by the electrochemical impedance spectroscopy data. With the simultaneously enhanced Li+ diffusivity and electronic conductivity, NPTWNO achieves fast-rechargeability in LIBs. So this work indicates the potential of ionothermal synthesis-assisted doping strategy on energy storage materials and offers NPTWNO material with promising electrochemical performance.

25 ENERGY STORAGE↗

Erratum: Monoenergetic photon-induced fission cross-section ratio measurements for U 235 , U 238 , and Pu 239 from 9.0 to 17.0 MeV

In this erratum we report a correction to the previously published photofission cross-section ratio data. The actinide fission-chamber foils utilized in this work were extensively characterized during a new campaign using α- and γ-ray spectroscopy, and 2π alpha counting. These three techniques agreed, resulting in an improved accuracy of the fission-chamber foil masses used in the original experiment. The foil masses measured by α spectroscopy are detailed in Table I. All foils were counted on the same α spectrometer, using an identical geometry, which reduces the systematic uncertainty in the calculated mass ratios since the α spectrometer efficiency cancels out in the ratio. This results in a relative uncertainty on the mass ratio of 1.0% for 235 U/ 238 U, 0.62% for 239 Pu/ 235 U, and 1.1% for 239 Pu/ 238 U. The published cross-section ratio data are re-calculated to reflect the updated target masses and uncertainties. The new mass values cause a 2.40% decrease for the σ( 235 U(γ, f)/ 238 U(γ, f)) ratio, a 5.10% decrease for the σ( 235 U(γ, f)/ 239 Pu(γ, f)) ratio, and a 2.77% decrease for the σ( 238 U(γ, f)/ 239 Pu(γ, f)) ratio. The updated cross-section ratios are presented in Tables II, III, and IV, which are corrected versions of Tables III, IV, and V in Ref. [1]

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Crystal structure and magnetic properties of the layered van der Waals compound VB r 3

Single crystals of the layered, van der Waals compound VBr 3 were synthesized by a vapor transport technique, and characterized by single-crystal x-ray diffraction, temperature- and field-dependent magnetization, and temperature-dependent specific-heat measurements. VBr 3 has a honeycomb-based BiI 3 -type structure with space group $R$-3 (no. 148) at 100 K, analogous to the structure of other honeycomb trihalides. Structural stacking faults were observed as evidenced by the streaking of reflections along $c*$ in the diffraction data. VBr 3 goes through a structural phase transition at 90.4 K and a subsequent antiferromagnetic phase transition at 26.5 K, below which the magnetic moments are primarily aligned along the $c$-axis.

36 MATERIALS SCIENCE↗

Kensor: Coordinated Intelligence from Co-Located Sensors

Internet of Things (IoT) is becoming more pervasive in many installations, including homes, manufacturing plants, and industrial facilities of all kinds. The data that IoT produces is a reflection of usual behavior such as daily routines and scheduled tasks, but also from unexpected behavior due to unintentional or undesirable abnormalities. Here, we focus on achieving coordinated intelligence about normal and abnormal phenomena from multiple sensors that are geographically colocated in close proximity, monitoring and controlling a set of co-located devices. Given a set of co-located sensors, we seek an intelligent approach that would automatically determine the “normal” patterns of behaviors among the correlated sensors. After normal behavior is extracted, later monitoring should detect any deviant variations over time. An example application is an entry monitoring and alert system for facilities such as nuclear reactors, where badge readers, door locks, lights, weight trackers and other co-located sensors at the entry point are collectively tracked. To address this problem, we identify the possible solution approach that can be used to solve its different variants. The implemented model is developed as a combination of rules and Markov Chain methods.

Kotevska, Olivera↗

Comparing Exciton-Polariton Couplings in Two-Dimensional MoS2 Cavities

Exciton-polaritons (EPs) are an emerging approach to achieve strong light-matter coupling and robust quantum phenomena, with application to areas such as photonic neuromorphic computing for instance reservoir computing. 2D transition metal dichalcogenides (TMDs) are promising candidates to host EPs due to their potential for strong coupling as evidenced by large Rabi splitting energies, which in the case of few-layer MoS2 has been demonstrated to reach 293 meV when coupled to the C exciton, placing it in the ultrastrong coupling regime, at room temperature. Here we examine how the Rabi splitting of CVD-grown monolayer MoS2 in a cavity can be optimized by tuning two variables: cavity geometry (thickness of silver and dielectric spacers) and the targeted exciton for coupling (A at about 1.9 eV, B at about 2.06 eV, or C at about 2.9 eV). With the cavity geometry, there is a tradeoff between optical field confinement and transmission. With the targeted exciton, there may be a tradeoff between Rabi splitting and lifetime. Transfer matrix simulations are used to inform how thick the cavity layers need to be, and at what angle measurements should be performed, to achieve Rabi splitting at a certain exciton energy. Experimentally, the Rabi splitting is measured by placing the cavity at a specified angle and measuring the optical reflectance and transmittance. By fitting the data, we find Rabi splittings of 124 meV, 194 meV, and 288 meV for the A, B, and C excitons, respectively, which places them in the strong, and on the edge of the ultrastrong, coupling regime.

exciton-polaritons↗

Growth Kinetics and Microstructure of PbTe Films Produced on Si and BaF{sub 2} Substrates by a Modified Hot-Wall Method

Lead telluride films have been grown on Si (100) and BaF{sub 2} (100) substrates by a modified hot-wall method using a graphite reaction chamber. According to X-ray diffraction, X-ray microanalysis, and scanning electron microscopy characterization results, the average growth rate of PbTe films having compositions within the homogeneity range of lead telluride increases with increasing lead vapor partial pressure and decreases with increasing tellurium vapor partial pressure, independent of the nature of the substrate. The rate of PbTe film growth has been shown to be maximal in the initial stage of the process and decrease monotonically over time, independent of the nature of the substrate. Independent of the growth time, the average growth rate of the PbTe films on the Si (100) substrates is considerably higher than that on the BaF{sub 2} (100) substrates. Reflection high-energy electron diffraction data indicate that the texture of the PbTe films on Si (100) corresponds to the substrate orientation and that the misorientation angle of the mosaic blocks does not exceed 20°. On the BaF{sub 2} (100) substrates, we observe epitaxial PbTe film growth with the orientation relationship (100), [011] PbTe ║ (100), [011] BaF{sub 2}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Terms, Trends, and Insights on PV Project Finance in the United States, 2018

This brief is a compilation of data points and market insights that reflect the state of the project finance market for solar photovoltaic (PV) assets in the United States as of the third quarter of 2018. This information can generally be used as a simplified benchmark of the costs associated with securing financing for solar PV as well as the cost of the financing itself (i.e., the cost of capital). This work represents the third DOE sponsored effort to benchmark financing costs across the residential, commercial, and utility-scale PV markets, as part of its larger effort to benchmark the components of PV system costs. capital). This work represents the third DOE sponsored effort to benchmark financing costs across the residential, commercial, and utility-scale PV markets, as part of its larger effort to benchmark the components of PV system costs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Physics-Informed Machine Learning for Epidemiological Models

One challenge of using compartmental SEIR models for public health planning is the difficulty in manually tuning parameters to capture behavior reflected in the real-world data. This team conducted initial, exploratory analysis of a novel technique to use physics-informed machine learning tools to rapidly develop data-driven models for physical systems. This machine learning approach may be used to perform data assimilation of compartment models which account for unknown interactions between geospatial domains (i.e. diffusion processes coupling across neighborhoods/counties/states/etc.). Results presented here are early, proof-of-concept ideas that demonstrate initial success in using a physically informed neural network (PINN) model to assimilate data in a compartmental epidemiology model. The results demonstrate initial success and warrant further research and development.

60 APPLIED LIFE SCIENCES↗

Air Blast Meshing & Pressure Mapping [Slides]

Project Goals: Mesh sensitivity study – Determine at what mesh density results converge; Build a model that reflects theoretical solutions. Map experimental pressure data onto the surface of the cone – Track rigid body motion. Stresses in conic Body – Observe how the model reacts to stresses different than the ones tested in the mesh sensitivity study.

42 ENGINEERING↗

An Assessment of Technical Hydropower Potential at Non-Powered Dams in the United States

Historically, dams have been constructed for a variety of purposes, such as providing a more secure and reliable water supply, mitigating impacts from variations in river flow, allowing continuous navigability, and harnessing mechanical power. A relatively small portion of dams have been designed to store or regulate flows for the purpose of generating electricity (roughly 3% of nationally inventoried dams in the US and 17% of the dams included in the World Register of Dams). The remaining population of existing non-powered dams (NPDs) presents both an opportunity to generate renewable energy and a need to modernize aging infrastructure. This report describes an assessment of more than 2,600 NPDs in the US that have a collective potential of nearly 4 GW in new power capacity. Previous national-scale assessments were aimed at evaluating the theoretical maximum power potential at existing dams in the United States. These estimates were based on the best available information at the time for water availability, hydraulic head, and representative regional capacity factors. This study revisits a subset of 3,299 dams identified in the most recent theoretical resource assessment and uses more detailed and updated hydrologic data to produce estimates of technical potential. These improvements in data enable estimates that more realistically reflect what is physically possible given simple assumptions about the existing structure and constraints on flow and head (Figure 1).

13 HYDRO ENERGY↗

Star Formation in the Local Universe from the CALIFA Sample. II. Activation and Quenching Mechanisms in Bulges, Bars, and Disks

We estimate the current extinction-corrected Hα star formation rate (SFR) of the different morphological components that shape galaxies (bulges, bars, and disks). We use a multicomponent photometric decomposition based on Sloan Digital Sky Survey imaging to Calar Alto Legacy Integral Field Area Integral Field Spectroscopy (IFS) datacubes for a sample of 219 galaxies. This analysis reveals an enhancement of the central SFR and specific SFR (sSFR = SFR/M {sub ⋆}) in barred galaxies. Along the main sequence, we find that more massive galaxies in total have undergone efficient suppression (quenching) of their star formation, in agreement with many studies. We discover that more massive disks have had their star formation quenched as well. We evaluate which mechanisms might be responsible for this quenching process. The presence of type 2 AGNs plays a role at damping the sSFR in bulges and less efficiently in disks. Also, the decrease in the sSFR of the disk component becomes more noticeable for stellar masses around 10{sup 10.5} M{sub ⊙}; for bulges, it is already present at ∼10{sup 9.5} M{sub ⊙}. The analysis of the line-of-sight stellar velocity dispersions (σ) for the bulge component and of the corresponding Faber–Jackson relation shows that AGNs tend to have slightly higher σ values than star-forming galaxies for the same mass. Finally, the impact of environment is evaluated by means of the projected galaxy density, Σ{sub 5}. We find that the SFR of both bulges and disks decreases in intermediate- to high-density environments. This work reflects the potential of combining IFS data with 2D multicomponent decompositions to shed light on the processes that regulate the SFR.

79 ASTRONOMY AND ASTROPHYSICS↗

The stable carbon isotope fractionation of methanogenesis products at complete carbon consumption

The stable carbon isotope signature (δ 13 C) of methane (CH 4 ) is used to discriminate between biological, thermogenic, and abiotic sources. Methanogens, or methane producing archaea, inhabit a broad range of chemical conditions. Many of these environments are replete in dissolved inorganic carbon (DIC), causing isotopically depleted δ 13 C biogenic CH 4 . However, some extreme environments inhabited by methanogens, such as serpentinising systems, exhibit low carbon dioxide (CO 2 ) availability, replete H 2 , and isotopically enriched δ 13 C CH 4 that is outside the known biogenic range. We measured the δ 13 C of CO 2 , biomass, lipids, and CH 4 during hydrogenotrophic methanogenesis under hydrogen replete conditions with a limited carbon pool to investigate carbon isotope dynamics at complete DIC consumption. As theory predicts, we found that the final, accumulated methane δ 13 C values closely reflect the δ 13 C of the initial DIC supply, and that methane is more 13 C enriched than biomass and lipids. This provides the first experimental evidence that methanogens can achieve complete carbon consumption and thus can produce accumulated CH 4 products that isotopically reflect the initial CO 2 . These data show that the range of possible δ 13 C values from biogenic methane needs to be expanded for natural environments impacted by extreme carbon limitation.

biomass↗

Terms, Trends, and Insights: PV Project Finance in the United States, 2017

This brief is a compilation of data points and market insights that reflect the state of the project finance market for solar photovoltaic (PV) assets in the United States as of the third quarter of 2017. This information can generally be used as a simplified benchmark of the costs associated with securing financing for solar PV as well as the cost of the financing itself (i.e., the cost of capital). This work represents the second DOE sponsored effort to benchmark financing costs across the residential, commercial, and utility-scale PV markets, as part of its larger effort to benchmark the components of PV system costs.

14 SOLAR ENERGY↗

Recommendations for Best Practices for Data Preservation and Open Science in HEP

These recommendations are the result of reflections by scientists and experts who are, or have been, involved in the preservation of high-energy physics data. The work has been done under the umbrella of the Data Lifecycle panel of the International Committee of Future Accelerators (ICFA), drawing on the expertise of a wide range of stakeholders. A key indicator of success in the data preservation efforts is the long-term usability of the data. Experience shows that achieving this requires providing a rich set of information in various forms, which can only be effectively collected and preserved during the period of active data use. The recommendations are intended to be actionable by the indicated actors and specific to the particle physics domain. They cover a wide range of actions, many of which are interdependent. These dependencies are indicated within the recommendations and can be used as a road map to guide implementation efforts. These recommendations are best accessed and viewed through the web application, see https://icfa-data-best-practices.app.cern.ch/

Campana, Simone [CERN]↗

2nd and 3rd order spectral energy corrections with penumbral de-blurring methodology for opacity platform used on the National Ignition Facility

The Opacity Spectrometer (OpSpec) used in the National Ignition Facility’s opacity experiments measures x-ray spectra from 0.9 to 2.1 keV from the different experimental regions: the backlight source, emission source, and the absorption region with the transmission calculated from these regions. The OpSpec designs have gone through several iterations to help improve the signal-to-noise ratio, remove alternate crystal plane reflections, and improve spectral resolution, which helps to increase the validity of the opacity measurements. However, the source spans well outside the current working spectral range, and higher-order reflections are intrinsic to the crystal, which increases the overall signal seen in the data regions. The recorded data are the convolution of 1st order transmission, higher-order reflections, and the penumbra blurring. In conclusion, this work represents the details for deconvolving the 2nd and 3rd order spectral energy corrections with a penumbral de-blurring to correct the relative measurement of x-ray intensity of different spectral energies and further analysis of datasets relevant to the opacity experiments.

47 OTHER INSTRUMENTATION↗

Proximal remote sensing: an essential tool for bridging the gap between high‐resolution ecosystem monitoring and global ecology

Summary A new proliferation of optical instruments that can be attached to towers over or within ecosystems, or ‘proximal’ remote sensing, enables a comprehensive characterization of terrestrial ecosystem structure, function, and fluxes of energy, water, and carbon. Proximal remote sensing can bridge the gap between individual plants, site‐level eddy‐covariance fluxes, and airborne and spaceborne remote sensing by providing continuous data at a high‐spatiotemporal resolution. Here, we review recent advances in proximal remote sensing for improving our mechanistic understanding of plant and ecosystem processes, model development, and validation of current and upcoming satellite missions. We provide current best practices for data availability and metadata for proximal remote sensing: spectral reflectance, solar‐induced fluorescence, thermal infrared radiation, microwave backscatter, and LiDAR. Our paper outlines the steps necessary for making these data streams more widespread, accessible, interoperable, and information‐rich, enabling us to address key ecological questions unanswerable from space‐based observations alone and, ultimately, to demonstrate the feasibility of these technologies to address critical questions in local and global ecology.

Plant Sciences↗