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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Direct and Indirect Reduction of Cr(VI) by Fermentative Fe(III)-Reducing Cellulomonas sp. Strain Cellu-2a

Hexavalent chromium (Cr(VI)) is recognized to be carcinogenic and toxic and registered as a contaminant in many drinking water regulations. It occurs naturally and is also produced by industrial processes. The reduction of Cr(VI) to Cr(III) has been a central topic for chromium remediation since Cr(III) is less toxic and less mobile. In this study, fermentative Fe(III)-reducing bacterial strains (Cellu-2a, Cellu-5a, and Cellu-5b) were isolated from a groundwater sample and were phylogenetically related to species of Cellulomonas by 16S rRNA gene analysis. One selected strain, Cellu-2a showed its capacity of reduction of both soluble iron (ferric citrate) and solid iron (hydrous ferric oxide, HFO), as well as aqueous Cr(VI). The strain Cellu-2a was able to reduce 15 μM Cr(VI) directly with glucose or sucrose as a sole carbon source under the anaerobic condition and indirectly with one of the substrates and HFO in the same incubations. The heterogeneous reduction of Cr(VI) by the surface-associated reduced iron from HFO by Cellu-2a likely assisted the Cr(VI) reduction. Fermentative features such as large-scale cell growth may impose advantages on the application of bacterial Cr(VI) reduction over anaerobic respiratory reduction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Coordination Chemistry in the Structural and Functional Exploration of Actinide-Based Metal-Organic Frameworks

The coordination chemistry between inorganic and organic species can be optimally exemplified by metal–organic frameworks (MOFs), whose structures and functionalities can be rationally designed from these highly tunable building blocks. The high porosity, stability, and versatile functionalities of MOFs have attracted wide-spread attention from energy-related research and pollution remediation to biomedical applications. A unique and underexplored subset of these materials are MOFs based on actinide nodes; these MOFs have distinguished themselves as a unique platform for investigating the versatile oxidation states, reactivity, and coordination chemistry of actinides. Herein, we will focus on the rational design and synthesis of actinide-based MOFs under the general guidelines of coordination chemistry for their structural and functional explorations. The dimensionality, topology, and structures of actinide-based MOFs can be controlled by selecting pre-designed building blocks of actinide-based nodes and organic linkers with certain desired coordination geometries and functionalities. Furthermore, these unique actinide-based MOFs have shown promise for applications in nuclear waste mitigation, pollution control, and catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Cardinality-Regularized Hawkes-Granger Model

We propose a new sparse Granger-causal learning framework for temporal event data. We focus on a specific class of point processes called the Hawkes process. We begin by pointing out that most of the existing sparse causal learning algorithms for the Hawkes process suffer from a singularity in maximum likelihood estimation. As a result, their sparse solutions can appear only as numerical artifacts. In this paper, we propose a mathematically well-defined sparse causal learning framework based on a cardinality-regularized Hawkes process, which remedies the pathological issues of existing approaches. We leverage the proposed algorithm for the task of instance-wise causal event analysis, where sparsity plays a critical role. We validate the proposed framework with two real use-cases, one from the power grid and the other from the cloud data center management domain.

Ide, Tsuyoshi↗
DOE OSTI2022

Combining Particle Tracking with Electromagnetic Radiation Showers: Merging GPT and Geant4 with Visualization

Field emitted electrons can seriously affect the operation of high-field, high-duty factor electron accelerators. Accelerated field emission can result in high average power beams which can radiation damage beamline components. In addition, localized losses generate thermal hot spots whose outgassing degrades the ultra-high vacuum required in photoinjectors and cryomodules. However, despite their importance, the effects of field emission are rarely included in the design and engineering of electron injectors. This work attempts to remedy this situation by combining two well-known and well-documented programs, GPT and Geant4, to track electrons and their losses in an injector beamline. This paper describes a system of programs which simulates electron paths and losses along the beamline. In addition, the tracking results can be zoomed and panned along and about the beampipe envelope using an open-source 3D CAD program. The scattering albedo calculations of the combined program, GPT-Geant4, are shown to be in good agreement with the literature albedos. The paper concludes with a dark current simulation for the LCLS-II injector from the cathode to the collimator at 1.5 m from the cathode.

Dowell, David H.↗
DOE OSTI2025

A LENS on DUNE-PRISM: Characterizing a Neutrino Beam with Off-Axis Measurements

Upcoming precision long-baseline neutrino oscillation experiments will be severely limited by the large systematic uncertainties associated with neutrino flux predictions and neutrino--nucleus cross sections. A promising remedy is the PRISM (Precision Reaction Independent Spectrum Measurement) technique, whereby the near detector measures the neutrino spectrum at different angles with respect to the beam axis. These measurements are then linearly combined into a prediction of the oscillated neutrino flux at the far detector. This prediction is data-driven, but still dependent on some theoretical knowledge about the neutrino flux. In this paper, we study to what extent off-axis measurements themselves can be used to directly constrain neutrino flux models. In particular, we use them to extract separately the fluxes and spectra of different meson species in the beam. We call this measurement LENS (Lateral Extraction of Neutrino Spectra). Second, we demonstrate how the thus improved flux model helps to further constrain the far detector flux prediction, thereby ultimately improving oscillation measurements.

FOS: Physical sciences↗
DOE OSTI2025

Orphaned oil and gas well methane emission rates quantified using Gaussian plume inversions of ambient observations

Abstract. Annually, ∼ 3.6 million abandoned oil and gas wells in the US emit a combined ∼ 2.6 Tg methane (CH4), adversely affecting climate and regional air quality. However, these estimates depend on emission factors derived from measuring subpopulations of wells that vary by orders of magnitude due to very limited field sampling and poorly characterized distributions. Currently, US protocols to remediate orphaned wells lacks standardized quantification methods needed to both prioritize plugging and account for emission reductions. Therefore, sensitive, reliable, affordable, and scalable CH4 flux quantification methods are needed. We report the use of a simple Gaussian plume method where the dispersion parameters are constrained by in situ ground measurements of CH4 concentration at four locations 7.5–49 m downwind of the orphan well as well as local winds to estimate the leak rate from an orphan well. We derive a flux of 10.53 ± 1.16 kg CH4 h−1 during a venting procedure in April 2023 that agrees with the directly measured volumetric flow rate of 9.00 ± 0.25 kg CH4 h−1. This is 71 % greater than the 5.3 kg CH4 h−1 flux measured 7 months prior. Additionally, we discovered a secondary leak through the surface casing inferred as 0.43–0.67 kg CH4 h−1 both by our ground Gaussian analysis and by transecting the plume with an uncrewed aerial system (UAS). We show that in situ determination of the dispersion parameters used in our Gaussian inversions allows us to measure methane emissions to 15 % accuracy, significantly reducing errors when compared to the standard practice of assuming stability class. Our results help develop simpler methods and protocols for robust orphan well emission quantification that can be used for reporting.

Follansbee, Emily↗
DOE OSTI2022

Checkerboard patterns in E3SMv2 and E3SM-MMFv2

Abstract. An unphysical checkerboard pattern is identified in E3SMv2 and E3SM-MMF that is detectable across a wide range of timescales, from instantaneous snapshots to multi-year averages. A detection method is developed to quantify characteristics of the checkerboard signal by cataloguing all possible configurations of the eight adjacent neighbors for each cell on the model's cubed sphere grid using daily mean data. The checkerboard pattern is only found in cloud-related quantities, such as precipitation and liquid water path. Instances of pure and partial checkerboard are found to occur more often in E3SMv2 and E3SM-MMF when compared to satellite data regridded to the model grid. Continuous periods of partial checkerboard state are found to be more persistent in both models compared to satellite data, with E3SM-MMF exhibiting more persistence than E3SMv2. The checkerboard signal in E3SMv2 is found to be a direct consequence of the recently added deep convective trigger condition based on dynamically generated CAPE (DCAPE). In E3SM-MMF the checkerboard signal is found to be associated with the “trapping” of cloud-scale fluctuations within the embedded cloud-resolving model. Solutions to remedy this issue are discussed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Reactive transport modeling for supporting climate resilience at groundwater contamination sites

Abstract. Climate resilience is an emerging issue at contaminated sites and hazardous waste sites, since projected climate shifts (e.g., increased/decreased precipitation) and extreme events (e.g., flooding, drought) could affect ongoing remediation or closure strategies. In this study, we develop a reactive transport model (Amanzi) for radionuclides (uranium, tritium, and others) and evaluate how different scenarios under climate change will influence the contaminant plume conditions and groundwater well concentrations. We demonstrate our approach using a two-dimensional (2D) reactive transport model for the Savannah River Site F-Area, including mineral reaction and sorption processes. Different recharge scenarios are considered by perturbing the infiltration rate from the base case as well as considering cap-failure and climate projection scenarios. We also evaluate the uranium and nitrate concentration ratios between scenarios and the base case to isolate the sorption effects with changing recharge rates. The modeling results indicate that the competing effects of dilution and remobilization significantly influence pH, thus changing the sorption of uranium. At the maximum concentration on the breakthrough curve, higher aqueous uranium concentration implies that sorption is reduced with lower pH due to remobilization. To better evaluate the climate change impacts in the future, we develop the workflow to include the downscaled CMIP5 (Coupled Model Intercomparison Project) climate projection data in the reactive transport model and evaluate how residual contamination evolves through 2100 under four climate Representative Concentration Pathway (RCP) scenarios. The integration of climate modeling data and hydrogeochemistry models enables us to quantify the climate change impacts, assess which impacts need to be planned for, and therefore assist climate resiliency efforts and help guide site management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Piezocatalytic ZnS:Mn 2+ Nanocrystals for Enhanced Organic Dye Degradation

Piezocatalysis, an emerging approach that harnesses mechanical energy to drive chemical reactions, has garnered significant attention due to its potential applications in diverse fields, particularly in environmental remediation. Its broader application, however, is often hindered by the low efficiency of existing piezocatalytic materials. Here, we report the synthesis of Mn 2+ -doped ZnS nanocrystals with improved piezoelectric properties using an emulsion-based colloidal assembly technique. Through well-controlled Mn 2+ doping, these nanocrystals demonstrate high piezocatalytic activity for degrading organic dyes under ultrasonic vibration. The optimal performance is achieved with 3% Mn 2+ doping, outperforming many existing piezocatalysts. Mechanistic studies reveal the generation of reactive oxygen species as the primary driving force for degradation. Notably, pre-excitation with UV light further boosts the piezocatalytic efficiency of these metal ion-doped ZnS nanocrystals by filling electron trap states, leading to improved overall performance. This research paves the way for developing high-performance piezocatalysts, expanding the potential of piezocatalysis for a wide range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

High Contrast Pattern Projection To Enable Background Oriented Schlieren Based Air Leak Detection Through Any Interior Or Exterior Building Surface

Air leakage in buildings wastes an estimated 4 quads of energy per year in the United States. Finding and sealing leakage sites is critical in existing buildings. Previous work has shown that background oriented Schlieren (BOS) imaging can be used to visualize air leakage but requires the leak to exit through a high contrast surface like a brick wall. To remedy this, different techniques of projecting various high contrast patterns on low contrast building surfaces like interior gypsum walls or vinyl siding were investigated. For each technique, the background quality was measured and compared to an ideal printed random dot background. The background quality metrics were correlated with the measured visualization metrics to understand which metrics are most important for maximizing air leak visualization performance. In this work, leakage visualization performance is presented for these various projected backgrounds with an aim to expand the building surfaces suitable for the BOS leak detector.

Jatana, Gurneesh [ORNL] (ORCID:0000000288903225)↗
NASA NTRS1967

Camera lens adapter magnifies image

Polaroid Land camera with an illuminated 7-power magnifier adapted to the lens, photographs weld flaws. The flaws are located by inspection with a 10-power magnifying glass and then photographed with this device, thus providing immediate pictorial data for use in remedial procedures.

Moffitt, F. L.↗
NASA NTRS1972

Development of a theory of the spectral reflectance of minerals, part 3

Significant refinements were made in the theory of the diffuse reflectance of particulate media. The theory predicts the opposite trends of reflectance with particle size in regions of the spectrum in which the particles are semi-transparent and those in which they are opaque. Enhanced absorption caused by wave-optical effects of small surface asperities and edges was used to improve the theory. The same mechanism remedies the theory to account for the data in spectral regions of anomalous dispersion.

Aronson, J. R.↗
NASA NTRS1970

Research on rechargeable oxygen electrodes.

A research program is described which consisted of studying the effects of electrode cycling in very pure KOH solutions, with and without controlled additions of impurities, on oxide formation, oxygen evolution kinetics, oxygen reduction kinetics (including hydrogen peroxide formation), and changes in electrode structure. Bright platinum, platinized platinum, and Teflon-bonded platinum black electrodes were studied. Three main problem areas are identified: the buildup of a refractory anodic layer on prolonged cycling, which leads to a degradation of performance; the dissolution and subsequent deposition of dendritic platinum in the separator, leading to short-circuit ing and loss of electrocatalyst; and the disruptive effect of bubbling during gas evolution on charge. Each of these problem areas is analyzed, and remedial solutions are proposed.

Giner, J.↗
NASA NTRS1971

Survey of space escape/rescue/survivability capabilities.

Discussion of preventive or remedial systems to achieve safer space flight operations. Escape, rescue, and survival systems are defined by categories: on board, prepositioned aid, and earth-launched concepts. The survey considers separable escape or survival capsules; standby escape or rescue systems; and earth-launched manned and unmanned rescue systems. Reports covering such systems are listed, and the contents are classified as to scope of investigation, space mission, and design approach. Mission classes considered are earth orbit, lunar, and interplanetary. Results of the space escape, rescue, and survivability investigations are summarized in terms of system features and performance, including apparent voids or limitations in rescue capability. Recovery requirements and resources for space rescue are discussed.

Fleisig, R.↗
NASA NTRS1971

Concepts and system design of a space emergency re-entry vehicle.

Discussion of the spectrum of remedial concepts and realistic mission constraints. A vehicle design is presented which is offered as the 'best' solution among a number of alternative designs in terms of its cost effectiveness. The probability of the safe reentry and recovery of one to three stranded astronauts is 0.80. The vehicle is symmetrical and lenticular in shape, and exhibits a modest lift-to-drag ratio of 0.5, allowing it to reenter a two-skip trajectory with minimal gravity forces on the astronauts. Attitude control, voice and beacon communication, and impact attenuation are also provided. The vehicle could be delivered in a docked position on the Apollo Applications Program multiple docking adapter.

Huang, C. J.↗