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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

1 H chemical shift anisotropy: a high sensitivity solid-state NMR dynamics probe for surface studies?

We report dynamics play significant roles in chemistry and biochemistry-molecular motions impact both large- and small-scale chemical reactions in addition to biochemical processes. In many systems, including heterogeneous catalysts, the characterization of dynamics remains a challenge. The most common approaches involve the solid-state NMR measurement of anisotropic interactions, in particular 2 H quadrupolar coupling and 1 H–X dipolar coupling, which generally require isotope enrichment. Due to the high sensitivity of 1 H NMR, 1 H chemical shift anisotropy (CSA) is a particularly enticing, and underexplored, dynamics probe. We carried out 1 H CSA and 1 H– 13 C dipolar coupling measurements in a series of model supported complexes to understand how 1 H CSA can be leveraged to gain dynamic information for heterogeneous catalysts. Mathematical descriptions are given for the dynamic averaging of the CSA tensor, and its dependence on orientation and asymmetry. The variability of the orientation of the tensor in the molecular frame, in addition to its magnitude and asymmetry, negatively impacts attempts to extract quantitative dynamic information. Nevertheless, 1 H CSA measurements can reveal useful qualitative insights into the motions of a particularly dilute site, such as from a surface species.

1H chemical shift anisotropy↗
DOE OSTI2023

SLAC microresonator RF(SMuRF) electronics: A tone-tracking readout system for superconducting microwave resonator arrays

Here, we describe the newest generation of the SLAC Microresonator RF (SMuRF) electronics, a warm digital control and readout system for microwave-frequency resonator-based cryogenic detector and multiplexer systems, such as microwave superconducting quantum interference device multiplexers (μmux) or microwave kinetic inductance detectors. Ultra-sensitive measurements in particle physics and astronomy increasingly rely on large arrays of cryogenic sensors, which in turn necessitate highly multiplexed readout and accompanying room-temperature electronics. Microwave-frequency resonators are a popular tool for cryogenic multiplexing, with the potential to multiplex thousands of detector channels on one readout line. The SMuRF system provides the capability for reading out up to 3328 channels across a 4–8 GHz bandwidth. Notably, the SMuRF system is unique in its implementation of a closed-loop tone-tracking algorithm that minimizes RF power transmitted to the cold amplifier, substantially relaxing system linearity requirements and effective noise from intermodulation products. Here, we present a description of the hardware, firmware, and software systems of the SMuRF electronics, comparing achieved performance with science-driven design requirements. In particular, we focus on the case of large-channel-count, low-bandwidth applications, but the system has been easily reconfigured for high-bandwidth applications. The system described here has been successfully deployed in lab settings and field sites around the world and is baselined for use on upcoming large-scale observatories.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Constraining Bedrock Groundwater Residence Times in a Mountain System with Environmental Tracer Observations and Bayesian Uncertainty Quantification: Modeling and Data Package

Groundwater residence times provide fundamental descriptions of hydrologic dynamics and mixing processes in mountainous watersheds. Yet, few observational datasets that can constrain groundwater residence times over broad timescales are available in high elevation mountain systems. Here we present field observations from May 2021 of dissolved noble gases (He, Ne, Ar, Kr, and Xe), Chloroflourcarbons (CFCs), Sulfurhexaflouride (SF6), and tritium (3H) sampled from the Pumphouse Lower Montane study site (wells PLM1, PLM6, and PLM7) within the East River Watershed, Colorado. The presented noble gas (PLM_noblegas_2021.csv) and environmental tracer (PLM_tracers_2021.csv) observation datasets, along with the associated modeling scripts, aide in quantifying groundwater residence times and recharge conditions in a high elevation mountain system. Furthermore, the modeling scripts quantify groundwater residence time and noble gas recharge condition uncertainties using a novel Markov-chain Monte Carlo approach. All data modeling scripts are written in the Python code.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Shrub Expansion Simulations at Trail Valley Creek Tundra site using E3SM Land Model (ELM) Arctic-focused Version

The warming of the Arctic is causing substantial compositional, structural, and functional changes in tundra vegetation including shrub and densification in parts of the Arctic. Assessing the impact of these changes in vegetation composition on the Arctic’s carbon and energy budgets is important to constrain projected local and global surface-atmosphere exchanges. We conduct a sensitivity analysis of the projected surface energy fluxes, soil carbon pools, and carbon dioxide fluxes (net ecosystem exchange, gross primary production, and ecosystem respiration) between present day and 2100 to different shrub expansion rates and air temperature increases under future emission scenarios (intermediate – RCP4.5, and high – RCP8.5) using the Arctic-focused version of the Energy Exascale Earth System Model (E3SM) Land Model (ELM). We focus on Trail Valley Creek (TVC), a mineral upland tundra site located in the western Canadian Arctic, which is experiencing tall shrub densification and expansion. In this study, we run TVC under two different warming scenarios RCP4.5 and RCP 8.5 and simulate different shrubification rates projected until year 2100. In this repository, we include all the forcing, input, parameters, and output data corresponding to all the simulations performed. flmd.csv includes a detailed description of the datasets files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Universal Utility Data Exchange (UUDEX) Phase 4 Demonstration Environment and Results

This report provides an overview of the environment used by the Pacific Northwest National Laboratory (PNNL) in the Universal Utility Data Exchange (UUDEX) Phase 4 demonstration, and description of the demonstrations performed in the environment. The UUDX Phase 4 demonstration took place on March 31, 2021, with representatives from PNNL and the two project sub-contractors, OATI and MITRE, performing the demonstration for members of the UUDEX Industry Advisory Board (IAB). The demonstration tasks were based on the previous Phase 3 demonstration but conducted in a multi-site environment. Additional demonstrations showed features that were developed since the Phase 3 demonstration. The development environment was constructed by PNNL programming staff using the previously developed UUDEX Functional Design, Protocol Design, and Workflow Design documents as a starting point. The environment was augmented with subject creation management and access control security data structures and workflows, and data exchange structure documents developed as part of Phase 3 and Phase 4.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

System Health and Status Reporting is Used to Improve Infrastructure Systems at the Hanford Site - 20449

Reliable physical infrastructure systems are vital to completing the clean-up mission and the start-up and commissioning of new nuclear waste processing facilities at the Hanford Site. Key infrastructure systems at Hanford include water, sewer, and electrical utilities, roads, telecommunications/network systems, and fire systems. All of the infrastructure systems are non-nuclear, General Service systems that are being maintained under formal engineering configuration control and none are specifically credited in any documented safety analysis (DSA). Starting in calendar year 2017, the Hanford Site's infrastructure and services contractor started producing system health and status reports for a total of 15 critical infrastructure systems as means to get a better understanding of each system's health and how it could be improved to ensure better and more reliable service delivery. As the reporting, tracking, and use of the metrics has matured, the number of systems for which reports are being developed has been expanded to a total of 23. Each of the critical infrastructure systems are assigned primary and alternate design authorities that complete qualifications on each assigned system. The design authorities actively manage and maintain configuration control on each of their systems and track metrics associated with availability, maintenance (corrective and preventive), and configuration of the technical baseline. The metrics are based on the principles established in Chapter V of DOE O 420.1C, Facility Safety, [1] and have been tailored as appropriate to each of the key infrastructure systems. An overall assessment of system health is performed and documented on a routine basis (e.g., quarterly). Included in this documentation is a quantitative score for each of the metrics (i.e., availability, maintenance, configuration management) along with results of system walk-downs, description of any permanent design modifications, identification of new or emerging issues and vulnerabilities affecting the system, and an assessment by the design authority of actions necessary to improve the system health score. The overall status scores are calculated using a formula and based on a pre-determined grading scale, a color is assigned for simple presentation. The information gained from developing the reports is being used to (1) assist with making timely and better informed decisions through the use of solid technical bases that are increasing the overall reliability and capabilities of the Site's infrastructure systems as new expense and capital projects in the Reliability Projects Investment Portfolio (RPIP) are prioritized and executed; (2) feed the risk management program, and (3) integrate the technical content of Master Plans that describe the Site's needs for the system and the system's capabilities to meet those future needs. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Distinct Kinetic Signatures of Photodesorption from Metal Nanoparticles

Visible photon fluxes can influence the rate and selectivity of heterogeneously catalyzed reactions on metal nanoparticle surfaces. Models describing the influence of photon fluxes have typically introduced photon flux dependent apparent thermal kinetic parameters (reaction orders, activation energies, binding energies, etc.). This has relied on empirical fitting of reaction rate data, making mechanistic interpretations of how photon fluxes influence elementary step rates challenging and inconsistent with fundamental descriptions of photochemistry on metal surfaces developed from surface science studies. Using the CO adsorption–desorption quasi-equilibrium reaction on Pt/Al 2 O 3 catalysts as a model system, we measured steady state adsorbed CO (CO*) coverages under isothermal and isobaric (1 mbar CO) conditions as a function of temperature (473–573 K) and of 440 nm photon flux ((0.1–5.2) × 10 3 # hv Pt site –1 s –1 ) using in situ IR spectroscopy. Steady state CO* coverage on Pt was photon flux dependent with increasing photon flux causing decreasing coverage, consistent with photons driving CO* desorption rates faster than thermal CO* desorption rates. However, photon flux dependent CO* coverages were essentially temperature independent, inconsistent with models that describe photon effects using perturbations to apparent thermal kinetic parameters. Instead, 120 steady state CO* coverages as a function of temperature and photon flux are quantitatively described by a kinetic model in which the overall desorption rate is a summation of independent thermal and photon induced CO* desorption rates. Site-resolved analysis reveals distinct kinetic parameters for photon driven desorption of CO* from well-coordinated, under-coordinated, and highly under-coordinated Pt sites, with temperature-dependent apparent quantum efficiencies (AQE) consistent with temperature dependence of vibrational quanta distribution of adsorbed CO. The rigorous kinetic rate laws for independent photon and thermal driven pathways allow for predictive modeling of the influence of photon fluxes on the rates of CO* desorption under catalytic conditions. Further, the analysis provides evidence that steady state continuous wave photon fluxes can drive desorption/adsorption reactions on metal surfaces out of thermal equilibrium, reconciling surface science observations of molecular photodesorption with applied catalysis. The work establishes a general kinetic framework to be considered for photon driven processes on metals, and defines catalyst, reaction, and photon flux characteristic design principles for breaking Sabatier limitations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Unified theoretical framework for black carbon mixing state allows greater accuracy of climate effect estimation

Black carbon (BC) plays an important role in the climate system because of its strong warming effect, yet the magnitude of this effect is highly uncertain owing to the complex mixing state of aerosols. Here we build a unified theoretical framework to describe BC’s mixing states, linking dynamic processes to BC coating thickness distribution, and show its self-similarity for sites in diverse environments. The size distribution of BC-containing particles is found to follow a universal law and is independent of BC core size. A new mixing state module is established based on this finding and successfully applied in global and regional models, which increases the accuracy of aerosol climate effect estimations. Our theoretical framework links observations with model simulations in both mixing state description and light absorption quantification.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

How Gaps in Time-Series Data Affect Asteroseismic Interpretation

Most pulsating white dwarf stars pulsate with many periods, each of which is a probe of their interior, which has made asteroseismolgy of these stars an active field. However, disentangling the multiple periodicities requires long, uninterrupted strings of data. We briefly describe the history of multi-site observing campaigns that culminated in the development of the Whole Earth Telescope in the late 1980s that still functions today. Through examples from the May 1990 campaign on GD 358, we show how critical it is to eliminate periodic gaps in data to greatly reduce aliasing in Fourier Transforms normally used to analyze the frequency content of pulsating white dwarfs. We close with a brief description of space satellite-based data, along with the advantages and disadvantages of these data compared to ground-based data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

June 2022 Permeability Measurements in P-Tunnel, Nevada National Security Site

This document describes gas permeability measurements made in June 2022 in P-Tunnel at the Nevada National Security Site (NNSS). Four boreholes (AC-1, GI-5, GI-6, and HF-1) were tested with a dual packer system. The pressure versus flow rate data that were collected are analyzed using a numerical simulation method that captures compressible gas flow in partially saturated porous media using a close approximation to the geometry of the test setup. The first part of this document begins with data collection and a description of the packer assembly followed by details on data acquisition, measurement instrumentation, and equipment followed by a description of pre-test system verification. Next, the implementation of testing in the field is described, including how specific locations were chosen for testing. The second part of this document describes the numerical simulations used to back-out permeability from the pressure versus flow rate data. First, the numerical model is described, including assumptions. Next the details of the mesh that represents the experiment are described. A method for generating type curves in pressure versus flow rate space is presented and finally the data are mapped to permeability. We conclude with a discussion of the results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Community Solar Project Models: An Introduction to Basic Financial and Administrative Relationships [Slides]

This resource is a collection of visual aids and descriptions to help explain the basic financial and administrative relationships underpinning common community solar project models. The graphics in this resource depict the flow of electricity from generation to consumption and the financial exchanges between the community solar project owner, subscribers, and distribution utility. Community solar models vary based on ownership (e.g., third party, utility), customer type (e.g., multifamily, single-household), and solar array location (e.g., on-site, off-site).

14 SOLAR ENERGY↗
DOE OSTI2023

Identification and Characterization of ten Escherichia coli Strains Encoding Novel Shiga Toxin 2 Subtypes, Stx2n as Well as Stx2j, Stx2m, and Stx2o, in the United States

The sharing of genome sequences in online data repositories allows for large scale analyses of specific genes or gene families. This can result in the detection of novel gene subtypes as well as the development of improved detection methods. Here, we used publicly available WGS data to detect a novel Stx subtype, Stx2n in two clinical E. coli strains isolated in the USA. During this process, additional Stx2 subtypes were detected; six Stx2j, one Stx2m strain, and one Stx2o, were all analyzed for variability from the originally described subtypes. Complete genome sequences were assembled from short- or long-read sequencing and analyzed for serotype, and ST types. The WGS data from Stx2n- and Stx2o-producing STEC strains were further analyzed for virulence genes pro-phage analysis and phage insertion sites. Nucleotide and amino acid maximum parsimony trees showed expected clustering of the previously described subtypes and a clear separation of the novel Stx2n subtype. WGS data were used to design OMNI PCR primers for the detection of all known stx1 (283 bp amplicon), stx2 (400 bp amplicon), intimin encoded by eae (221 bp amplicon), and stx2f (438 bp amplicon) subtypes. These primers were tested in three different laboratories, using standard reference strains. An analysis of the complete genome sequence showed variability in serogroup, virulence genes, and ST type, and Stx2 pro-phages showed variability in size, gene composition, and phage insertion sites. The strains with Stx2j, Stx2m, Stx2n, and Stx2o showed toxicity to Vero cells. Stx2j carrying strain, 2012C-4221, was induced when grown with sub-inhibitory concentrations of ciprofloxacin, and toxicity was detected. Taken together, these data highlight the need to reinforce genomic surveillance to identify the emergence of potential new Stx2 or Stx1 variants. The importance of this surveillance has a paramount impact on public health. Per our description in this study, we suggest that 2017C-4317 be designated as the Stx2n type-strain.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Continuous soil temperature measurements from 2019-10-4 to 2020-10-4, Teller road Mile 27, Seward Peninsula, Alaska

The dataset contains depth-resolved soil temperature measured at 45 discrete locations in a watershed located along the Nome-Teller road at Mile 27 in Seward Peninsula, Alaska. The dataset was generated to understand the local heterogeneity of soil thermal dynamics and their controls in a discontinuous permafrost region. At each location, temperatures were measured by a distributed temperature profiling probe designed based on Dafflon et al (2022). The dataset includes a description of the probe locations in the "Probe_locations.csv" file and the 45 data files (Soil_temperatures_*.csv). Metadata files include data descriptions (_dd.csv) for tabular data. All included files are listed and described in NGA513_flmd.csv.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Total metal, carbon, anion, iron speciation, and sulfide concentrations; Slate River, East River, and Trail Creek surface water and floodplains, Crested Butte, CO; May 2023–August 2023

This data package comprises analytical results and metadata from stream and groundwater samples collected from the Slate River, East River, Trail Creek, and their respective floodplains. This dataset contains five files: (1) a samples file (2023_SFA_Field_samples.csv) that contains site information; (2) a chemical analysis data file (2023_FieldWaterSampleData_IC__ICPOES__ICPMS__TOC__Fe__S_chem_data.csv) that contains sample analysis values; (3) a file-level metadata file (flmd.csv) that lists each file contained in the dataset with associated metadata; (4) a data dictionary file (dd.csv) that contains column/row headers used throughout the files along with definitions, units, and data types; and (5) a methods file (methods.csv) that contains ID, type, description, instrument, and lab information for each method.The samples’ anion concentrations were measured using ion chromatography (IC), total metal concentrations using inductively coupled plasma emission spectrometry (ICP-OES) and inductively coupled plasma mass spectrometry (ICP-MS), non-purgeable organic carbon using total organic carbon (TOC) analysis, dissolved sulfide concentration using methylene blue spectrophotometry, and iron speciation using the ferrozine assay. To support bulk chemical analyses and colloid characterization, samples were collected from multiple depths ranging from the surface to 3.5 meters below ground.Update on 2024-10-18: Updates were made to the 2023_FieldWaterSampleData_IC__ICPOES__ICPMS__TOC__Fe__S_chem_data.csv and dd.csv files to correct units (ppb instead of ppm).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Surface elevation, snow depth, vegetation height, and color imagery from multiple UAV surveys from 2018 to 2023 across a watershed near Teller road mile marker 27, Seward Peninsula, Alaska

Multiple photogrammetric surveys using an unoccupied aerial system (UAS) were performed across a watershed along Teller road on the Seward Peninsula (Alaska) to investigate terrain, vegetation and snowpack properties. This work was led by the environmental geophysics team from Lawrence Berkeley National Laboratory as part of the Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic). The multiple photogrammetric surveys used mostly a DJI Matrice 210 UAS with a DJI X5S camera, Ground Control Points (GCPs) surveyed with a Real Time Kinematic (RTK)-GPS, and a structure from motion (SfM) technique for photogrammetric reconstruction. Digital Surface elevation Models (DSMs) were inferred at various times of year, including near peak in plant and leaf density (July 19 2017), close to peak in snow depth (April 1 2019 and April 11 2022), and at low plant and leaf density of tall after the first bare-ground date (June 9 2019). Snow and canopy height were obtained by subtracting DSMs from a Digital Terrain Model (DTM) proxy inferred from the June 9 2019 survey. The derived products include ortho-mosaiced RGB map, DSMs, a DTM proxy, snow depth (April 2019 and 2022) and canopy height (July 2017). Unprocessed and processed data products are included in this package (processing levels 0-2). Data and metadata are provided as text (*.csv), image (*.jpg), and GeoTiff (*.tif) formats. This metadata document contains a description of the survey and processing steps and the inferred products.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic) was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy’s Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy’s Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

How Does Water Dissociation Work in Bipolar Membranes?

Bipolar membranes (BPMs) create counteracting spatial gradients of pH and electrostatic potential in electrochemical systems, enabling applications in pH regulation, electrocatalysis, and separations. At the polarized junction of a BPM the water dissociation (WD, 2H2O ⇌ H3O+ + OH-) reaction can be driven, but it remains poorly understood. In this Perspective, we integrate molecular insights from bulk-water autoionization and the associated field effects with continuum descriptions of BPM electrostatics and experimental WD kinetic analyses to describe possible mechanisms of voltage-driven WD. Pristine BPM junctions highlight both the limits of primarily electric-field-driven WD and the practical challenges of junction stability at extreme reverse bias. Introducing heterogeneous catalyst layers, commonly metal oxides and graphene oxides, accelerates WD by orders of magnitude through hypothesized coupled effects in which surface acid-base functionality and high-density hydroxyl sites mediate proton-transfer steps, and catalyst mobile electronic/ionic charges redistribute the junction electric potential drop to shape the local electric fields and reactive microenvironments. Kinetic analyses suggest two regimes of heterogeneous WD mechanism, including field-driven ordering of interfacial water and a Second-Wien-Effect dissociation-barrier lowering. We conclude by defining the key unknown variables (local pH, electrostatic potential, catalyst charge state and relationships among mechanisms) and outlining experimental and multiscale modeling strategies needed for predictive WD catalysis and for controlling related ion-transfer reactions.

Wu, Yifan↗
DOE OSTI2024

Atmospheric Radiation Measurement (ARM) Management Plan

Mission and Vision Statements for the U.S. Department of Energy (DOE)’s Atmospheric Radiation Measurement (ARM) Climate Research Facility Mission The ARM Climate Research Facility, a DOE scientific user facility, provides the climate research community with strategically located in situ and remote-sensing observatories designed to improve the understanding and representation, in climate and earth system models, of clouds and aerosols as well as their interactions and coupling with the Earth’s surface. Vision To provide a detailed and accurate description of the Earth atmosphere in diverse climate regimes to resolve the uncertainties in climate and Earth system models toward the development of sustainable solutions for the nation's energy and environmental challenges.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

WaterTAP3 Model Results for NAWI's Baseline Analyses

Description: This folder contains the results for the WaterTAP3 model that was used for the eight NAWI (National Alliance for Water Innovation) baseline studies published in the Environmental Science and Technology special issue: Technology Baselines and Innovation Priorities for Water Treatment and Supply. The data structure and content are described in a README.txt file. For more details on how to use the data and interpret the results please refer to the model documentation and GitHub site linked in the submission.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗