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NASA NTRS2004

Simulation of Helium-3 Extraction from Lunar Ilmenite

Knowledge of the trapping mechanisms and diffusion characteristics of solar-wind implanted isotopes in the minerals of the lunar regolith will enable the optimization of the processes to extract solar wind gases from regolith particles. Extraction parameters include the temperature and duration of extraction, particle size, and gas yield. Diffusion data will increase the efficiency and profitability of future mining ventures. This data will also assist in optimizing the evaluations of various potential mining sites based on remote sensing data. For instance, if magnesian ilmenite (Mg,Fel.,Ti03) is found to retain He better than stoichiometric ilmenite (FeTi03), remote sensing data for Mg could be considered in addition to Ti and maturity data. The context of the currently discussed work is the mining of helium-3 for potential use as a fuel for fusion energy generation. However, the potential resources deposited by the solar wind include hydrogen (and derived water), helium-4, nitrogen and carbon. Implantation experiments such as those performed for helium isotopes in ilmenite are important for the optimized extraction of these additional resources. These experiments can easily be reproduced for most elements or isotopes of interest.

Kuhlman, K. R.↗

DOE OSTI2023

Proper orthogonal descriptors for efficient and accurate interatomic potentials

Here, we present the proper orthogonal descriptors for efficient and accuracy representation of the potential energy surface. The potential energy surface is represented as a many-body expansion of parametrized potentials in which the potentials are functions of atom positions and parameters. The proper orthogonal decomposition is employed to decompose the parametrized potentials into a set of proper orthogonal descriptors (PODs). Because of the rapid convergence of the proper orthogonal decomposition, relevant snapshots can be sampled exhaustively to represent the atomic neighborhood environment accurately with a small number of descriptors. The proper orthogonal descriptors are used to develop interatomic potentials by using a linear expansion of the descriptors and determining the expansion coefficients from a weighted least-squares regression against a density functional theory (DFT) training set. We present a comprehensive evaluation of the POD potentials on previously published DFT data sets comprising Li, Mo, Cu, Ni, Si, Ge, and Ta elements. The data sets represent a diverse pool of metals, transition metals, and semiconductors. The accuracy of the POD potentials are comparable to that of state-of-the-art machine learning potentials such as the spectral neighbor analysis potential (SNAP) and the atomic cluster expansion (ACE).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Species-specific ribosomal RNA-FISH identifies interspecies cellular-material exchange, active-cell population dynamics and cellular localization of translation machinery in clostridial cultures and co-cultures

ABSTRACT The development of synthetic microbial consortia in recent years has revealed that complex interspecies interactions, notably the exchange of cytoplasmic material, exist even among organisms that originate from different ecological niches. Although morphogenetic characteristics, viable RNA and protein dyes, and fluorescent reporter proteins have played an essential role in exploring such interactions, we hypothesized that ribosomal RNA-fluorescence in situ hybridization (rRNA-FISH) could be adapted and applied to further investigate interactions in synthetic or semisynthetic consortia. Despite its maturity, several challenges exist in using rRNA-FISH as a tool to quantify individual species population dynamics and interspecies interactions using high-throughput instrumentation such as flow cytometry. In this work, we resolve such challenges and apply rRNA-FISH to double and triple co-cultures of Clostridium acetobutylicum, Clostridium ljungdahlii, and Clostridium kluyveri . In pursuing our goal to capture each organism’s population dynamics, we demonstrate dynamic rRNA, and thus ribosome, exchange between the three species leading to the formation of hybrid cells. We also characterize the localization patterns of the translation machinery in the three species, identifying distinct, dynamic localization patterns among them. Our data also support the use of rRNA-FISH to assess the culture’s health and expansion potential, and, here again, our data find surprising differences among the three species examined. Taken together, our study argues for rRNA-FISH as a valuable and accessible tool for quantitative exploration of interspecies interactions, especially in organisms which cannot be genetically engineered or in consortia where selective pressures to maintain recombinant species cannot be used. IMPORTANCE Though dyes and fluorescent reporter proteins have played an essential role in identifying microbial species in co-cultures, we hypothesized that ribosomal RNA-fluorescence in situ hybridization (rRNA-FISH) could be adapted and applied to quantitatively probe complex interactions between organisms in synthetic consortia. Despite its maturity, several challenges existed before rRNA-FISH could be used to study Clostridium co-cultures of interest. First, species-specific probes for Clostridium acetobutylicum and Clostridium ljungdahlii had not been developed. Second, “state-of-the-art” labeling protocols were tedious and often resulted in sample loss. Third, it was unclear if FISH was compatible with existing fluorescent reporter proteins. We resolved these key challenges and applied the technique to co-cultures of C. acetobutylicum , C. ljungdahlii , and Clostridium kluyveri . We demonstrate that rRNA-FISH is capable of identifying rRNA/ribosome exchange between the three organisms and characterized rRNA localization patterns in each. In combination with flow cytometry, rRNA-FISH can capture sub-population dynamics in co-cultures.

Hill, John D.↗

DOE OSTI2015

World Spatiotemporal Analytics and Mapping Project (WSTAMP): Discovering, Exploring, and Mapping Spatiotemporal Patterns across the World’s Largest Open Source Geographic Data Sets

The application of spatiotemporal (ST) analytics to integrated data from major sources such as the World Bank, United Nations, and dozens of others holds tremendous potential for shedding new light on the evolution of cultural, health, economic, and geopolitical landscapes on a global level. Realizing this potential first requires an ST data model that addresses challenges in properly merging data from multiple authors, with evolving ontological perspectives, semantical differences, and changing attributes, as well as content that is textual, numeric, categorical, and hierarchical. Equally challenging is the development of analytical and visualization approaches that provide a serious exploration of this integrated data while remaining accessible to practitioners with varied backgrounds. The WSTAMP project at Oak Ridge National Laboratory has yielded two major results in addressing these challenges: 1) development of the WSTAMP database, a significant advance in ST data modeling that integrates 10,000+ attributes covering over 200 nation states spanning over 50 years from over 30 major sources and 2) a novel online ST exploratory and analysis tool providing an array of modern statistical and visualization techniques for analyzing these data temporally, spatially, and spatiotemporally under a standard analytic workflow. We discuss the status of this work and report on major findings.Acknowledgment Prepared by Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831-6285, managed by UT-Battelle, LLC for the U. S. Department of Energy under contract no. DEAC05-00OR22725. Copyright This manuscript has been authored by employees of UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. Accordingly, the United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.

analytics↗

DOE OSTI2013

Three-Dimensional Geothermal Fairway Mapping: Examples From the Western Great Basin, USA

Elevated permeability along fault systems provides pathways for circulation of geothermal fluids. Accurate location of such fluid flow pathways in the subsurface is crucial to future geothermal development in order to both accurately assess resource potential and mitigate drilling costs by increasing drilling success rates. Employing a variety of surface and subsurface data sets, we present detailed 3D geologic analyses of two Great Basin geothermal systems, the actively producing Brady’s geothermal system and a ‘greenfield’ geothermal prospect at Astor Pass, Nevada. 3D modeling provides the framework for quantitative structural analyses. We combine 3D slip and dilation tendency analysis along fault zones and calculations of fault intersection density in the two geothermal systems with the locations of lithologies capable of supporting dense, interconnected fracture networks. The collocation of these permeability promoting characteristics with elevated heat represent geothermal ‘fairways’, areas with ideal conditions for geothermal fluid flow. Location of geothermal fairways at high resolution in 3D space can help to mitigate the costs of geothermal exploration by providing discrete drilling targets and data-based evaluations of reservoir potential.

15 GEOTHERMAL ENERGY↗

NASA NTRS1977

Variability and transport of ozone at the tropopause from the first year of GASP data

The relationships of ozone near the tropopause with potential vorticity temperature, and distance from the tropopause are examined. Data are also used to estimate the vertical and horizontal fluxes of ozone near the tropopause. The present estimates of the total flux of ozone into the troposphere verify the model results. Although the distribution of flux between mean motions and diffusion is different and thus suggests that models with coarse horizontal resolution must continue to parameterize much vertical transport by diffusion coefficients. Monthly estimates of the horizontal transient eddy flux of ozone are generally smaller than seasonal or yearly results based on ozonesonde data. This is perhaps because the present estimates are made over monthly periods to reduce the influence of correlation between the annual variations in ozone and meridional wind. The available data support the hypothesis that transient eddy fluxes of ozone have large longitudinal variations.

Nastrom, G. D.↗

DOE OSTI2026

Unlocking Synergistic Benefits of Colocation of Data Centers at Airports

This white paper evaluates the potential of a new energy system configuration: Strategic colocation of data centers - on airport property or adjacent to airports - in order to realize significant operational, economic, and environmental benefits to airports, data centers, and the communities they serve. While increasing demand from both airports and data centers requires both parties to make significant infrastructure investments, colocation can mitigate some of the energy, land use, permitting, and connectivity challenges of siting and powering these industries.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Integration of LIBS with Machine Learning for Real-Time Monitoring of Feedstock in H 2 Gasification Applications

This project, funded by the U.S. Department of Energy (DOE) – Office of Fossil Energy under Award Number DE-FE0032177, aimed to assess the feasibility of an integrated Laser-Induced Breakdown Spectroscopy (LIBS) system with advanced machine learning (ML) models for real-time characterization and potential control of hydrogen gasifiers running on waste materials as feedstocks. This was a multidisciplinary effort that encompassed the acquisition and standardized analysis of individual and blended feedstocks—comprising biomass, coal waste, and plastic waste, followed by the development of a dynamic LIBS bench system for material sample analysis and development of predictive ML models. Comprehensive laboratory testing enabled the creation of a robust elemental dataset that served as the foundation for ML model training. Techniques such as Random Forest, Gradient Boosting, Support Vector Regression, and Neural Networks were employed to predict key feedstock properties, including higher heating value (HHV), moisture content, thermal conductivity, and ash composition with high accuracy. The results were validated against experimental data and demonstrated strong potential for real-time application in gasifier control systems. The project concluded with a study on the integration of the LIBS+ML approach for gasifier control and a techno-economic analysis of the implementation of the approach into hydrogen (H 2 ) gasification systems. Dissemination of results was carried out at a DOE meeting. This work establishes a scalable framework for automated, in-line feedstock quality assessment, offering significant implications for process optimization and emissions reduction in hydrogen production.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2018

The Influence of Dispersedly Distributed Cracks on Critical Current of the Nb{sub 3}Sn Strand

The Nb{sub 3}Sn strand is the presently most widely used high field superconductor. However, one important fact is that the transport properties of an Nb{sub 3}Sn strand will degrade obviously when it is subjected to high mechanical loads. Based on the dispersed distribution of cracks in the bronze strand due to a high axial tensile strain, we propose an analytical strand model to describe the influence of cracks on the critical current of the Nb{sub 3}Sn strand. The dependence of the critical current I{sub c} of the strand on crack density is investigated theoretically. It is shown that the calculation results by this model agree with the experimental data. The influence of filament-to-matrix resistance r{sub c} on transport degradation is also discussed since r{sub c} is a key parameter for the total voltage calculation and its realistic value is of great importance for accurate results. We also compared the influence of dispersed and collective cracks on transport properties with specific conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Using occupant interaction with advanced lighting systems to understand opportunities for energy optimization: Control data from a hospital NICU

For this study, lighting system control data from five patient rooms in a neonatal intensive care unit (NICU) over a 25-week monitoring period were analyzed to better understand how the NICU staff and families interacted with an automatic tunable lighting system (variable spectrum and intensity) with manual override options. The data were analyzed to determine the amount of time spent in available lighting modes, estimate energy consumption, and to observe any patterns in how the lighting system was being used by occupants. Further analysis revealed opportunities for optimizing the system for occupant needs and energy savings. The patient room occupants were clearly engaged in using the lighting system throughout the 24-hour day to meet needs and preferences. Giving occupants control over the lighting system did not result in a considerable increase in energy use. Implementing a time-out would minimize the extended periods of time when the lights were left on without need at the highest brightness level, further decreasing energy use. This analysis reveals the potential of lighting control data to contribute to energy savings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC

ABSTRACT The infectious diseases caused by multidrug-resistant bacteria pose serious threats to humankind. It has been suggested that an antibiotic targeting LpxC of the lipid A biosynthetic pathway in Gram-negative bacteria is a promising strategy for curing Gram-negative bacterial infections. However, experimental proof of this concept is lacking. Here, we describe our discovery and characterization of a biphenylacetylene-based inhibitor of LpxC, an essential enzyme in the biosynthesis of the lipid A component of the outer membrane of Gram-negative bacteria. The compound LPC-069 has no known adverse effects in mice and is effective in vitro against a broad panel of Gram-negative clinical isolates, including several multiresistant and extremely drug-resistant strains involved in nosocomial infections. Furthermore, LPC-069 is curative in a murine model of one of the most severe human diseases, bubonic plague, which is caused by the Gram-negative bacterium Yersinia pestis . Our results demonstrate the safety and efficacy of LpxC inhibitors as a new class of antibiotic against fatal infections caused by extremely virulent pathogens. The present findings also highlight the potential of LpxC inhibitors for clinical development as therapeutics for infections caused by multidrug-resistant bacteria. IMPORTANCE The rapid spread of antimicrobial resistance among Gram-negative bacilli highlights the urgent need for new antibiotics. Here, we describe a new class of antibiotics lacking cross-resistance with conventional antibiotics. The compounds inhibit LpxC, a key enzyme in the lipid A biosynthetic pathway in Gram-negative bacteria, and are active in vitro against a broad panel of clinical isolates of Gram-negative bacilli involved in nosocomial and community infections. The present study also constitutes the first demonstration of the curative treatment of bubonic plague by a novel, broad-spectrum antibiotic targeting LpxC. Hence, the data highlight the therapeutic potential of LpxC inhibitors against a wide variety of Gram-negative bacterial infections, including the most severe ones caused by Y. pestis and by multidrug-resistant and extensively drug-resistant carbapenemase-producing strains.

Lemaître, Nadine↗

NASA NTRS2006

Embedded Sensors for Measuring Surface Regression

The development and evaluation of new hybrid and solid rocket motors requires accurate characterization of the propellant surface regression as a function of key operational parameters. These characteristics establish the propellant flow rate and are prime design drivers affecting the propulsion system geometry, size, and overall performance. There is a similar need for the development of advanced ablative materials, and the use of conventional ablatives exposed to new operational environments. The Miniature Surface Regression Sensor (MSRS) was developed to serve these applications. It is designed to be cast or embedded in the material of interest and regresses along with it. During this process, the resistance of the sensor is related to its instantaneous length, allowing the real-time thickness of the host material to be established. The time derivative of this data reveals the instantaneous surface regression rate. The MSRS could also be adapted to perform similar measurements for a variety of other host materials when it is desired to monitor thicknesses and/or regression rate for purposes of safety, operational control, or research. For example, the sensor could be used to monitor the thicknesses of brake linings or racecar tires and indicate when they need to be replaced. At the time of this reporting, over 200 of these sensors have been installed into a variety of host materials. An MSRS can be made in either of two configurations, denoted ladder and continuous (see Figure 1). A ladder MSRS includes two highly electrically conductive legs, across which narrow strips of electrically resistive material are placed at small increments of length. These strips resemble the rungs of a ladder and are electrically equivalent to many tiny resistors connected in parallel. A substrate material provides structural support for the legs and rungs. The instantaneous sensor resistance is read by an external signal conditioner via wires attached to the conductive legs on the non-eroding end of the sensor. The sensor signal can be transmitted from inside a high-pressure chamber to the ambient environment, using commercially available feedthrough connectors. Miniaturized internal recorders or wireless data transmission could also potentially be employed to eliminate the need for producing penetrations in the chamber case. The rungs are designed so that as each successive rung is eroded away, the resistance changes by an amount that yields a readily measurable signal larger than the background noise. (In addition, signal-conditioning techniques are used in processing the resistance readings to mitigate the effect of noise.) Hence, each discrete change of resistance serves to indicate the arrival of the regressing host material front at the known depth of the affected resistor rung. The average rate of regression between two adjacent resistors can be calculated simply as the distance between the resistors divided by the time interval between their resistance jumps. Advanced data reduction techniques have also been developed to establish the instantaneous surface position and regression rate when the regressing front is between rungs.

Gramer, Daniel J.↗

DOE OSTI2023

Development of a Geothermal Module in reV: Quantifying the Geothermal Potential while Accounting for the Geospatial Intersection of the Grid Infrastructure and Land Use Characteristics

The Renewable Energy Potential (reV) model is a geospatial platform for estimating technical potential and developing renewable energy supply curves, initially developed for wind and solar technologies. The model evaluates deployment constraints, considering land use, environmental, and cultural factors, and estimates the distance to existing grid features to connect future plants (Maclaurin et al., 2021). A pressing deficiency in the reV model, however, is representation of geothermal electricity generation technologies. To address this gap, we developed a novel geothermal generation module for reV that allows for representation and analysis at the same level of detail as other renewable technologies. This paper describes our process for evaluating data sources for the modeling, and presents five preliminary reV geothermal results. More specifically, we present two sets of resource data that represent upper and lower bounds for geothermal potential. We then present several sensitivity runs using the upper bound resource data; the results are encouraging that levelized cost of electricity (LCOE) can be reduced by optimizing the location and estimated capacity of the spatially diverse geothermal resource while considering the distance to existing grid infrastructure. Our preliminary supply curves and levelized cost of electricity (LCOE) results should be considered with care due to the highly uncertainty in geothermal resource potential data. We present median LCOE values for the conterminous U.S. for five scenarios: four hydrothermal (3.5km depth) and one EGS (4.5km depth). The capital and operating costs for each respective technology are modeled. We also compare results using two different resource data sources.

exclusions↗

DOE OSTI2024

Development of a Geothermal Module in reV: Quantifying the Geothermal Potential While Accounting for the Geospatial Intersection of the Grid Infrastructure and Land Use Characteristics: Preprint

exclusions↗

DOE OSTI2017

Scaling deep learning workloads: NVIDIA DGX-1/Pascal and Intel Knights Landing

Deep Learning (DL) algorithms have become ubiquitous in data analytics. As a result, major computing vendors --- including NVIDIA, Intel, AMD, and IBM --- have architectural road-maps influenced by DL workloads. Furthermore, several vendors have recently advertised new computing products as accelerating large DL workloads. Unfortunately, it is difficult for data scientists to quantify the potential of these different products. This paper provides a performance and power analysis of important DL workloads on two major parallel architectures: NVIDIA DGX-1 (eight Pascal P100 GPUs interconnected with NVLink) and Intel Knights Landing (KNL) CPUs interconnected with Intel Omni-Path or Cray Aries. Our evaluation consists of a cross section of convolutional neural net workloads: CifarNet, AlexNet, GoogLeNet, and ResNet50 topologies using the Cifar10 and ImageNet datasets. The workloads are vendor-optimized for each architecture. Our analysis indicates that although GPUs provide the highest overall performance, the gap can close for some convolutional networks; and the KNL can be competitive in performance/watt. We find that NVLink facilitates scaling efficiency on GPUs. However, its importance is heavily dependent on neural network architecture. Furthermore, for weak-scaling --- sometimes encouraged by restricted GPU memory --- NVLink is less important.

Gawande, Nitin A.↗

NASA NTRS2000

BOREAS TE-6 Predawn Leaf Water Potentials and Foliage Moisture Contents

The BOREAS TE-6 team collected several data sets to examine the influence of vegetation, climate, and their interactions on the major carbon fluxes for boreal forest species. This data set contains summaries of predawn leaf water potentials and foliage moisture contents collected at the TF and CEV sites that had canopy access towers. The data were collected on a nearly weekly basis from early June to late August 1994 by TE-06, members of the BOREAS staff, and employees of Environment Canada. The data are provided in tabular ASCII files. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Activity Archive Center (DAAC).

Hall, Forrest G.↗

DOE OSTI2023

Renewable Energy Potential Model: Geothermal Supply Curves

The Renewable Energy Potential (reV) model is a geospatial platform for estimating technical potential and developing renewable energy supply curves, initially developed for wind and solar technologies. The model evaluates deployment constraints, considering land use, environmental, and cultural factors, and estimates the distance to existing grid features to connect future plants (Maclaurin et al., 2021). A pressing deficiency in the reV model, however, is representation of geothermal electricity generation technologies. To address this gap, we developed a novel geothermal generation module for reV that allows for representation and analysis at the same level of detail as other renewable technologies. The included paper describes our process for evaluating data sources for the modeling, and presents five preliminary reV geothermal results. More specifically, we present two sets of resource data that represent upper and lower bounds for geothermal potential. We then present several sensitivity runs using the upper bound resource data; the results are encouraging that levelized cost of electricity (LCOE) can be reduced by optimizing the location and estimated capacity of the spatially diverse geothermal resource while considering the distance to existing grid infrastructure. Our preliminary supply curves and levelized cost of electricity (LCOE) results provided here should be considered with care due to the high uncertainty in geothermal resource potential data. We present median LCOE values for the conterminous U.S. for three scenarios: two hydrothermal (3.5km depth, USGS heat flow & SMU temperatures respectively) and one EGS (4.5km depth, SMU temperatures). The capital and operating costs for each respective technology are modeled. We also compare results using two different resource data sources.

15 GEOTHERMAL ENERGY↗

NASA NTRS2012

Improving Post-Hurricane Katrina Forest Management with MODIS Time Series Products

Hurricane damage to forests can be severe, causing millions of dollars of timber damage and loss. To help mitigate loss, state agencies require information on location, intensity, and extent of damaged forests. NASA's MODerate Resolution Imaging Spectroradiometer (MODIS) Normalized Difference Vegetation Index (NDVI) time series data products offers a potential means for state agencies to monitor hurricane-induced forest damage and recovery across a broad region. In response, a project was conducted to produce and assess 250 meter forest disturbance and recovery maps for areas in southern Mississippi impacted by Hurricane Katrina. The products and capabilities from the project were compiled to aid work of the Mississippi Institute for Forest Inventory (MIFI). A series of NDVI change detection products were computed to assess hurricane induced damage and recovery. Hurricane-induced forest damage maps were derived by computing percent change between MODIS MOD13 16-day composited NDVI pre-hurricane "baseline" products (2003 and 2004) and post-hurricane NDVI products (2005). Recovery products were then computed in which post storm 2006, 2007, 2008 and 2009 NDVI data was each singularly compared to the historical baseline NDVI. All percent NDVI change considered the 16-day composite period of August 29 to September 13 for each year in the study. This provided percent change in the maximum NDVI for the 2 week period just after the hurricane event and for each subsequent anniversary through 2009, resulting in forest disturbance products for 2005 and recovery products for the following 4 years. These disturbance and recovery products were produced for the Mississippi Institute for Forest Inventory's (MIFI) Southeast Inventory District and also for the entire hurricane impact zone. MIFI forest inventory products were used as ground truth information for the project. Each NDVI percent change product was classified into 6 categories of forest disturbance intensity. Stand age and stand type raster data, also provided by MIFI, were used along with the forest disturbance/recovery products to create forest damage stratification products integrating 3 stand type classes, 6 stand age classes, and 6 forest disturbance intensity classes. This stratification product will be used to aid MIFI timber inventory planning and to prepare for damage assessments due to future hurricane events. Validation of MODIS percent NDVI change products was performed by comparing the MODIS percent NDVI change products to those from Landsat data for the same time and MIFI inventory district area.

Lewis, Mark David↗