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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 109 records · Page 6

Predicting variations of the least principal stress with depth: Application to unconventional oil and gas reservoirs using a log-based viscoelastic stress relaxation model

Knowledge of layer-to-layer variations of the least principal stress, S hmin , with depth is essential for optimization of multi-stage hydraulic fracturing in unconventional reservoirs. Utilizing a geomechanical model based on viscoelastic stress relaxation in relatively clay rich rocks, we present a new method for predicting continuous S hmin variations with depth. The method utilizes geophysical log data and S hmin measurements from routine diagnostic fracture injection tests (DFITs) at several depths for calibration. We consider a case study in the Wolfcamp formation in the Midland Basin, where both geophysical logs and values of S hmin from DFITs are available. We compute a continuous stress profile as a function of the well logs that fits all of the DFITs well. We utilized several machine learning technologies, such as bootstrap aggregation (or bagging), to improve the generalization of the model and demonstrate that the excellent fit between predicted and observed stress values is not the result of over-fitting the calibration points. The model is then validated by accurately predicting hold-out stress measurements from four wells within the study area and, without recalibration, accurately predicting stress as a function of depth in an offset pad about 6 miles away.

58 GEOSCIENCES↗

Group structure selection with random forests

Choosing an appropriate group structure for multigroup transport is far from an exact science. For some applications, one blindly uses a group structure developed years ago by forgotten methods. Furthermore, one sometimes uses the same group structure for a variety of problems, even if the group structure was originally developed with a certain application in mind. In this work, we create optimized group structures with simulated annealing for critical assembly test problems and apply a random forest regressor with bagging to choose the best group structure based on parameters of the different test problems. The optimized group structures were generated using a simulated annealing optimizer for several simple, spherical, and unreflected problems. The optimization was performed to minimize a cost function that included fission rate, absorption rate, leakage, and k{sub eff}. A random forest regressor was then trained on a set of International Criticality Safety Benchmark Evaluation Project inputs and used to select one of these six group structures. The trained machine learning model chose the best group structure 65% of the time, and one of the three best 89% of the time. Furthermore, it decreased the L2 error over all test problems by a factor of 25 when compared to the standard Los Alamos 70-group structure. In other words, the model chose group structure that were far more appropriate for the test problems than the traditional LANL group structure. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Implementation of stacked ensemble machine learning for the detection of surrogate plutonium contamination in soil via LIBS

Supervised machine learning methods have demonstrated increased utility for the quantification of lanthanide and actinide elements in atomic spectroscopy applications. This study implements laser-induced breakdown spectroscopy (LIBS) for the identification of plutonium surrogate material (CeO 2 ) in soil matrices by training supervised machine learning methods on the recorded spectral data. A bagged ensemble using Random Forest yields the highest sensitivity predictions with a detection limit of 0.015 wt.% CeO 2 . However, high precision in Ce content prediction required the use of a stacked ensemble regression, which provided the superlative Ce quantification model with an error of 0.107% and a detection limit of 0.022 wt.%. Furthermore, the high performance of the stacked ensemble demonstrates its potential to enhance the accuracy and sensitivity of nuclear contaminant detection using field-deployable spectroscopic analyzers in real-world scenarios.

47 OTHER INSTRUMENTATION↗

QED: A Powerful Query Equivalence Decider for SQL

Checking query equivalence is of great significance in database systems. Prior work in automated query equivalence checking sets the first steps in formally modeling and reasoning about query optimization rules, but only supports a limited number of query features. In this paper, we present Qed, a new framework for query equivalence checking based on bag semantics. Qed uses a new formalism called Q-expressions that models queries using different normal forms for efficient equivalence checking, and models features such as integrity constraints and NULLs in a principled way unlike prior work. Our formalism also allows us to define a new query fragment that encompasses many real-world queries with a complete equivalence checking algorithm, assuming a complete first-order theory solver. Empirically, Qed can verify 299 out of 444 query pairs extracted from the Calcite framework and 979 out of 1287 query pairs extracted from CockroachDB, which is more than 2× the number of cases proven by prior state-of-the-art solver.

Computer Science↗

Raw Data published in PeerJ, 2021 for Crested Butte decomposition field study 2017-2019.

This data package contains text files that describe geochemical measurements collected from 2017-2019 during isolated conifer needle decomposition field studies in Crested Butte, Colorado. The geochemical measurements were collected across three elevations (2,800–3,500 m) ranging from montane to subalpine ecoregions. The data sets within include total carbon and nitrogen content and fourier-transform infrared spectroscopy (FTIR) results for the initial needles collected in 2016 and after decomposition in 2019. Data collection results from August 2020 are also included from when the experimental plots were removed to understand final concentrations of soil extractable carbon and nitrogen content as well as mass balances from litter bag deployments. Soil porewater results are also provided from 2017-2019 for DOC, TN, UV254, and specific UV absorbance (SUVA) analyses at 15 cm soil depth. Gas flux raw data provides CO2, CH4, N2O, and NH3 measurements above needle decomposition over the three study years. Finally, soil samples for microbial DNA extractions were collected from the upper soil depth. This raw data is available in the NCBI SRA database under SRA accession numbers PRJNA605259 and PRJNA715914. These data sets were generated to investigate the isolated decomposition of spruce and lodgepole conifer needles. The goal of this work was to determine the roles of elevation, soil type, seasonal changes in soil moisture, and snowmelt timing on litter decomposition processes. Results from this work are detailed in the reference paper "Effect of elevation, season and accelerated snowmelt on biogeochemical processes during isolated conifer needle litter decomposition. DOI: 10.7717/peerj.11926."

54 ENVIRONMENTAL SCIENCES↗

Fungal and bacterial growth variation due to drought and nitrogen addition experimental treatments. Loma Ridge Experimental Project. 2010-2012

Terrestrial ecosystem models assume that microbial communities respond instantaneously, or are immediately resilient, to environmental change. Here we tested this assumption by quantifying the resilience of a leaf litter community to changes in precipitation or nitrogen availability. By manipulating composition within a global change experiment, we decoupled the legacies of abiotic parameters versus that of the microbial community itself. After one rainy season, more variation in fungal composition could be explained by the original microbial inoculum than the litterbag environment (18% versus 5.5% of total variation). This compositional legacy persisted for 3 years, when 6% of the variability in fungal composition was still explained by the microbial origin. In contrast, bacterial composition was generally more resilient than fungal composition. Microbial functioning (measured as decomposition rate) was not immediately resilient to the global change manipulations; decomposition depended on both the contemporary environment and rainfall the year prior. Finally, using metagenomic sequencing, we showed that changes in precipitation, but not nitrogen availability, altered the potential for bacterial carbohydrate degradation, suggesting why the functional consequences of the two experiments may have differed. Predictions of how terrestrial ecosystem processes respond to environmental change may thus be improved by considering the legacies of microbial communities. This data package includes ten csv files (five data files and their corresponding data dictionaries) and one file-level metadata excel file. Data files contains information about which plots were exposed to treatments related to drought and nitrogen, information about litter bags reciprocal transplants manipulation for water input and nitrogen, detail information about water addition, precipitation records, and litter variables collected. Data dictionary files include detail explanation for each column in the data files. The file-level metadata file describes each file mentioned above. All the analyses were done using the R software.

54 ENVIRONMENTAL SCIENCES↗

Data from: "Responses of alpine plant communities to climate warming"

The Alpine Treeline Warming Experiment (ATWE) was a common garden-climate manipulation experiment set up across an elevation gradient in Niwot Ridge, in the Front Range of the Colorado Rocky Mountains, USA. The project sought to learn more about the effects of climate change on alpine and subalpine ecosystems, namely tree species ranges and alpine plant communities. Plots were experimentally manipulated using infrared heaters set up to warm plots to temperatures comparable to those projected for the year 2100. Other treatments include watering, and a combination of watering and heating. Three sites were set up at different elevations to study three tree species, with the highest-elevation “Alpine” site ( ~3540 m) containing twenty additional plots to study alpine plant communities. Data in this package originate from these unseeded alpine plots. To evaluate soil nitrogen availability given site treatments, resin bags were deployed, removed, and extracted annually to produce ammonium and nitrate/nitrite readings.--------------------------------------------------Data files within this archive are in comma-separated-values (.csv) and Microsoft Excel (.xlsx) formats. .csvs can be read and opened by Microsoft Excel, R, or any other simple text-editing software, and .xlsx files can be opened using Microsoft Excel. Geospatial data associated with this package are in .kml and ESRI shapefile (.shp) formats. .kml files can be read using Google Earth or Google Maps, and shapefiles can be read with any software compatible with the file type, such as QGIS or ESRI’s ArcMap suite.Data files in this package - excluding “Winkler_2019_ALPO_inorganic_N_allyears.csv” - are provided in both Microsoft Excel and .csv formats, for added accessibility and flexibility in workflows. File contents are identical.

54 ENVIRONMENTAL SCIENCES↗

Arctic shrub and Eriophorum leaf and root decomposition, northern Alaska, 2017-2018

This data package contains litter decomposition data collected from 170 plots of rapidly expanding shrub genera (Alnus, Betula, and Salix) and a widespread sedge (Eriophorum vaginatum) along a latitudinal and temperature gradient in northern Alaska. These data were produced from a litter bag experiment that took place from July 2017 to July 2018 and include mass loss and nitrogen loss decomposition metrics for both leaf and root litters. These raw data support a submitted manuscript that examines the variability in decomposition between shrub and graminoid leaf and root litters across a 1-year experiment across the graminoid-dominated Arctic tundra and reveals how deciduous shrub expansion affects litter decomposition in tundra ecosystems. Data are presented by site (n=5) and patch (shrub or sedge plot) in csv files. The site and plot location data and environmental measurement data are provided in Fraterrigo and Chen (2020). Additional methods regarding plot distribution and environmental measurements are in Chen et al. (2020) and Fraterrigo et al. (2024).

54 ENVIRONMENTAL SCIENCES↗

EXCHANGE Campaign Degradation (ECD): Understanding Decomposition Dynamics Across Mid-Atlantic and Great Lakes Coastal Ecosystems

The EXploration of Coastal Hydrobiogeochemistry Across a Network of Gradients and Experiments (EXCHANGE) Degradation Experiment (EXCHANGE-D) is an in situ experiment designed to assess organic matter decomposition rates across coastal terrestrial-aquatic interfaces (TAIs), from coastal uplands through transition zones to wetlands. Through a network of partner scientists and coastal sites, we are testing how environmental gradients shape decomposition and carbon dynamics across terrestrial-aquatic interfaces. Using standardized tea bag substrates deployed across a network of diverse coastal sites, we compare decomposition rates at different fresh- and salt-water TAIs to develop transferable knowledge that improves the representation of organic matter degradation in coastal ecosystem models. For more information, please see https://compass.pnnl.gov/FME/EXCHANGE. This is Version 1 of the data package, which includes: ecd_README.pdf flmd.csv dd.csv ecd_soil_weom_L2.csv ecd_soil_ph_conductivity_L2.csv ecd_soil_gwc_L2.csv ecd_soil_teabag_degradation_L2.csv ecd_readme.pdf

coastal soils↗

Diurnal leaf water potential on four tree species, San Lorenzo, Panama, 2020

This data package contains pre-dawn and diurnal leaf water potential (LWP) measured on four trees at the STRI San Lorenzo crane site between January and March 2020. These data were collected from four of the core trees instrumented for sap flux (Guatteria dumetorum, Miconia minutiflora, Terminalia amazonia,Vochysia ferruginea), with measurements made on a single tree on each day. For each tree, leaf samples were harvested from fully sunlit, top of canopy positions pre-dawn (06:00 local time), and then hourly for the subsequent 12 hours. Leaf water potential was measured on 6 - 10 leaves from each time point. Harvested leaves were stored in a cool humid bag in the dark for no more than 40 minutes before LWP was measured. These data were collected as part of a 2020 dry season campaign led by Brookhaven National Laboratory (BNL). Refer to related datasets for further sample details, and paired leaf mass area (LMA), survey gas exchange, and leaf chemistry data. The files included in this data package are in .csv format, and include one data file and three metadata files.

54 ENVIRONMENTAL SCIENCES↗

Panama leaf water potential census 2015-2019

This dataset contains values of leaf water potential from a monthly census of predawn and midday measurements conducted on nine trees in each of two sites in Panama from December 2015 to July 2019. The dataset includes individual measurements that were made with a pressure chamber. The measurements were made on the focal trees to complement concurrent measurements of sap flow. The trees were also intensively measured for leaf-level physiological condition during the 2016 ENSO campaign conducted by NGEE-tropics. A subset of measurements was made on leaves that were sealed in plastic bags and protected from solar radiation before they were collected, such that the measurements assessed branch water potential. The dataset contains a csv file that has columns for the time, location, and value of each measurement. The dataset also contains a metadata file, column description file, and an E-Field log file in the recommended NGEE-Tropic formats.

54 ENVIRONMENTAL SCIENCES↗

Fluid Flow Observations of The Spray Near-Field Using High-Speed X-Ray Imaging

Sprays are important to may industrial processes, but the near-field region where spray formation takes place is difficult to visualize and characterize through visible light imaging because this region is typically optically dense. X-ray imaging is one technique that can penetrate this optically dense region and provide unique observations of the spray formation process. This study uses high-speed white beam X-ray imaging conducted at the Advanced Photon Source to capture spray formation dynamics from a canonical airblast atomizer. In this work, a range of momentum flux ratios are visualized by varying the gas flow rate while the liquid flow rate is held constant. The use of X-rays show overlapping flow structures including bags, ligaments, mushrooms, and webs. Air bubbles are captured within the liquid regions, and a very dynamic crown forms at the liquid needle exit at higher momentum flux ratios. Finally, at the highest momentum flux ratios, air bubbles and liquid droplets are observed migrating upstream in the center of the crown, and this motion is attributed to a toroidal recirculation cell at the nozzle exit.

47 OTHER INSTRUMENTATION↗

Materials Data on AgB(CN)4 by Materials Project

BAg(CN)4 is Tetraauricupride structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one boron, metallic molecule and one Ag(CN)4 cluster. In the Ag(CN)4 cluster, Ag1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Ag–N bond lengths are 2.26 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Ag1+ and one C2+ atom.

36 MATERIALS SCIENCE↗

Area G FTWC Venting Operations, Transportation, and Moving to the WETF Facility [Slides]

What is a FTWC? Flanged Tritium Waste Containers (FTWC) are designed to hold tritium contaminated waste. The tritium contaminated waste is in secondary containers such as plastic bags and paint cans. Tritium is a gas that is lighter than air. Hydrogen gas is lighter-than-air. Hydrogen gas forms explosive mixtures with air from 4% concentration to 75% concentration. Tritium gas has a Biological ½ life = 10 – 12 days. It is a beta particle emitter. Exposure can occur by inhalation or by skin adsorption.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

How to build a heliotrope solar hot air balloon

This document describes how to build a 5-gore, 5.8 m diameter heliotrope solar hot air balloon. This is a fairly straightforward process, but it is painstaking. When making the balloons, make sure not to wear anything that can snag the material (badges, etc). Sharp objects or corners should not be present. When laying out, folding, and cutting gores, it is best to wear socks instead of shoes. Tape should never be pulled off of a balloon. If it accidentally touches the balloon material, it should be left in place or cut free. Also, when adding tape (either intentionally or not), no sticky parts should be left. Sticky parts should either be cut free or taped over. Otherwise, the sticky part will grab the balloon envelope and tear it. You are building a 20 ft sphere out of material thinner than a grocery bag — the best guidance is just to use common sense.

42 ENGINEERING↗

Final Reports of the 2019 Los Alamos National Laboratory Computational Physics Student Summer Workshop

The Los Alamos National Laboratory Computational Physics Workshop is intended to educate select students in problems of computational physics, while exciting them about problems of particular interest to LANL. The long term goal is to train a cadre of future researchers with strong connections to LANL and both interest and expertise in the problems LANL faces. This year’s workshop ran from June 10 – August 16, 2019 and once again attracted a phenomenal group of students, whose work is presented in the following pages. The students worked with LANL staff mentors in teams of two, doing original research. In addition, they attended a lecture series focusing on both the basics and the cutting edge challenges of computational physics (Table 1). A new item this year was a modification to our Meet LANL series of brown-bag lunch session, moving from focusing on individual researchers to panel presentations from the different groups within XCP. As always, the mentors were drawn from across disciplines and divisions. Projects looked physics ranging from quantum interactions, up to solar system development.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Review of the Beirut Ammonium Nitrate Explosion [Slides]

In September 2013, the cargo ship MV Rhosus, an 87 m, single-deck cargo ship with two cargo holds totaling around 4000 m 3 , was chartered to transport 2750 metric tonnes of bagged (in 1000 kg sacks) explosives-grade ammonium nitrate from a Georgian fertilizer manufacturer (Rustavi Azot LLC) to an explosives manufacturer (Fábrica de Explosivos Moçambique) in Mozambique. Visual details on the subsequent explosion are provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct Air Capture of CO 2 and Delivery to Photobioreactors for Algal Biofuel Production (Final Report)

A mobile DAC system was designed and constructed to pair with photobioreactors growing algae for biofuel production. The DAC system was designed as a versatile research system, rather than a compact production unit. The system was constructed and mounted on a mobile skid to facilitate transportation to the algae production site. Within the DAC system, CO 2 was captured using amine-loaded monoliths that allow for high CO 2 uptake with low pressure drop. The CO 2 is collected using a Global Thermostat patented temperature/vacuum swing adsorption (TVSA) process. Amine sorbents and process conditions were optimized to produce 10 to >20 g CO 2 .h-1. The stability of the amine sorbents was also studied, with sorbent modifications made to improve stability to degradation by oxidation. An Algenol-developed Spirulina strain (Arthrospira platensis AB2293) was selected as the production cyanobacterial strain. AB2293 cultured was inoculum for outdoor production following PBR installation by Algenol. The PBR system was composed of three independent PBRs, with each PBR composed of four hanging bags internally recirculated by a liquid turnover pump. The PBRs were operated outdoors in Atlanta, GA, and integrated with the DAC system. Algae were grown with similar productivity using DAC-CO 2 as algae grown using pure CO 2 obtained commercially (Airgas). Throughout the experimental duration, no discoloration was observed, and cellular morphology was consistent between the two experimental treatments. An LCA including lifecycle greenhouse gas emissions, full life cycle inventory of the Algenol system and the DAC system and integrated DAC+PBR system was developed. Lifecycle greenhouse gas emissions were calculated for capture of carbon dioxide using input from Global Thermostat and the National Renewable Energy Laboratory. Three scenarios for energy provision were evaluated: a natural gas combined heat and power system sized to meet the electricity requirement, a natural gas combined heat and power system sized to meet the process heat requirements, and a system without on-site power that procures the electricity from the grid. In all three cases, as expected, the major contributor to the emissions is the energy consumption associated with the desorption step of the DAC process. The LCA quantified the reduced potential energy and greenhouse gas emissions of heat and mass integration of DAC and Algenol compared to unintegrated DAC and Algenol systems. A life cycle assessment of the role of sorbent productivity and lifetime was also developed. The development of more robust, oxidation resistant DAC sorbents may enable small reductions in energy requirements and in lifecycle greenhouse gas emissions and other environmental impacts. NREL performed techno-economic analysis (TEA) to identify the integration scenario most likely to achieve a 15% cost reduction target versus the baseline. Heat and mass integration of DAC and the PBR is critical to minimizing the MFSP. The baseline case utilizes no heat and mass integration, and the DAC system provides 100% of the CO 2 required by the photobioreactors (20 tonnes/hr), operating for 12 hours/day capturing 40 tonnes CO 2 /operating hour. The minimum fuel selling price (MFSP) of ethanol calculated from the baseline case was $10.68/gal ethanol. This corresponds with a targeted MFSP of $9.07/gal ethanol (or 15% reduction). This target was achieved by integration Option 2a with the greatest cost reduction of 17.8% (or $8.78/gal) and integration Option 2b with a cost reduction of 16.4% (or $8.93/gal). Reductions in MFSP are attributed to two primary process considerations: (a) CO 2 storage at night reduces the capital expenses associated with DAC (i.e., increasing on-stream time); and (b) distributed DAC scenarios (DAC-PBR integration Options 2a and 2b) make use of boiler and DAC CHP flue gas CO 2 (free). Direct air capture on-stream time was one of the largest contributors to MFSP reduction.

09 BIOMASS FUELS↗