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At least 163 records · Page 9

Multivariate statistical analysis software technologies for astrophysical research involving large data bases

The existing and forthcoming data bases from NASA missions contain an abundance of information whose complexity cannot be efficiently tapped with simple statistical techniques. Powerful multivariate statistical methods already exist which can be used to harness much of the richness of these data. Automatic classification techniques have been developed to solve the problem of identifying known types of objects in multiparameter data sets, in addition to leading to the discovery of new physical phenomena and classes of objects. We propose an exploratory study and integration of promising techniques in the development of a general and modular classification/analysis system for very large data bases, which would enhance and optimize data management and the use of human research resource.

Djorgovski, George↗

Multivariate statistical analysis software technologies for astrophysical research involving large data bases

The existing and forthcoming data bases from NASA missions contain an abundance of information whose complexity cannot be efficiently tapped with simple statistical techniques. Powerful multivariate statistical methods already exist which can be used to harness much of the richness of these data. Automatic classification techniques have been developed to solve the problem of identifying known types of objects in multi parameter data sets, in addition to leading to the discovery of new physical phenomena and classes of objects. We propose an exploratory study and integration of promising techniques in the development of a general and modular classification/analysis system for very large data bases, which would enhance and optimize data management and the use of human research resources.

Djorgovski, Stanislav↗

A Computational Investigation of Gear Windage

A CFD method has been developed for application to gear windage aerodynamics. The goals of this research are to develop and validate numerical and modeling approaches for these systems, to develop physical understanding of the aerodynamics of gear windage loss, including the physics of loss mitigation strategies, and to propose and evaluate new approaches for minimizing loss. Absolute and relative frame CFD simulation, overset gridding, multiphase flow analysis, and sub-layer resolved turbulence modeling were brought to bear in achieving these goals. Several spur gear geometries were studied for which experimental data are available. Various shrouding configurations and free-spinning (no shroud) cases were studied. Comparisons are made with experimental data from the open literature, and data recently obtained in the NASA Glenn Research Center Gear Windage Test Facility. The results show good agreement with experiment. Interrogation of the validative and exploratory CFD results have led, for the first time, to a detailed understanding of the physical mechanisms of gear windage loss, and have led to newly proposed mitigation strategies whose effectiveness is computationally explored.

Hill, Matthew J.↗

Optimal Pathways from Alternative Carbon Feedstocks to Organic Commodity Chemicals

The use of biogenic and waste feedstocks is a promising strategy to improve the chemical sector's supply chain resiliency and carbon intensity. To help inform research efforts that transform these feedstocks into industrial chemicals, we used a systematic analysis framework to consistently evaluate the economics and environmental impacts of >200 alternative production pathways for 51 organic commodity chemicals in the United States under an optimistic future scenario that reflects the potential upper bounds of process scalability, energy availability, and carbon uptake. Lower-impact and lower-cost alternative pathways were identified for all but three chemicals, with 75% using thermochemical routes and half leveraging existing manufacturing infrastructure. Scenario analysis shows that the ranking of these pathways for half of the assessed chemicals is particularly sensitive to carbon uptake assumptions and criteria prioritization (i.e., cost only, environmental impact only, or both), with changes in electricity grid mix, hydrogen source, and underlying mass and energy flow data proving less influential. Implementing alternative pathways for just 11 chemicals could support a transition to net-zero greenhouse gas emissions from chemical production by 2050, with 11% lower cost than business as usual, similar water requirements, quadrupled electricity demand, and the use of most available woody biomass. These findings provide an exploratory guide toward a future chemical industry that harnesses alternative feedstocks.

09 BIOMASS FUELS↗

Stacked Greenfield and Brownfield ROZ Fairways in the Illinois Basin Geo-Laboratory: Co-Optimization of EOR and Associated CO 2 Storage

Residual oil zones (ROZs) are economically viable targets for carbon dioxide enhanced oil recovery (CO 2 -EOR); thick, carbonate ROZs in the San Andres Formation in the Wasson Field of the Permian Basin are an example. Incremental oil produced from CO 2 -EOR can be carbon negative via associated storage of injected CO 2 . Given the regional extent of ROZ fairways and generally higher net utilization of CO 2 (compared to conventional CO 2 -EOR), ROZs provide the opportunity for significant carbon neutral to carbon negative oil production with associated CO 2 storage, and therefore should be a priority target for exploration. However, ROZs have not been widely recognized or identified due to poor or no conventional oil production. Hence, in places like the Illinois Basin (ILB), exploratory analyses are required to recognize the existence of an ROZ. As part of this study, four formations were selected for detailed regional characterization and analysis: Carper Sandstone (part of the Borden Siltstone), Tar Springs Sandstone, Cypress Sandstone, and Middle Devonian (Geneva Dolomite and associated Dutch Creek Sandstone). The four formations underwent regional geological characterization to develop a regional geologic framework for the ROZs and their overlying seals. Findings of this study are supported by data from two field laboratory sites, one with stacked greenfield ROZs and the other with a stacked complex that includes a brownfield ROZ and depleted conventional reservoirs. The field laboratory sites were used to collect data and conduct tests to validate ROZ detection methodologies and identify economic field-deployable strategies to co-optimize CO 2 -EOR and associated storage in stacked ROZs. Findings from these field sites were extrapolated to characterize the basin-wide stacked ROZ fairway resource.

01 COAL, LIGNITE, AND PEAT↗

GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics

Data package for Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon This data is published under a CC0 license. The authors encourage data reuse and request attribution by referencing the below citations for the data packages and associated manuscript. Please cite as: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics. [Data Set] PNNL DataHub. doi: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. MSV000097435: GLBRC soil yearlong incubation 13C-SIP-Lipidomics [Data Set] MassIVE. doi:10.25345/C57659T3K Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon. In Prep This data package consists of compound-specific 13C SIP-lipidomics data from a yearlong tracer incubation experiment designed to investigate microbial lipid persistence in switchgrass bioenergy crop soils. In order to explore how lipid structure may modulate the persistence of C in soil lipids, we leveraged soils from two sites (Michigan - sandy texture, Wisconsin - silty texture) operated by the U.S. Department of Energy-funded Great Lakes Bioenergy Research Center (GLBRC). These sites had comparable climates, identical management practices, but contrasting soil textures, allowing us to assess the variability of lipid accrual or degradation in soils as well as provide insight regarding the degree to which edaphic properties may regulate the retention of soil lipids. Untargeted lipidomics analyses were performed to identify 13C-labeled lipids in the soil microbiome after long-term incubation. Soils were supplemented with 100 micrograms glucose per gram dry soil (99 atom % 13C or natural abundance for paired control) and incubated; samples were collected two months and one year after glucose addition. Lipid extracts (MPLEx) were analyzed by LC-MS/MS and identified using LIQUID. Calculation of isotopic enrichment of lipids was performed by targeted approach using TarMet to quantify lipid isotopologues and IsoCorrectoR to correct for natural abundance isotopes. Contents: Data package contents reported here are the first version and contain downstream analysis files for the raw LC-MS mass spectrometry files (.mzXML) deposited at the MassIVE database repository under accession MSV000097435 (80 experimental runs; 5.85 GB) | MassIVE DOI: 10.25345/C57659T3K. Support files include the additional data download 'Read Me' file containing data descriptor information. Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. Data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location. Available Data Downloads (0.3 GB): "GLBRC soil yearlong incubation 13C-SIP-Lipidomics_readme.txt" - 'Read Me' data package content file (txt) "GLBRC_DataPackage_analysis files" - Data processing files (Rmd) and saved intermediate data processing outputs (rds, csv, xlsx) "GLBRC_13C_lipidomics_dataset.xlsx" - processed data in tabular format (xlsx) Linked Software: LIQUID LC-MS Analysis Software | 10.5281/zenodo.6459462 Lipid Mini-On Software Tools | 10.5281/zenodo.1492803 pmartR Omics Statistical Software | 10.5281/zenodo.6108667 xcms (v4.3.3) TarMet (v1.1.1) IsoCorrectoR (1.24.0) Funding Acknowledgments: This research was supported by an Early Career Research Program award funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (OBER) Genomic Science program under FWP 68292, FWP 07880 and EMSL Exploratory Research Project 51095. A portion of this work was performed in the William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by OBER and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated by Battelle for the DOE under Contract DE-AC05-76RLO1830.

Rempfert, Kaitlin R [Pacific Northwest National La↗

The potential for congressional use of emergent telecommunications: An exploratory assessment

A study of the use of newly emerging communications technology for improving the understanding between members of Congress and their constituents was conducted. The study employed a number of specific methodologies such as interdisciplinary systems model building, technology analysis, a sample survey, and semi-structured interviews using sketches of the emergent channels. The following configurations were identified as representative of emergent channel characteristics: (1) the teleconference, (2) the videoconference, (3) the videophone, (4) cable television, (5) cable television polling, and (6) information retrieval. Analysis of the interview data resulted in an overview of the current congressional-constituent communication system and an assessment of the potential for emergent telecommunications, as perceived by congressmen and senior staff from 40 offices in the stratified judgement sample.

Wood, F. B.↗

Modal identification experiment

The Modal Identification Experiment (MIE) is a proposed on-orbit experiment being developed by NASA's Office of Aeronautics and Space Technology wherein a series of vibration measurements would be made on various configurations of Space Station Freedom (SSF) during its on-orbit assembly phase. The experiment is to be conducted in conjunction with station reboost operations and consists of measuring the dynamic responses of the spacecraft produced by station-based attitude control system and reboost thrusters, recording and transmitting the data, and processing the data on the ground to identify the natural frequencies, damping factors, and shapes of significant vibratory modes. The experiment would likely be a part of the Space Station on-orbit verification. Basic research objectives of MIE are to evaluate and improve methods for analytically modeling large space structures, to develop techniques for performing in-space modal testing, and to validate candidate techniques for in-space modal identification. From an engineering point of view, MIE will provide the first opportunity to obtain vibration data for the fully-assembled structure because SSF is too large and too flexible to be tested as a single unit on the ground. Such full-system data is essential for validating the analytical model of SSF which would be used in any engineering efforts associated with structural or control system changes that might be made to the station as missions evolve over time. Extensive analytical simulations of on-orbit tests, as well exploratory laboratory simulations using small-scale models, have been conducted in-house and under contract to develop a measurement plan and evaluate its potential performance. In particular, performance trade and parametric studies conducted as part of these simulations were used to resolve issues related to the number and location of the measurements, the type of excitation, data acquisition and data processing, effects of noise and nonlinearities, selection of target vibration modes, and the appropriate type of data analysis scheme. The purpose of this talk is to provide an executive-summary-type overview of the modal identification experiment which has emerged from the conceptual design studies conducted to-date. Emphasis throughout is on those aspects of the experiment which should be of interest to those attending the subject utilization conference. The presentation begins with some preparatory remarks to provide background and motivation for the experiment, describe the experiment in general terms, and cite the specific technical objectives. This is followed by a summary of the major results of the conceptual design studies conducted to define the baseline experiment. The baseline experiment which has resulted from the studies is then described.

Kvaternik, Raymond G.↗

An automatically curated first-principles database of ferroelectrics

Ferroelectric materials have technological applications in information storage and electronic devices. The ferroelectric polar phase can be controlled with external fields, chemical substitution and size-effects in bulk and ultrathin film form, providing a platform for future technologies and for exploratory research. In this work, we integrate spin-polarized density functional theory (DFT) calculations, crystal structure databases, symmetry tools, workflow software, and a custom analysis toolkit to build a library of known, previously-proposed, and newly-proposed ferroelectric materials. With our automated workflow, we screen over 67,000 candidate materials from the Materials Project database to generate a dataset of 255 ferroelectric candidates, and propose 126 new ferroelectric materials. We benchmark our results against experimental data and previous first-principles results. The data provided includes atomic structures, output files, and DFT values of band gaps, energies, and the spontaneous polarization for each ferroelectric candidate. Finally, we contribute our workflow and analysis code to the open-source python packages atomate and pymatgen so others can conduct analogous symmetry driven searches for ferroelectrics and related phenomena.

36 MATERIALS SCIENCE↗

Exploratory study on microanalysis of thin films by backscattering techniques

Solid phase epitaxial growth of Si layers was studied by backscattering spectrometry for controllable electrical characteristics. Samples were fabricated by vacuum deposition on a thin layer of Sb before deposition of the amorphous Si layer. Analysis of the resulting SPEG layer showed that Sb was present in the SPEG layer of Si. The characteristic of the SPEG layer against the Si substrate was rectifying. A scanning microprobe picture of a cleaved sample established the presence of a depletion region more than 1 micron below the surface. Hall effect data indicated that the SPEG layer was n-type, with average free carrier concentration of about 10 to the 19th power cm/3 and average electron mobility of about 40 sq cm/Vs. SPEG with Pd silicide or Ni silicide transport layers showed fast initial transient growth regimes with slower growth in the steady state regimes.

Mayer, J. W.↗

Reverse polarity magnetized melt rocks from the Chicxulub impact structure, Yucatan Peninsula, Mexico

Further paleomagnetic data for core samples of melt rock recovered in the Petroleos Mexicanos (PEMEX) exploratory wells within the Chicxulub structure, northern Yucatan peninsula, Mexico are reported. A previous report by Sharpton showed that the rocks studied contain high iridium levels and shocked breccia clasts, and an Ar-40/Ar-39 age of 65.2 plus or minus 0.4 Ma. The geomagnetic polarity determined for two samples is reverse (R) and was correlated with chron 29R that includes the K/T boundary. Our present analysis is based on two samples from each of three clasts of the melt rock from PEMEX well Y6-N17 (1295 to 1299 m b.s.l.). This study concentrates on the vectorial nature and stability of the remanence (NRM), the magnetic mineralogy and remanence carriers (i.e., the reliability and origin of the record), and on the implications (correlation with expected paleolatitude and polarity). The relative orientation of the drill core samples with respect to the horizontal is known. Samples were stable under alternating field (AF) and thermal treatments, and after removal of a small component they exhibited single-vectorial behavior. The characteristic remanence inclinations show small dispersion and a mean value (-43 deg) in close agreement with the expected inclination and paleolatitude (derived from the North American apparent polar wander path). Isothermal remenence (IRM) acquisition experiments, Lowrie-Fuller tests, coercivity and unblocking temperature spectra of NRM and saturation IRM, susceptibility and Q-coefficient analyses, and the single-component nature indicate a dominant mineralogy of iron-rich titanomagnetites with single or pseduo-single domain states. The stable characteristic magnetization may be interpreted as a result of shock heating of the rock at the time of formation of the inpact structure and its polarity, age, and paleolatitude are consistent with a time about the K/T boundary.

Urrutia-Fucugauchi, Jaime↗

PEM-West trajectory climatology and photochemical model sensitivity study prepared using retrospective meteorological data

Trajectory and photochemical model calculations based on retrospective meteorological data for the operations areas of the NASA Pacific Exploratory Mission (PEM)-West mission are summarized. The trajectory climatology discussed here is intended to provide guidance for flight planning and initial data interpretation during the field phase of the expedition by indicating the most probable path air parcels are likely to take to reach various points in the area. The photochemical model calculations which are discussed indicate the sensitivity of the chemical environment to various initial chemical concentrations and to conditions along the trajectory. In the post-expedition analysis these calculations will be used to provide a climatological context for the meteorological conditions which are encountered in the field.

Merrill, John T.↗

Exploratory Efforts to Constrain Geologic Material Properties from Remote Sensing Data: A Joint Study

Identification and characterization of underground events from surface or remote data requires a thorough understanding of the rock material properties. However, material properties usually come from borehole data, which is expensive and not always available. A potential alternative is to use topographic characteristics to approximate the strength, but this has never been done before quantitatively. Here we present the results from the first steps towards this goal. We have found that there are strong correlations between compressive and tensile strengths and slopes, but these correlations vary depending on data analysis details. Rugosity may be better correlated to strength than slope values. More comprehensive analyses are needed to fully understand the best method of predicting strength from topography for this area. We also found that misalignment of multiple GIS datasets can have a large influence on the ability to make interpretations. Lastly, these results will require further study in a variety of climatic conditions before being applicable to other sites.

42 ENGINEERING↗

Behavioral Changes for Energy Efficiency: An Exploratory Analysis of the CanBikeCO Mini-Pilot

Behavioral Changes for Energy Efficiency: an exploratory analysis of the CanBikeCO mini-pilot While the results are strongly positive, the small sample size, narrow demographic profile, and limited mobility alternatives for program participants indicate caution in broader interpretation. However, they do provide the tantalizing possibility that such programs can meet equity and sustainability goals simultaneously.

ADVANCED PROPULSION SYSTEMS↗

Advancing Geophysical Techniques to Image a Stratigraphic Hydrothermal Resource

Sedimentary-hosted geothermal energy systems are permeable structural, structural-stratigraphic, and/or stratigraphic horizons with sufficient temperature for direct use and/or electricity generation. Sedimentary-hosted (i.e., stratigraphic) geothermal reservoirs may be present in multiple locations across the central and eastern Great Basin of the USA, thereby constituting a potentially large base of untapped, economically accessible energy resources. Sandia National Laboratories has partnered with a multi disciplinary group of collaborators to evaluate a stratigraphic system in Steptoe Valley, Nevada using both established and novel geophysical imaging techniques. The goal of this study is to inform an optimized strategy for subsequent exploration and development of this resource and analogous ones. Building from prior Nevada Play Fairway Analysis (PFA), this team is primarily 1) collecting additional geophysical data, 2) employing novel joint geophysical inversion/modeling techniques to update existing 3D geologic models, and 3) integrating the geophysical results to produce a working, geologically constrained thermo-hydrological reservoir model. Prior PFA work highlights Steptoe Valley as a favorable resource basin that likely has both sedimentary and hydrothermal characteristics. However, there remains significant uncertainty on the nature and architecture of the resource(s) at depth, which increases the risk in exploratory drilling. Newly acquired gravity, magnetic, magnetotelluric, and controlled-source electromagnetic data products, in conjunction with new and preexisting geoscientific measurements and observations, are being integrated and evaluated for efficacy in understanding stratigraphic geothermal resources and mitigating exploration risk. Furthermore, the influence of hydrothermal activity on sedimentary-hosted reservoirs in favorable structural settings, and whether fault-controlled systems may locally enhance temperature and permeability in some deep stratigraphic reservoirs, will also be evaluated.

Geothermal, Sedimentary Heat, Geophysics, Seismic,↗

Exploratory Efforts to Constrain Geologic Material Properties from Remote Sensing Data: Joint Study (FY2020 Final Report)

Identification and characterization of underground events from surface or remote data requires a thorough understanding of the rock material properties. However, material properties usually come from borehole data, which is expensive and not always available. A potential alternative is to use topographic characteristics to approximate the strength, but this has never been done before quantitatively. Here we present the results from the first steps towards this goal. We have found that there are strong correlations between compressive and tensile strengths and slopes, but these correlations vary depending on data analysis details. Rugosity may be better correlated to strength than slope values. More comprehensive analyses are needed to fully understand the best method of predicting strength from topography for this area. We also found that misalignment of multiple GIS datasets can have a large influence on the ability to make interpretations. Lastly, these results will require further study in a variety of climatic conditions before being applicable to other sites.

58 GEOSCIENCES↗

Exploratory analysis of machine learning techniques in the Nevada geothermal play fairway analysis

Play fairway analysis (PFA) is commonly used to generate geothermal potential maps and guide exploration studies, with a particular focus on locating and characterizing blind geothermal systems. This study evaluates the application of machine learning techniques to PFA in the Great Basin region of Nevada. Following the evaluation of various techniques, we identified two approaches to PFA that produced promising results, 1) supervised Bayesian probabilistic neural networks to generate geothermal potential maps with confidence intervals, and 2) unsupervised principal component analysis paired with k-means clustering to generate both cluster maps to help identify spatial patterns, as well as new combined feature inputs. We applied these techniques to perform a comparative analysis between two principal sets of geological and geophysical features related to permeability and heat and a set of positive (known geothermal resources) and negative training sites (known drill sites with unsuitable geothermal conditions). We found that these methods constrain previously unrecognized feature controls on geothermal favorability, many of which are spatially organized within the extent of cluster groups and the major structural-hydrologic domains of the study area. Furthermore, we utilized exploratory unsupervised modeling to highlight spatial relationships between input data and predictive output results of our supervised modeling. As a result, we demonstrate how our models compare to the previous Nevada PFA and how the rapid insights these machine learning techniques offer may support future assessments of both known and undiscovered blind geothermal systems in the Great Basin region of Nevada and beyond.

15 GEOTHERMAL ENERGY↗

One of These Things IS Like the Other: Pursuing a New Taxonomy of Industry for Improved Energy System Modeling

Industrial processes drive the exchange of materials, energy, and currency throughout the economy. These processes are powered by electricity and direct combustion, with variation in their operation even within the same industry. This heterogeneity makes it difficult for large models, including the National Energy Modeling System (US), to project their energy use while remaining tractable. Decarbonization and ensuing changes to the energy system require changes to industrial processes while offering opportunities for process innovation, but the extent and nature of changes are difficult to model with current classification schemes and corresponding data. The North American Industrial Classification (NAICS) is an economic taxonomy of industries, but its categories are less meaningful from an energy and material flow perspective. For example, a facility that makes steel from iron ore in a blast furnace/basic oxygen furnace is categorized under the same NAICS code as a facility that makes steel from scrap in an electric arc furnace despite the scale, use of recycled scrap versus iron ore, and energy use differences in the two facility types. Exploratory analysis is performed on a large dataset used for plant-level energy assessment in order to detect clusters that can aid in better modeling of industry for energy analysis in an evolving system with breakthrough technologies.

28 EE - Advanced Manufacturing Office (EE-5A)↗