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Metal Hydroxide and Oxyhydroxide Gas Database

In a high temperature combustion situation such as a gas turbine or rocket engine, combustion products include water vapor. This water vapor reacts with oxides in the hot-gas-path to form volatile hydroxides and oxyhydroxides. The oxides may be structural oxide components or protective oxides on alloys or non-oxide ceramics. In either case, this enhanced volatilization leads to degradation of components. Reliable thermochemical data for many metal hydroxides and oxyhydroxides has not been available. We review a database put together at NASA over many years based on experimental and ab initio computations for thermochemical data of Al, Si, Ti, Cr, Mn, Y, Zr, La, Ta, Gd, and Yb hydroxides and oxyhydroxides. Experimental methods for measuring thermodynamic quantities of metal hydroxides and oxyhydroxides are limited since the required high temperatures and high pressures preclude many conventional methods. Nonetheless, transpiration has proven a valuable tool in our laboratories for the Si-O-H, Cr-O-H, and Ti-O-H systems. Data are analyzed with second and third law methods. These data can be leveraged with quantum chemistry to provide reliable free energy functions for the third law calculation and comparison to the derived enthalpies of formation. Both wave function and DFT methods can be utilized for deriving the thermodynamic functions for the various metal hydroxides and oxyhydroxides. We have found that, in general, reasonable molecular geometries and spectroscopic data can be derived with a relatively low level of theory, i.e. DFT with the B3LYP functional. Accurate calculations of the enthalpy of formation require higher levels of theory, such as the Coupled Cluster, Singles, Doubles, and perturbative Triples CCSD(T) approach with complete basis sets (CBS). Also, corrections for hindered rotations and anharmonicity are necessary. For some symmetries, the anharmonic correction has proven to be a challenge and we have found that this is only treated properly by certain codes. The database lists the fHo(298), So(298), and Cp in the form Cp = A + BT + CT2 + D/T + E/T2, where A, B, C, D, and E are the fitting constants. Thus, it can be easily used in any of the common computational thermochemistry codes. To date, the database contains 51 gaseous species of the formula MOx(OH)y.

Metal Hydroxides↗

Data, model inputs, and analysis scripts associated with a manuscript on stream intermittency controls across spatial scales in Pacific Northwest watersheds

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript "Hydroclimatic Memory and Watershed Template Shape Stream Intermittency: Multi-scale Attribution Using Process-based Simulation and Explainable ML" by Niroula et al. (2026), submitted to Water Resources Research (WRR). The study investigates the dominant controls on stream intermittency across local, reach, and watershed scales using a coupled process-based simulation and explainable machine-learning framework. Long-term daily simulations from the Advanced Terrestrial Simulator (ATS) were used to generate wetness states and ponded-depth responses over river-corridor cells. These ATS outputs were then aggregated across scales and used to train XGBoost (eXtreme Gradient Boosting) models. SHAP (SHapley Additive exPlanations) was applied to quantify the relative importance of hydroclimatic forcings, watershed template attributes, and antecedent-memory effects in shaping intermittency behavior. The analysis is carried out for three contrasting Pacific Northwest watersheds: Oak Creek (OCW), American River Watershed (ARW), and H.J. Andrews (HJA). Across these testbeds, the package contains ATS-ready watershed inputs, ATS run configuration and selected output files, model-evaluation data products, intermittency-analysis datasets, machine-learning target-feature tables, SHAP outputs, and notebooks used to organize, analyze, and visualize results. At a high level, the package documents a workflow in which ATS provides the physically based simulation backbone and explainable machine learning is used as a post-processing attribution tool. The contents are intended to support interpretation of the manuscript figures and results, provide context for how intermittency metrics were generated at multiple scales, and preserve the key artifacts needed to understand and reuse the analysis workflow. The package contains a high-level directory summary file (`summary.txt`) and four main content folders (1) `evaluation_plots` contains evaluation figures and supporting evaluation datasets; (2) `intermittency_plots` contains intermittency-focused analysis notebook and prepared datasets; (3) `ml-training-and-shap_values_plots` contains ML training inputs, SHAP outputs, and figure-generation notebooks; and (4) `watershed_mesh_and_ats_input` contains ATS model setup materials, forcing inputs, geometry, and selected run files. More specifically, the `evaluation_plots` folder contains the notebook used for ATS evaluation plotting and site-specific evaluation datasets. These include evapotranspiration and water-balance products for three watersheds, as well as an Oak Creek field-measurement discharge file. The `intermittency_plots` folder contains the notebook used for intermittency analysis and the prepared datasets used to analyze intermittent and non-intermittent wetness behavior across the study watersheds. The `ml-training-and-shap_values_plots` folder contains notebooks and outputs for the machine-learning and explainability workflow. This includes the main XGBoost and SHAP notebook(s), a beeswarm plotting notebook, target-feature tables for machine-learning training, SHAP summary tables, and per-sample SHAP value archives. The `watershed_mesh_and_ats_input` folder contains ATS-related watershed inputs and supporting materials. This includes mesh and shape products, ATS-readable LAI and meteorological forcing inputs, selected ATS spinup and transient-run files, and a watershed workflow example notebook. Subdirectories are organized by watershed where applicable.All files are .cpg (codepage files), .csv (comma-separated values), .dbf (database files), .exo (Exodus mesh format), .h5 (HDF5 format), .ipynb (Jupyter notebooks), .pkl (Python pickle), .prj (projection files), .sh (shell scripts), .shp (shapefile geometry), .shx (shapefile index), .txt (text files), or .xml (markup data).

Advanced Terrestrial Simulator↗

Cloud field classification based on textural features

An essential component in global climate research is accurate cloud cover and type determination. Of the two approaches to texture-based classification (statistical and textural), only the former is effective in the classification of natural scenes such as land, ocean, and atmosphere. In the statistical approach that was adopted, parameters characterizing the stochastic properties of the spatial distribution of grey levels in an image are estimated and then used as features for cloud classification. Two types of textural measures were used. One is based on the distribution of the grey level difference vector (GLDV), and the other on a set of textural features derived from the MaxMin cooccurrence matrix (MMCM). The GLDV method looks at the difference D of grey levels at pixels separated by a horizontal distance d and computes several statistics based on this distribution. These are then used as features in subsequent classification. The MaxMin tectural features on the other hand are based on the MMCM, a matrix whose (I,J)th entry give the relative frequency of occurrences of the grey level pair (I,J) that are consecutive and thresholded local extremes separated by a given pixel distance d. Textural measures are then computed based on this matrix in much the same manner as is done in texture computation using the grey level cooccurrence matrix. The database consists of 37 cloud field scenes from LANDSAT imagery using a near IR visible channel. The classification algorithm used is the well known Stepwise Discriminant Analysis. The overall accuracy was estimated by the percentage or correct classifications in each case. It turns out that both types of classifiers, at their best combination of features, and at any given spatial resolution give approximately the same classification accuracy. A neural network based classifier with a feed forward architecture and a back propagation training algorithm is used to increase the classification accuracy, using these two classes of features. Preliminary results based on the GLDV textural features alone look promising.

Sengupta, Sailes Kumar↗

The hierarchical organization of autocatalytic reaction networks and its relevance to origin of life

Abiogenesis has long been suspected to require that chemical reaction networks contain multiple autocatalytic cores, but little is known about what features of these networks allow for the gradual accretion of complexity. To identify realistic scenarios for the emergence of life-like properties, we develop the concept of a seed-dependent autocatalytic system (SDAS), which is a subnetwork that can autocatalytically self-maintain given a flux of food, but cannot be initiated by food alone. Rather, initiation of SDASs requires the transient introduction of chemical “seeds”. We show that, depending on the topological relationship of SDASs in a chemical reaction network, a food-driven system can accrete complexity in a historically contingent manner, governed by rare seeding events. We develop new algorithms for detecting and analyzing SDASs in chemical reaction databases and describe parallels between multi-SDAS networks and biological ecosystems. Applying our algorithms to both an abiotic reaction network and a biochemical one, each driven by a set of simple food chemicals, we detect SDASs that are organized as trophic tiers, of which the higher tier can be seeded by relatively simple chemicals if the lower tier is already activated. This indicates that sequential activation of trophically organized SDASs by seed chemicals that are not much more complex than what already exist could be a mechanism of gradual complexification from relatively simple abiotic reactions to more complex life-like systems. Interestingly, in both reaction networks, higher-tier SDASs include chemicals that might alter emergent features of chemical systems and could serve as early targets of selection. Our analysis provides computational tools for analyzing very large chemical/biochemical reaction networks and suggests new approaches to studying abiogenesis in the lab.

Zhen Peng↗

Improving Simulation of Irrigation in a Global Land Surface Model

Studies have shown that irrigated agriculture has substantial effects on local to regional hydrologic and atmospheric processes. These effects include increased evapotranspiration and near surface humidity, decreased air and ground temperature, augmented downwind precipitation, enhanced recharge, depletion of source water stocks, and overall changes to the regional water budget. However, developers of global offline and coupled modeling systems have been slow to incorporate irrigation. This presentation will describe progress towards simulating irrigation worldwide in the Land Information System (LIS) and Global Land Data Assimilation System (GLDAS). We have developed and refined the ability to simulate sprinkler irrigation, furrow irrigation, paddy irrigation, and drip irrigation. We have reconciled multiple global and national irrigation, land cover, and crop type databases in an effort to (1) distinguish irrigated and rainfed agriculture, (2) simulate the proper distribution of crops (as sub-grid tiles) in each model grid pixel, and (3) apply the most likely irrigation method in each tile based on the crop type and country or state level information on the relative usage of sprinkler, flood, and drip irrigation. Using agricultural water withdrawal data, as available, for calibration and evaluation, we show that the implemented approach is promising but that much fine tuning remains to be done. In particular, irrigation model parameters that produce good results in one location often produce less satisfying results in others.

Matthew Rodell↗

Association of optical, ultraviolet, and soft X-ray excess emissions in AGNs

Soft X-ray emission (0.5–2.0 keV) plays a pivotal role in regulating the optical and ultraviolet (UV) emission in the active galactic nuclei (AGNs). We collected a sample of 1811 AGNs from the SDSS database and obtained various parameters of Balmer lines, optical continuum, Mg ii line & UV continuum and studied their dependencies on soft X-ray luminosity. Based on the linear regression analysis, we found that FWHM$_{\rm {Mg\,\,\small {II}}}$ ∝ FWHM$_{\text{H}\beta }^{0.554}$ suggesting that UV emission is arising from a region relatively outside the broad-line region (BLR) associated to the Hβ emission and found a strong correlation between optical and UV luminosities (L$_{\rm {Mg\,\,\small {II}}}$ ∝ $L_{\rm {H}\beta }^{0.822}$). It was noticed that the dependency of optical continuum luminosities on soft excess changes with the redshift (L X ∝ L$^{0.596}_{5100\, \mathring{\rm A}}$ for z < 0.5 and L X ∝ L$^{0.429}_{5100\, \mathring{\rm A}}$ for z > 0.5). The full width at half-maximum components of Hβ and Mg II core components were found to be virialized and is not affected by the soft excess emission whereas the wings of Mg II display a dependency. We estimated a relation viz. L X ∝L$^{0.520}_{3000\, \mathring{\rm A}}$ FWHM$^{0.525}_{\rm {Mg\,\,\small {II}}}$ and found to be well in agreement with a proposed physical scenario. All the derived relations were used to understand the intermodulating association of the BLR and disc in the AGNs.

79 ASTRONOMY AND ASTROPHYSICS↗

Machine Learning for Automated Metadata Assignment in Buildings: Cooperative Research and Development (Final Report, CRADA Number CRD-18-00767)

RealTerm Energy and NREL have identified a shared vision to evaluate opportunities to facilitate the organization and assignment of metadata to building control system (BCS) data via industry-informed machine learning (ML). Manual metadata assignment is labor intensive and costly, slowing down any Energy Management and Information System (EMIS) deployment in the building space. This project aims to develop methodologies to accurately assign this metadata and significantly decrease the level of effort associated with deploying EMIS. The objective of this project is to identify/design methodologies to assign metadata to HVAC control points automatically. The identified methodologies will be programmed in analytics algorithms so they can ingest a list of points and produce a detailed tagging following the Haystack classification nomenclature. To validate the efficacy of each methodology, tagging results will be compared utilizing a list of points extracted from RealTerm's building database-as well as data extracted from the NREL campus via the Intelligent Campus program-enabling testing against large datasets with real world challenges. The developed methodologies may leverage building manager/operator input on a limited basis to add context to the classifying algorithms. The partnership aims to advance global efforts in areas related to the DOE missions through improving operational performance of commercial buildings. It is well documented that buildings fall out of commission after they are occupied, wasting significant energy and incurring associated costs simply due to poor operational performance. Emerging EMIS technologies that perform continuous commissioning help to address this issue, yet integration of these systems can be labor intensive both for the technology vendor and the building owner/operator. This project will enable more efficient and cost-effective analytics for buildings, enabling improvement in building operations at lower cost points.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Specification of parameters for development of a spatial database for drought monitoring and famine early warning in the African Sahel

Parameters were described for spatial database to facilitate drought monitoring and famine early warning in the African Sahel. The proposed system, referred to as the African Drought and Famine Information System (ADFIS) is ultimately recommended for implementation with the NASA/FEMA Spatial Analysis and Modeling System (SAMS), a GIS/Dymanic Modeling software package, currently under development. SAMS is derived from FEMA'S Integration Emergency Management Information System (IEMIS) and the Pacific Northwest Laborotory's/Engineering Topographic Laboratory's Airland Battlefield Environment (ALBE) GIS. SAMS is primarily intended for disaster planning and resource management applications with the developing countries. Sources of data for the system would include the Developing Economics Branch of the U.S. Dept. of Agriculture, the World Bank, Tulane University School of Public Health and Tropical Medicine's Famine Early Warning Systems (FEWS) Project, the USAID's Foreign Disaster Assistance Section, the World Resources Institute, the World Meterological Institute, the USGS, the UNFAO, UNICEF, and the United Nations Disaster Relief Organization (UNDRO). Satellite imagery would include decadal AVHRR imagery and Normalized Difference Vegetation Index (NDVI) values from 1981 to the present for the African continent and selected Landsat scenes for the Sudan pilot study. The system is initially conceived for the MicroVAX 2/GPX, running VMS. To facilitate comparative analysis, a global time-series database (1950 to 1987) is included for a basic set of 125 socio-economic variables per country per year. A more detailed database for the Sahelian countries includes soil type, water resources, agricultural production, agricultural import and export, food aid, and consumption. A pilot dataset for the Sudan with over 2,500 variables from the World Bank's ANDREX system, also includes epidemiological data on incidence of kwashiorkor, marasmus, other nutritional deficiencies, and synergistically-related infectious diseases.

Rochon, Gilbert L.↗

Advanced life support study

Summary reports on each of the eight tasks undertaken by this contract are given. Discussed here is an evaluation of a Closed Ecological Life Support System (CELSS), including modeling and analysis of Physical/Chemical Closed Loop Life Support (P/C CLLS); the Environmental Control and Life Support Systems (ECLSS) evolution - Intermodule Ventilation study; advanced technologies interface requirements relative to ECLSS; an ECLSS resupply analysis; the ECLSS module addition relocation systems engineering analysis; an ECLSS cost/benefit analysis to identify rack-level interface requirements of the alternate technologies evaluated in the ventilation study, with a comparison of these with the rack level interface requirements for the baseline technologies; advanced instrumentation - technology database enhancement; and a clean room survey and assessment of various ECLSS evaluation options for different growth scenarios.

Source record↗

Aerospace Medicine and Biology: A Continuing Bibliography

This supplemental issue of Aerospace Medicine and Biology, A Continuing Bibliography with Indexes lists reports, articles, and other documents recently announced in the NASA STI Database. In its subject coverage, Aerospace Medicine and Biology concentrates on the biological, physiological, psychological, and environmental effects to which humans are subjected during and following simulated or actual flight in the Earth's atmosphere or in interplanetary space. References describing similar effects on biological organisms of lower order are also included. Such related topics as sanitary problems, pharmacology, toxicology, safety and survival, life support systems, exobiology, and personnel factors receive appropriate attention. Applied research receives the most emphasis, but references to fundamental studies and theoretical principles related to experimental development also qualify for inclusion.

Source record↗

Aerospace Medicine and Biology: A Continuing Bibliography

This supplemental issue of Aerospace Medicine and Biology, A Continuing Bibliography with Indexes (NASA/SP-1998-7011) lists reports, articles, and other documents recently announced in the NASA STI Database. In its subject coverage, Aerospace Medicine and Biology concentrates on the biological, physiological, psychological, and environmental effects to which humans are subjected during and following simulated or actual flight in the Earth's atmosphere or in interplanetary space. References describing similar effects on biological organisms of lower order are also included. Such related topics as sanitary problems, pharmacology, toxicology, safety and survival, life support systems, exobiology, and personnel factors receive appropriate attention. Applied research receives the most emphasis, but references to fundamental studies and theoretical principles related to experimental development also qualify for inclusion. Each entry in the publication consists of a standard bibliographic citation accompanied, in most cases, by an abstract.

Source record↗

Aerospace Medicine and Biology: A Continuing Bibliography with Indexes

This supplemental issue of Aerospace Medicine and Biology, A Continuing Bibliography with Indexes (NASA/SP-1998-7011) lists reports, articles, and other documents recently announced in the NASA STI Database. In its subject coverage, Aerospace Medicine and Biology concentrates on the biological, physiological, psychological, and environmental effects to which humans are subjected during and following simulated or actual flight in the Earth's atmosphere or in interplanetary space. References describing similar effects on biological organisms of lower order are also included. Such related topics as sanitary problems, pharmacology, toxicology, safety and survival, life support systems, exobiology, and personnel factors receive appropriate attention. Applied research receives the most emphasis, but references to fundamental studies and theoretical principles related to experimental development also qualify for inclusion. Each entry in the publication consists of a standard bibliographic citation accompanied, in most cases, by an abstract.

Source record↗

Aerospace Medicine and Biology: A Continuing Bibliography with Indexes

This supplemental issue of Aerospace Medicine and Biology, A Continuing Bibliography with Indexes (NASA/SP-1998-7011) lists reports, articles, and other documents recently announced in the NASA STI Database. In its subject coverage, Aerospace Medicine and Biology concentrates on the biological, physiological, psychological, and environmental effects to which humans are subjected during and following simulated or actual flight in the Earth's atmosphere or in interplanetary space. References describing similar effects on biological organisms of lower order are also included. Such related topics as sanitary problems, pharmacology, toxicology, safety and survival, life support systems, exobiology, and personnel factors receive appropriate attention. Applied research receives the most emphasis, but references to fundamental studies and theoretical principles related to experimental development also qualify for inclusion. Each entry in the publication consists of a standard bibliographic citation accompanied, in most cases, by an abstract.

Source record↗

Aerospace Medicine and Biology: A Continuing Bibliography with Indexes

This supplemental issue of Aerospace Medicine and Biology, A Continuing Bibliography with Indexes (NASA/SP-1999-7011) lists reports, articles, and other documents recently announced in the NASA STI Database. In its subject coverage, Aerospace Medicine and Biology concentrates on the biological, physiological, psychological, and environmental effects to which humans are subjected during and following simulated or actual flight in the Earth's atmosphere or in interplanetary space. References describing similar effects on biological organisms of lower order are also included. Such related topics as sanitary problems, pharmacology, toxicology, safety and survival, life support systems, exobiology, and personnel factors receive appropriate attention. Applied research receives the most emphasis, but references to fundamental studies and theoretical principles related to experimental development also qualify for inclusion. Each entry in the publication consists of a standard bibliographic citation accompanied, in most cases, by an abstract.

Source record↗

Aerospace Medicine and Biology: A Continuing Bibliography with Indexes

This supplemental issue of Aerospace Medicine and Biology, A Continuing Bibliography with Indexes (NASA/SP-1999-7011) lists reports, articles, and other documents recently announced in the NASA STI Database. In its subject coverage, Aerospace Medicine and Biology concentrates on the biological, physiological, psychological, and environmental effects to which humans are subjected during and following simulated or actual flight in the Earth's atmosphere or in interplanetary space. References describing similar effects on biological organisms of lower order are also included. Such related topics as sanitary problems, pharmacology, toxicology, safety and survival, life support systems, exobiology, and personnel factors receive appropriate attention. Applied research receives the most emphasis, but references to fundamental studies and theoretical principles related to experimental development also qualify for inclusion. Each entry in the publication consists of a standard bibliographic citation accompanied, in most cases, by an abstract. The NASA CASI price code table, addresses of organizations, and document availability information are included before the abstract section. Two indexes-subject and author are included after the abstract section.

Source record↗

Aerospace Medicine and Biology: A Continuing Bibliography with Indexes

This supplemental issue of Aerospace Medicine and Biology, A Continuing Bibliography with Indexes (NASA/SP-1999-7011) lists reports, articles, and other documents recently announced in the NASA STI Database. In its subject coverage, Aerospace Medicine and Biology concentrates on the biological, physiological, psychological, and environmental effects to which humans are subjected during and following simulated or actual flight in the Earth's atmosphere or in interplanetary space. References describing similar effects on biological organisms of lower order are also included. Such related topics as sanitary problems, pharmacology, toxicology, safety and survival, life support systems, exobiology, and personnel factors receive appropriate attention. Applied research receives the most emphasis, but references to fundamental studies and theoretical principles related to experimental development also qualify for inclusion. Each entry in the publication consists of a standard bibliographic citation accompanied, in most cases, by an abstract. Two indexes-subject and author are included after the abstract section.

Source record↗

Aerospace Medicine and Biology: A Continuing Bibliography with Indexes

This report lists reports, articles and other documents recently announced in the NASA STI Database. In its subject coverage, Aerospace Medicine and Biology concentrates on the biological, physiological, psychological, and environmental effects to which humans are subjected during and following simulated or actual flight in the Earth's atmosphere or in interplanetary space. References describing similar effects on biological organisms of lower order are also included. Such related topics as sanitary problems, pharmacology, toxicology, safety and survival, life support systems, exobiology, and personnel factors receive appropriate attention. Applied research receives the most emphasis, but references to fundamental studies and theoretical principles related to experimental development also qualify for inclusion. Each entry in the publication consists of a standard bibliographic citation accompanied, in most cases, by an abstract.

Source record↗

Aerospace Medicine and Biology: A Continuing Bibliography with Indexes

This supplemental issue of Aerospace Medicine and Biology, A Continuing Bibliography with Indexes (NASA/SP-1999-7011) lists reports, articles, and other documents recently announced in the NASA STI Database. In its subject coverage, Aerospace Medicine and Biology concentrates on the biological, physiological, psychological, and environmental effects to which humans are subjected during and following simulated or actual flight in the Earth's atmosphere or in interplanetary space. References describing similar effects on biological organisms of lower order are also included. Such related topics as sanitary problems, pharmacology, toxicology, safety and survival, life support systems, exobiology, and personnel factors receive appropriate attention. Applied research receives the most emphasis, but references to fundamental studies and theoretical principles related to experimental development also qualify for inclusion. Each entry in the publication consists of a standard bibliographic citation accompanied, in most cases, by an abstract.

Source record↗