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DOE OSTI2020

Spectral emittance measurements of micro/nanostructures in energy conversion: a review

Micro/nanostructures play a key role in tuning the radiative properties of materials and have been applied to the high-temperature energy conversion systems for improved performance. Among the various radiative properties, spectral emittance is of integral importance for the design and analysis of materials that function as radiative absorbers or emitters. This article presents an overview of the spectral emittance measurement techniques using both the direct and indirect methods. Several micro/nanostructures are also introduced, and a special emphasis is placed on the emissometers developed for characterizing engineered micro/nanostructures in high-temperature applications (e.g., solar energy conversion and thermophotovoltaic devices). Both experimental facilities and measured results for different materials are summarized. Future prospects in developing instrumentation and micro/nanostructured surfaces for practical applications are also outlined. This study provides a comprehensive source of information for the application of micro/nanostructures in high-temperature energy conversion engineering.

14 SOLAR ENERGY↗

DOE OSTI2021

Hydrogen from Sunlight and Water: A Side-by-Side Comparison between Photoelectrochemical and Solar Thermochemical Water-Splitting

Photoelectrochemical (PEC) and solar thermochemical (STCH) water-splitting represent two promising pathways for direct solar hydrogen generation. PEC water-splitting integrates multiple functional materials and utilizes energetic electrons and holes generated from sunlight to produce hydrogen and oxygen in two half-reactions, while STCH water-splitting couples a series of consecutive chemical reactions and uses absorbed heat from sunlight to generate hydrogen and oxygen in two full reactions. In this Focus Review, the basic operating principles, sunlight utilization, device architecture, reactor design, instantaneous and annually averaged solar-to-hydrogen (STH) conversion efficiency, and the operating conditions and constraints of both pathways are compared. A side-by-side comparison addresses some common sources of confusion and misinterpretation, especially in the evaluation of STH conversion efficiencies, and reveals distinct features and challenges in both PEC and STCH technologies. Furthermore, this Focus Review also addresses materials and device challenges in PEC and STCH for cost-competitive hydrogen generation.

08 HYDROGEN↗

DOE OSTI2023

Global analysis of the yeast knockout phenome

Genome-wide phenotypic screens in the budding yeast Saccharomyces cerevisiae, enabled by its knockout collection, have produced the largest, richest, and most systematic phenotypic description of any organism. However, integrative analyses of this rich data source have been virtually impossible because of the lack of a central data repository and consistent metadata annotations. Here, we describe the aggregation, harmonization, and analysis of ~14,500 yeast knockout screens, which we call Yeast Phenome. Using this unique dataset, we characterized two unknown genes (YHR045W and YGL117W) and showed that tryptophan starvation is a by-product of many chemical treatments. Furthermore, we uncovered an exponential relationship between phenotypic similarity and intergenic distance, which suggests that gene positions in both yeast and human genomes are optimized for function.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

AstraAI v1

AstraAI is an open-source, structure-aware AI coding agent designed for large scientific and DOE-HPC codebases such as AMReX-based applications. Unlike general-purpose coding assistants, AstraAI combines retrieval-augmented generation (RAG) with compiler-level Abstract Syntax Tree (AST) analysis to perform precise, scope-constrained code modifications. It identifies exact function spans, enforces locality of edits, and maintains cross-file invariants, enabling deterministic and build-safe transformations in complex C++/GPU environments. AstraAI is intended for developers working on large, evolving HPC frameworks where correctness, reproducibility, and structural integrity are critical. Typical use cases include modifying physics kernels, updating GPU device lambdas, and performing multi-file refactors without breaking compilation or runtime semantics. Compared to conventional LLM-based coding agents - even those with repository access - AstraAI provides structural guarantees rather than free-form text patches. It minimizes unintended diffs, prevents scope drift, preserves formatting and build stability, and reduces structural hallucinations. By integrating compiler tooling directly into the generation loop, AstraAI transforms AI-assisted coding from probabilistic text editing into deterministic, structure-preserving program transformation suitable for mission-critical scientific software.

Natarajan, Mahesh [Lawrence Berkeley National Labo↗

NASA NTRS1987

Bimodal star formation - Constraints from galaxy colors at high redshift

The possibility that at early epochs the light from elliptical galaxies is dominated by stars with an initial mass function (IMF) which is deficient in low-mass stars, relative to the solar neighborhood is investigated. V-R colors for the optical counterparts of 3CR radio sources offer the most severe constraints on the models. Reasonable fits are obtained to both the blue, high-redshift colors and the redder, low-redshift colors with a model galaxy which forms with initially equal star formation rates in each of two IMF modes: one lacking low-mass stars, and one with stars of all masses. The net effect is that the time-integrated IMF has twice as many high-mass stars as the solar neighborhood IMF, relative to low mass stars. A conventional solar neighborhood IMF does not simultaneously account for both the range in colors at high redshift and the redness of nearby ellipticals, with any single star formation epoch. Models with a standard IMF require half the stellar population to be formed in a burst at low redshift z of about 1.

Wyse, Rosemary F. G.↗

NASA NTRS2007

Scientific Uses and Directions of SPDF Data Services

From a science user's perspective, the multi-mission data and orbit services of NASA's Space Physics Data Facility (SPDF) project perform as a working and highly functional heliophysics virtual observatory. CDAWeb enables plots, listings and file downloads for current data across the boundaries of missions and instrument types (and now including data from THEMIS and STEREO), VSPO access to a wide range of distributed data sources. SSCWeb, Helioweb and our 3D Animated Orbit Viewer (TIPSOD) provide position data and query logic for most missions currently-important to heliophysics science. OMNIWeb with its new extension to 1- and 5- minute resolution provides interplanetary parameters at the Earth's bow shock as a unique value-added data product. To enable easier integrated use of our capabilities by developers and by the emerging heliophysics VxOs, our data and services are available through webservices-based APls as well as through our direct user interfaces. SPDF has also now developed draft descriptions of its holdings in SPASE-compliant XML In addition to showcasing recent enhancements to SPDF capabilities, we will use these systems and our experience in developing them: to demonstrate a few typical science use cases; to discuss key scope and design issues among users, service providers and end data providers; and to identify key areas where existing capabilities and effective interface design are still inadequate to meet community needs.

Fung, Shing↗

NASA NTRSDate not supplied

Technology Readiness Assessment for Stirling Power Convertor

Stirling-based power conversion system could represent a critical enabling technology for future NASA missions, offering significantly enhanced power efficiency over traditional thermoelectric systems. To ensure the successful infusion of this technology into deep space and planetary surface missions, a rigorous evaluation of its maturity and associated risks is essential. The objective of this Technology Readiness Assessment (TRA) is to determine the current technology readiness level (TRL) of the Stirling power convertor and identify key technical risks and challenges associated with its maturation and potential infusion into a targeted flight system. The evaluation process will rigorously follow the NASA TRA procedure: (1) determining the requirements that underpin the design, function, and performance; (2) finding and listing all new technology elements (NTEs) and critical technology elements (CTEs); (3) identifying the level of integration assumed for the assessment; and (4) assessing the TRL for each NTE and CTE. The overall subassembly TRL will then be determined via a roll-up using the “weakest link” criterion, culminating in a final (5) assessment of risks to further progression of maturity. This paper will present the results of a comprehensive technology readiness assessment (TRA) conducted on the Stirling-based dynamic power conversion subassembly, excluding the radioisotope heat source. The paper will also describe a detailed breakdown of the TRL roll-up and a matrix of identified risks and recommended mitigation paths, along with identified key technical risks and challenges to achieve the required long-duration performance. Key Words: Radioisotope Power Conversion, Technology Readiness Assessment

Radioisotope Power Conversion↗

DOE OSTI2022

MOOSE Reactor Module Meshing Enhancements to Support Reactor Physics Analysis

The U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) program develops an integrated suite of advanced reactor physics tools built upon the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Each code generally requires an input finite element mesh on which the physics solution is calculated, reported, and transferred to other physics codes. The meshing process is often burdensome for the complex geometries present in reactors due to lack of easy-to-use, open-source meshing tools. To address the bottleneck associated with meshing complex geometries found in nuclear reactors, NEAMS initiated the development of the MOOSE Reactor Module starting in FY21. The Reactor Module builds off the existing MOOSE Mesh System to include targeted meshing capabilities such as the ability to generate hexagonal pin cells, assemblies with ducts, rotating control drums, cores, peripheral zones around a core, as well as the automatic labeling (“reporting IDs”) of pin, assembly, and planar zones to simplify post-processing of results. As a Physics Module in MOOSE, the Reactor Module is open-source, available with any MOOSE installation, directly compatible with MOOSE-based tools, and can be invoked from MOOSEbased applications to generate meshes. Functionality from the Reactor Module has been applied to several advanced reactor concepts to demonstrate user workflow improvements and accuracy. The primary objective of the Reactor Module is to improve useability of MOOSEbased tools by streamlining mesh generation and output inspection processes. During FY22, the functionality of the Reactor Module (and accompanying Mesh System) has been expanded based on user needs. First, the Reactor Geometry Mesh Builder capability developed primarily in FY21 has been refactored and merged to the public MOOSE repository. This capability wraps underlying Reactor Module mesh generators into a “Pin – Assembly – Core” workflow appropriate for conventional Cartesian and hexagonal geometries, and notably assigns material IDs during mesh generation stage and generates only the minimal number of blocks needed in order to reduce computational burden. Biasing and boundary layer options have been added to the base mesh generators as required by thermal hydraulics solvers. The reporting ID functionality has been expanded to differentiate ring-wise and azimuthal sectors within a pin for use with depletion algorithms, and VectorPostProcessor and Reporter objects are now available to integrate solution variables across zones based on ID combinations. Functionality to trim hexagonal meshes along the center or periphery has been developed so users may leverage symmetry and reflective boundary conditions to reduce the mesh size. A flexible and powerful tool to fill the space between two sidesets has been introduced to the framework and can be used for transition layers such as stitching two assemblies together with different numbers of pins, or for complex geometries which do not follow conventional Cartesian/hexagonal patterns. Finally, additional verification problems were performed with NEAMS physics tools in complement with existing NEAMS work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2016

Wavefront-Error Performance Characterization for the James Webb Space Telescope (JWST) Integrated Science Instrument Module (ISIM) Science Instruments

The science instruments (SIs) comprising the James Webb Space Telescope (JWST) Integrated Science Instrument Module (ISIM) were tested in three cryogenic-vacuum test campaigns in the NASA Goddard Space Flight Center (GSFC)'s Space Environment Simulator (SES). In this paper, we describe the results of optical wavefront-error performance characterization of the SIs. The wavefront error is determined using image-based wavefront sensing (also known as phase retrieval), and the primary data used by this process are focus sweeps, a series of images recorded by the instrument under test in its as-used configuration, in which the focal plane is systematically changed from one image to the next. High-precision determination of the wavefront error also requires several sources of secondary data, including 1) spectrum, apodization, and wavefront-error characterization of the optical ground-support equipment (OGSE) illumination module, called the OTE Simulator (OSIM), 2) plate scale measurements made using a Pseudo-Nonredundant Mask (PNRM), and 3) pupil geometry predictions as a function of SI and field point, which are complicated because of a tricontagon-shaped outer perimeter and small holes that appear in the exit pupil due to the way that different light sources are injected into the optical path by the OGSE. One set of wavefront-error tests, for the coronagraphic channel of the Near-Infrared Camera (NIRCam) Longwave instruments, was performed using data from transverse translation diversity sweeps instead of focus sweeps, in which a sub-aperture is translated andor rotated across the exit pupil of the system.Several optical-performance requirements that were verified during this ISIM-level testing are levied on the uncertainties of various wavefront-error-related quantities rather than on the wavefront errors themselves. This paper also describes the methodology, based on Monte Carlo simulations of the wavefront-sensing analysis of focus-sweep data, used to establish the uncertainties of the wavefront error maps.

wavefront error↗

DOE OSTI2021

Beyond the List: Bioagent-Agnostic Signatures Could Enable a More Flexible and Resilient Biodefense Posture Than an Approach Based on Priority Agent Lists Alone

As of 2021, the biothreat policy and research communities organize their efforts around lists of priority agents, which elides consideration of novel pathogens and biotoxins. For example, the Select Agents and Toxins list is composed of agents that historic biological warfare programs had weaponized or that have previously caused great harm during natural outbreaks. Similarly, lists of priority agents promulgated by the World Health Organization and the National Institute of Allergy and Infectious Diseases are composed of previously known pathogens and biotoxins. To fill this gap, we argue that the research/scientific and biodefense/biosecurity communities should categorize agents based on how they impact their hosts to augment current list-based paradigms. Specifically, we propose integrating the results of multi-omics studies to identify bioagent-agnostic signatures (BASs) of disease—namely, patterns of biomarkers that accurately and reproducibly predict the impacts of infection or intoxication without prior knowledge of the causative agent. Here, we highlight three pathways that investigators might exploit as sources of signals to construct BASs and their applicability to this framework. The research community will need to forge robust interdisciplinary teams to surmount substantial experimental, technical, and data analytic challenges that stand in the way of our long-term vision. However, if successful, our functionality-based BAS model could present a means to more effectively surveil for and treat known and novel agents alike.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1990

Integrated receiver for NASA tracking and data relay satellite system

The tracking and data relay satellite system (TDRSS) provides a flexible communications system for low-earth-orbit spacecraft and a source of tracking data to permit the location of the many orbital platforms to be accessed. Central to the TDRSS ground terminal is the integrated receiver which provides data demodulation, decoding, and deinterleaving over the range of 100 sps to 12 Msps, and all the tracking services in a single high-performance design. The requirements and design of the integrated receiver (IR), as well as an unbalanced quadriphase shift keying (UQPSK) receiver/demodulator under development for use in the TDRSS are discussed. The top level architecture of the IR is presented, and the implementation of the primary functions in the receiver is described. A single IR replaces the 12 different chassis currently required to support a single S-band single-access service. This approach has proven to be successful.

Bricker, P.↗

NASA NTRS2014

Exploring NASA OMI Level 2 Data With Visualization

Satellite data products are important for a wide variety of applications that can bring far-reaching benefits to the science community and the broader society. These benefits can best be achieved if the satellite data are well utilized and interpreted, such as model inputs from satellite, or extreme events (such as volcano eruptions, dust storms, etc.).Unfortunately, this is not always the case, despite the abundance and relative maturity of numerous satellite data products provided by NASA and other organizations. Such obstacles may be avoided by allowing users to visualize satellite data as images, with accurate pixel-level (Level-2) information, including pixel coverage area delineation and science team recommended quality screening for individual geophysical parameters. We present a prototype service from the Goddard Earth Sciences Data and Information Services Center (GES DISC) supporting Aura OMI Level-2 Data with GIS-like capabilities. Functionality includes selecting data sources (e.g., multiple parameters under the same scene, like NO2 and SO2, or the same parameter with different aggregation methods, like NO2 in OMNO2G and OMNO2D products), user-defined area-of-interest and temporal extents, zooming, panning, overlaying, sliding, and data subsetting, reformatting, and reprojection. The system will allow any user-defined portal interface (front-end) to connect to our backend server with OGC standard-compliant Web Mapping Service (WMS) and Web Coverage Service (WCS) calls. This back-end service should greatly enhance its expandability to integrate additional outside data-map sources.

Level 2↗

NASA NTRS2014

Exploring NASA OMI Level 2 Data With Visualization

Satellite data products are important for a wide variety of applications that can bring far-reaching benefits to the science community and the broader society. These benefits can best be achieved if the satellite data are well utilized and interpreted, such as model inputs from satellite, or extreme events (such as volcano eruptions, dust storms,... etc.). Unfortunately, this is not always the case, despite the abundance and relative maturity of numerous satellite data products provided by NASA and other organizations. Such obstacles may be avoided by allowing users to visualize satellite data as "images", with accurate pixel-level (Level-2) information, including pixel coverage area delineation and science team recommended quality screening for individual geophysical parameters. We present a prototype service from the Goddard Earth Sciences Data and Information Services Center (GES DISC) supporting Aura OMI Level-2 Data with GIS-like capabilities. Functionality includes selecting data sources (e.g., multiple parameters under the same scene, like NO2 and SO2, or the same parameter with different aggregation methods, like NO2 in OMNO2G and OMNO2D products), user-defined area-of-interest and temporal extents, zooming, panning, overlaying, sliding, and data subsetting, reformatting, and reprojection. The system will allow any user-defined portal interface (front-end) to connect to our backend server with OGC standard-compliant Web Mapping Service (WMS) and Web Coverage Service (WCS) calls. This back-end service should greatly enhance its expandability to integrate additional outside data/map sources.

Aura↗

DOE OSTI2022

Integrating Data From In Vitro New Approach Methodologies for Developmental Neurotoxicity

Abstract In vivo developmental neurotoxicity (DNT) testing is resource intensive and lacks information on cellular processes affected by chemicals. To address this, DNT new approach methodologies (NAMs) are being evaluated, including: the microelectrode array neuronal network formation assay; and high-content imaging to evaluate proliferation, apoptosis, neurite outgrowth, and synaptogenesis. This work addresses 3 hypotheses: (1) a broad screening battery provides a sensitive marker of DNT bioactivity; (2) selective bioactivity (occurring at noncytotoxic concentrations) may indicate functional processes disrupted; and, (3) a subset of endpoints may optimally classify chemicals with in vivo evidence for DNT. The dataset was comprised of 92 chemicals screened in all 57 assay endpoints sourced from publicly available data, including a set of DNT NAM evaluation chemicals with putative positives (53) and negatives (13). The DNT NAM battery provides a sensitive marker of DNT bioactivity, particularly in cytotoxicity and network connectivity parameters. Hierarchical clustering suggested potency (including cytotoxicity) was important for classifying positive chemicals with high sensitivity (93%) but failed to distinguish patterns of disrupted functional processes. In contrast, clustering of selective values revealed informative patterns of differential activity but demonstrated lower sensitivity (74%). The false negatives were associated with several limitations, such as the maximal concentration tested or gaps in the biology captured by the current battery. This work demonstrates that this multi-dimensional assay suite provides a sensitive biomarker for DNT bioactivity, with selective activity providing possible insight into specific functional processes affected by chemical exposure and a basis for further research.

Carstens, Kelly E.↗

DOE OSTI2026

Chemical Recommender System: Replacement Suggestions for Small Molecules

The Chemical Recommender System (CRS) is an open-source, high-performance toolkit that enables real-time similarity searches across the complete PubChem database (over 50 million molecules) using commodity hardware. The CRS addresses critical limitations in existing chemical informatics platforms through a novel vector database infrastructure, extensible model integration capabilities, and complete algorithmic transparency. The system implements a vector database deployment with partitioned indexing that achieves a ~60x speedup over traditional approaches. A containerized model integration framework allows researchers to seamlessly incorporate custom predictive models into the full-scale search and scoring pipeline, while complete configurability of search parameters, filtering logic, and scoring functions provides capabilities not available in existing black-box solutions. Beyond structural similarity, the CRS integrates OPERA QSAR models for thermophysical and toxicity predictions, RDKit synthetic accessibility scoring, and user-defined models to compute weighted final replacement scores. The complete system is accessible through an interactive web application supporting real-time progress monitoring, post-processing score re-weighting, automated PDF reporting, and batch processing capabilities.

Nair, Parthiv Anand [Sandia National Laboratories ↗

NASA NTRS1976

Nitric Oxide Formation by Meteoroids in the Upper Atmosphere

The process of nitric oxide formation during atmospheric entry of meteoroids is analyzed theoretically. An ablating meteoroid is assumed to be a point source in a uniform flow with a continuum regime evolving in its wake. The amount of nitric oxide produced by high-temperature reactions of air in the continuum regime is calculated by numerical integration of chemical-rate equations. This is accomplished by assuming that flow properties are constant across the reacting region, the radius of the region being determined from considerations of shock-wave formation and molecular diffusion. The results, when summed over the observed mass, velocity, and entry-angle distributions of meteoroids, provide annual global production rates of nitric oxide as a function of altitude. The peak production of nitric oxide is found to occur at altitudes between 9 x 10(exp 4) and 10(exp 5) m, the total annual rate being about 4 x 10(exp 7) kg. The present results suggest that the large concentration of nitric oxide observed below 9.5 x 10(exp 4) m could be attributed to meteoroids instead of photodissociation of nitrogen into metastable, 2D-state atoms, as has been previously hypothesized.

Menees, Gene P.↗

NASA NTRS2016

Wavefront-Error Performance Characterization for the James Webb Space Telescope (JWST) Integrated Science Instrument Module (ISIM) Science Instruments

The science instruments (SIs) comprising the James Webb Space Telescope (JWST) Integrated Science Instrument Module (ISIM) were tested in three cryogenic-vacuum test campaigns in the NASA Goddard Space Flight Center (GSFC)'s Space Environment Simulator (SES) test chamber. In this paper, we describe the results of optical wavefront-error performance characterization of the SIs. The wavefront error is determined using image-based wavefront sensing, and the primary data used by this process are focus sweeps, a series of images recorded by the instrument under test in its as-used configuration, in which the focal plane is systematically changed from one image to the next. High-precision determination of the wavefront error also requires several sources of secondary data, including 1) spectrum, apodization, and wavefront-error characterization of the optical ground-support equipment (OGSE) illumination module, called the OTE Simulator (OSIM), 2) F-number and pupil-distortion measurements made using a pseudo-nonredundant mask (PNRM), and 3) pupil geometry predictions as a function of SI and field point, which are complicated because of a tricontagon-shaped outer perimeter and small holes that appear in the exit pupil due to the way that different light sources are injected into the optical path by the OGSE. One set of wavefront-error tests, for the coronagraphic channel of the Near-Infrared Camera (NIRCam) Longwave instruments, was performed using data from transverse translation diversity sweeps instead of focus sweeps, in which a sub-aperture is translated and/or rotated across the exit pupil of the system. Several optical-performance requirements that were verified during this ISIM-level testing are levied on the uncertainties of various wavefront-error-related quantities rather than on the wavefront errors themselves. This paper also describes the methodology, based on Monte Carlo simulations of the wavefront-sensing analysis of focus-sweep data, used to establish the uncertainties of the wavefront-error maps.

image analysis↗

DOE OSTI2023

Developing Renewable Energy Applications for Water Treatment Technologies and Transmission

The need for smaller treatment facilities for more isolated or rural municipal entities and industrial water treatment facilities continues to grow. From environmental justice and energy needs in remote communities that have never been serviced by larger scale utilities to smaller onsite treatment requirements to meet discharge regulations, energy efficient treatment systems that can leverage renewable energy sources can be an important asset to owners. Climate change and population dynamics have changed the needs for distributed water treatment systems and the manner in which they function. New treatment technologies that can operate under dynamic conditions and leverage variable energy sources (e.g., renewable energy, RE) can provide substantial efficiencies and cost savings. The National Renewable Energy Laboratory (NREL) is embarking on research projects that will perform multi-scale studies to investigate treatment technologies on varying source water quality that can operate under unsteady state flow conditions (timing) in response to energy availability, supply, and demand. A pilot-scale system will be built to assess modularity and scaling of treatment system operating conditions and performance. Modeling will also be used to determine feasibility and integration into grid emulation platforms to understand the use and value of operation with RE. Optimization will be completed for the treatment and distribution systems to document strengths and weaknesses of using RE power sources. Results of this effort will advance dynamic water treatment understanding under variable conditions and integration of RE sources to power these systems. This will lead to further decarbonization of municipal and private treatment facilities while supporting a paradigm shift in water treatment process operation and system design to achieve net-zero goals and move toward energy-sensitive resilient water treatment systems.

ENERGY PLANNING, POLICY, AND ECONOMY↗