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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Stage-resolved gene regulatory network analysis reveals developmental reprogramming and genes with robust stem-preferred expression in sorghum

Sorghum bicolor is a deep-rooted, heat- and drought-tolerant crop that thrives on marginal lands and is increasingly valued for its applications in biofuel, bioenergy, and biopolymer production. The sorghum stem, which can reach 4–5 m in length, serves as the primary reservoir of both lignocellulosic biomass and soluble sugars, making it a promising bioenergy feedstock. Although recent advances in genetic, genomic, and transcriptomic resources have improved our understanding of sorghum biology, comprehensive genome-wide analyses of functional dynamics across diverse organ types and developmental stages remain limited. In particular, candidate genes with stem preferred expression pattern or their associated cis-regulatory elements, which may program key stem-related functions and enable organ- or tissue-specific engineering, have not yet been identified.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Shorter function summaries for finite state machine-based high consequence systems using logic synthesis and tautologies (Final Report LDRD 24-1302)

Computer programs are often viewed as collections of functions – each function has parameters (inputs) and computes a return value, and each has potential side effects that modify program state (outputs). In this research, a Sandia symbolic execution tool designed to support “human-in-the-loop” analysis was modified to automatically create “function summaries,” and a new tool, “diaboolical,” was created to support enhancing readability of the summary using a novel approach to bit-vector simplification that leverages logic synthesis and tautologies. For this effort, students at Auburn University created several finite state machines (FSMs) to serve as exemplars for high-consequence systems. Function summaries for each of the machines were obtained, and then portions of the summaries were simplified using both diaboolical and the simplification procedure of a popular SMT solver. A comparison of the results shows that diaboolical can often produce smaller function summaries, with expression length improvements over the unsimplified function summaries ranging from 0% to 90% for diaboolical and 0% to 65% for the SMT solver, though diaboolical had a significantly greater cost in time. Diaboolical was evaluated against a collection of “arbitrary” C-code as well as FSM exemplars, and for both datasets it achieved an approximately 10% improvement in expression length compared to simplifications that could be obtained using existing techniques. Function summaries can assist assurance efforts that evaluate existing systems and their executable code. A smaller function summary is likely easier for humans to understand and could thus increase the ability and efficacy of assurance practices centered around the analysis of executable artifacts.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Bacteroides expand the functional versatility of a universal transcription factor and transcribed DNA to program capsule diversity

This record contains a list of Snakemake rules (Snakefile) to process a raw *.fastq.gz (from GEO record: GSE281607) using Cutadapt, map a processed *.fastq file using Bowtie, convert mapped reads to *.bed files using Samtools and Bedtools, and count the occurance of each Bacteriodes fragilis str NCTC 9343 genome position anywhere in a mapped read and as the 3' end of a mapped read using Bedtools. It further contains *ebwt files to assist with Bowtie mapping, *genome file to be used with Bedtools, a *.fasta file (useful to regenerate *ebwt files), and the completely processed *bed and *txt read files (generated by Snakemake and R) as references. In addition, a *.pdb file is included and represents the predicted interaction between UpeY and UpaZ.

Landick, Robert↗
DOE OSTI2026

Measurement of differential t-channel single top (anti)quark production cross-sections at 13 TeV with the ATLAS detector

The production of single top quarks and top antiquarks via the t-channel exchange of a virtual W boson is measured in proton-proton collisions at a centre-of-mass energy of 13 TeV at the Large Hadron Collider. The full Run 2 data sample recorded with the ATLAS detector in the years 2015–2018 is used, corresponding to an integrated luminosity of 140 fb−1. The absolute and normalised production cross-sections are measured differentially as a function of the transverse momentum and absolute rapidity of the top quark and top antiquark. In addition, the ratio of top quark to top antiquark production cross-sections is measured. The measured distributions are compared with next-to-leading-order quantum chromodynamics predictions obtained with different combinations of matrix-element generators, parton-shower programs and proton parton distribution functions, as well as to next-to-next-to-leading-order calculations. Overall, good agreement is observed between the measurements and the theoretical predictions. For most measured distributions, the sensitivity to differences between the predictions is limited by the systematic uncertainties in the measurement. The measured differential distributions are also interpreted in an effective field theory approach to constrain the Wilson-Coefficient CQq3,1$$ {C}_{Qq}^{3,1} $$ associated with a four-quark operator. The interpretation accounts for the effect of the selection efficiency, which is altered significantly by non-zero contributions from CQq3,1$$ {C}_{Qq}^{3,1} $$.

Aad, G↗
DOE OSTI2025

Automated shaker placement and regularized input estimation for MIMO testing.

Multi-input, multi-output (MIMO) testing is used in component qualification to reproduce operational responses in the laboratory. It is often preferred to single-input and base-shake testing because of the potential for equivalent or better tests using smaller actuators and shorter test suites. Given a target response, two key steps in MIMO test design are selecting actuator locations and solving for input loads. Actuator locations are often manually selected using expert judgment. If an automatic method is used, locations are usually determined by simulating the vibration control problem and minimizing a combination of the input energy and control residuals. To select a configuration, the relative importance of input energy and residuals must be specified. Specifying relative weights is, in general, a manual and subjective process. This paper develops an objective function that compares actuator configurations based on control accuracy and required input energy without any manual parameter tuning. The objective function uses an optimally selected tradeoff parameter for each candidate configuration. To choose actuator locations using the new objective function, a pivoting algorithm for integer programming problems is developed. Starting with an initial configuration (such as the one generated by a greedy algorithm), the pivoting algorithm guarantees an objective function decrease in each iteration until convergence is reached. In a simulation featuring a structure excited by a diffuse acoustic field, electrodynamic shaker locations and regularized inputs are solved for without any analyst-specified parameters. Simulations are performed in MIMO configurations where the number of target responses is less than, equal to, and greater than the number of actuators.

Multi-input multi-output↗
DOE OSTI2026

A Complexity Agnostic Clustering Engine for Time Projection Chambers and its Implementation in FPGA

A clustering functional block implemented in field-programable-gate-array (FPGA) for time projection chambers (TPC) operating with predictable time regardless the complexity of the event is described in this paper. The clustering functional block reorganizes input data and the hits data belonging to the same clusters are output together for further process in the later stages. The clustering operation consists of two phases, data filling phase and data outputting phase, and the later uses the same number of clock cycles as the data filling phase. The clustering block can accommodate events with arbitrary number of clusters and number of hits per cluster as long as the total number of hits is within a predesigned limit. The operation time is exactly twice of the data filling time with no residual O(n2) term. The clustering block has been implemented with operating frequency of 200 MHz in a low-cost FPGA evaluation module and test results confirm the expected performance.

Wu, Jinyuan [Fermilab] (ORCID:0000000344329521)↗
DOE OSTI2025

Longitudinal Surveillance for Chronic Health Conditions in Former United States Department of Energy Site Workers

The aim of the study was to determine (1) the rate at which rescreening former Department of Energy site workers identifies noncommunicable chronic diseases and (2) the development of comorbid conditions. Incidence and prevalence of hypertension, diabetes, reduced kidney function, and peripheral neuropathy at both initial and return screenings were calculated. Risk ratio of chronic disease development at return screening based on the presence of other conditions at initial screening were estimated with generalized linear regression. Prevalence of reduced kidney function was 19% at initial examination and 30% at return examination. The screening program was responsible for identifying 81% of reduced kidney function cases. Similar findings were present for the other chronic conditions examined. As a result, former worker health surveillance programs help identify significant health conditions among DOE workers, subcontractors, and visitors. Longitudinal screening of participants detects additional chronic conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Spatiotemporal control of structure and dynamics in a polar active fluid

We apply optimal control theory to drive a polar active fluid into new behaviors: relocating asters, reorienting waves, and on-demand switching between states. This study reveals general principles to program active matter for useful functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Toward accelerating rare-earth metal extraction using equivariant neural networks

The separation of rare-earth metals, vital for numerous advanced technologies, is hampered by their similar chemical properties, making ligand discovery a significant challenge. Traditional experimental and quantum chemistry approaches for identifying effective ligands are often resource-intensive. We introduce a machine learning protocol based on an equivariant neural network, Allegro, for the rapid and accurate prediction of binding energies in rare-earth complexes. Key to this work is our newly curated dataset of rare-earth metal complexes—made publicly available to foster further research—systematically generated using the Architector program. This dataset distinctively features functionalized derivatives of proven rare-earth-chelating scaffolds, hydroxypyridinone (HOPO), catecholamide (CAM), and their thio-analogues, selected for their established efficacy in binding these elements. Trained on this valuable resource, our Allegro models demonstrate excellent performance, particularly when trained to directly predict DFT-level binding energies, yielding highly accurate results that closely correlate with theoretical calculations on a diverse test set. Furthermore, this strategy exhibited strong out-of-sample generalization, accurately predicting binding energies for an isomeric HOPO-derivative ligand not seen during training. By substantially reducing computational demands, this machine learning framework, alongside the provided dataset, represent powerful tools to accelerate the high-throughput screening and rational design of novel ligands for efficient rare-earth metal separation.

Gupta, Ankur K. [Lawrence Berkeley National Labora↗
DOE OSTI2024

PV Generation and Load Forecasting for Adjuntas PR Community Microgrids

Existing frameworks to forecast time-series photovoltaic (PV) output power and consumer load for microgrid operations and controls assume a near-continuous availability of real-time input features from the field assets such as PV inverters, energy meters, and weather station. These incoming data points are used to periodically retrain models and update forecast snapshots over a moving horizon window, be it one hour-ahead, one-day ahead, or one-week ahead. However, such frameworks are not resilient to disruptions in data availability caused by losses in communications between the field sensors and data loggers. Hence, there is a need for programs that assume no availability of real-time microgrid asset data and still make reliable forecasts that can be used for decision-making. Such programs would be apt to function in extreme weather events such as hurricanes and would use lightweight recursive time-series models to independently forecast solar irradiance and ambient temperature, then compute PV power from those forecasts, as well as independently forecast consumer load. The codebase performs forecasting for the scenario of when the microgrid does not have a reliable access to forecasts or real-time observations of solar irradiance (I) and ambient temperature (AT) and load (Load) to be able to adequately forecast, in real-time, the PV power production or a business' load. In this case, using historical values of PV power and load, a univariate forecasting of generation and consumption are respectively made. The use-case in particular has two sub-scenarios: one, a normal 7-day ahead forecast where the unavailability of real-time data is assumed due to infrastructure issues such as loss of communication or sensor maintenance or service downtimes. Whereas a hurricane-caused unavailability of real-time data requires a second model trained specifically on historical hurricane days to be able to capture the extreme day behavior of generation in particular, and load if applicable. A gradient boosted regression tree comprises an ensemble of additive models that map between the input of historical values (be it irradiance, temperature, or load) and their corresponding output forecasts of a given horizon such that the individual learner predictions are summed up over the total number of such learners in the ensemble to produce an aggregate forecast. A weighting mechanism is applied to the training data in each iteration, where actual and forecast values are compared to penalize incorrect forecasts by increasing the weight and reducing it to reward correct forecasts. The code's benefits are that it: (a) accounts for a contingency where communication loss renders newly measured real-time data unavailable for model tuning and snapshot updates; (b) presents blind forecasting that recursively determines the next time-step value in a horizon using the forecast of the same attribute from a prior step; and (c) employs lightweight models that, once trained, can reliably generalize for different horizons, which make them suitable for enhancing the resilience of field microgrids prone to extreme events that encounter disruptions to data availability.

Sundararajan, Aditya [Oak Ridge National Laborator↗
DOE OSTI2026

A Simulator for Neyer Tests of Explosives

Explosives and explosive devices such as detonators are typically tested by applying a range of stimuli such as voltage or mechanical shock, and recording binary “detonated/did not detonate” responses. These are analyzed using maximum likelihood or generalized linear models to provide estimates of quantities such as the all-fire and no-fire points. Given that the true threshold for detonation is unknown a priori , sequential design methods are typically used to optimize the set of test points. One popular method, implemented in commercial software, is Neyer’s algorithm. To support simulation and experimental design, we have developed code in the R programming language to duplicate the functions of the Neyer software. We provide code for the simulator along with a description and examples of usage.

42 ENGINEERING↗
DOE OSTI2026

ESnet Watershed Field Science Data Backhaul Campaign Report

ESnet’s Watershed Field Science Data Backhaul Campaign is intended to improve the ability to gather data from sensors deployed across the East River and Trail Creek watersheds, with a special focus on the Snodgrass distributed sensor area, the Pumphouse instruments with co-located U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) User Facility Surface Atmosphere Integrated Field Laboratory (SAIL) tethered balloon setup, and the former ARM SAIL campaign’s second ARM Mobile Facility (AMF2) site by the Watershed Function Science Focus Area (WFSFA) program. This program is not funded by ARM, but collaborates with ARM as part of the SAIL campaign, collocated with the WFSFA field sites in Colorado’s East River Watershed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Radiological Safety Analysis Computer (RSAC) Program Version 7.4 Users’ Manual

The Radiological Safety Analysis Computer (RSAC) Program Version 7.4 (RSAC-7) is the newest version of the RSAC legacy code. RSAC-7 calculates the consequences of a release of radionuclides to the atmosphere. Users generates a fission product inventory from either reactor operating history or a nuclear criticality event. RSAC-7 models the effects of high-efficiency particulate air filters or other cleanup systems and calculates the decay and ingrowth during transport through processes, facilities, and the environment. Doses are calculated for inhalation, air immersion, ground surface, ingestion, and cloud gamma pathways. RSAC-7 is used as a tool to evaluate accident conditions in emergency response scenarios, radiological sabotage events, and safety basis accident consequences. This users’ manual contains the mathematical models and operating instructions for RSAC-7. Instructions, screens, and examples are provided to guide the user through the functions provided by RSAC-7. This program is designed for users who are familiar with radiological dose assessment methods.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Apollo Next Generation Sample Analysis (ANGSA): an Apollo Participating Scientist Program to Prepare the Lunar Sample Community for Artemis

As a first step in preparing for the return of samples from the Moon by the Artemis Program, NASA initiated the Apollo Next Generation Sample Analysis Program (ANGSA). ANGSA was designed to function as a low-cost sample return mission and involved the curation and analysis of samples previously returned by the Apollo 17 mission that remained unopened or stored under unique conditions for 50 years. These samples include the lower portion of a double drive tube previously sealed on the lunar surface, the upper portion of that drive tube that had remained unopened, and a variety of Apollo 17 samples that had remained stored at -27 °C for approximately 50 years. ANGSA constitutes the first preliminary examination phase of a lunar “sample return mission” in over 50 years. It also mimics that same phase of an Artemis surface exploration mission, its design included placing samples within the context of local and regional geology through new orbital observations collected since Apollo and additional new “boots-on-the-ground” observations, data synthesis, and interpretations provided by Apollo 17 astronaut Harrison Schmitt. ANGSA used new curation techniques to prepare, document, and allocate these new lunar samples, developed new tools to open and extract gases from their containers, and applied new analytical instrumentation previously unavailable during the Apollo Program to reveal new information about these samples. Most of the 90 scientists, engineers, and curators involved in this mission were not alive during the Apollo Program, and it had been 30 years since the last Apollo core sample was processed in the Apollo curation facility at NASA JSC. There are many firsts associated with ANGSA that have direct relevance to Artemis. ANGSA is the first to open a core sample previously sealed on the surface of the Moon, the first to extract and analyze lunar gases collected in situ, the first to examine a core that penetrated a lunar landslide deposit, and the first to process pristine Apollo samples in a glovebox at -20 °C. All the ANGSA activities have helped to prepare the Artemis generation for what is to come. The timing of this program, the composition of the team, and the preservation of unopened Apollo samples facilitated this generational handoff from Apollo to Artemis that sets up Artemis and the lunar sample science community for additional successes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

The Scaling and Units of the Elastic Response Term for Rayleigh Waves that is Output by Computer Programs in Seismology (CPS)

We report on the scaling and units of the Rayleigh wave elastic response function A R (ω) that is output from the widely used Computer Programs in Seismology (CPS) to aid in the modeling of ground motion sourced by atmospheric explosions. The program uses mixed units (km, second, km/s, gm/cc) to keep A R (ω) near 10 0 and prevent any numerical underflow or overflow. We compare two models for the response of an elastic half space to the output from CPS. Our application inputs the recommended, mixed unit geological models to determine how researchers must scale this output to obtain physical units for A R (ω) that represents the amplitude scaling for the minimum group velocity (Airy phase) contribution to Rayleigh waves. We determine that a CPS user must scale the output for A R (ω) by 10 -12 (m/km) 2 (g/cc/m 3 /kg) to obtain MKS (meter, kg, second) units and then must multiply this result by the vertical component eigenfunction squared, that is evaluated at the free surface.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2026

Microbial spies and bloggers: programming cells to convert environmental information into discernible signals

Microbes regulate their dynamic behaviors using the chemical and physical characteristics of their environment. The ability of microbes to continuously convert this physicochemical information into biochemical information and to use organic matter in the environment as a power source makes these organisms attractive as chassis for building sensors. However, most biosensors have severe limitations when considering applications in hard-to-image settings like soils, sediments, and wastewater. Emerging technologies at the interface of biomolecular design, microbiome engineering, and synthetic biology offer new tools to program cells and communities as biosensors for these settings. Here, in this review, we describe innovations in biosensor outputs that are enabling new applications in complex environments, including reporters that are read out using electrochemical, gas chromatography, hyperspectral imaging, and next-generation sequencing methods. We also discuss computational advances that are accelerating the diversification of sensing components by mining metagenomics data for new transcriptional regulators and by designing allosteric protein switches that directly regulate reporter outputs using analytes. We highlight emerging opportunities for programming undomesticated microbes in communities to function as distributed sensors in the environment. Finally, we discuss the need for responsible biosensor development and to modernize regulatory frameworks to support evidence-based assessment of environmental biosensors.

analyte↗
DOE OSTI2025

ASDF: A Compiler for Qwerty, a Basis-Oriented Quantum Programming Language

Qwerty is a high-level quantum programming language built on bases and functions rather than circuits. This new paradigm introduces new challenges in compilation, namely synthesizing circuits from basis translations and automatically specializing adjoint or predicated forms of functions. This paper presents ASDF, an open-source compiler for Qwerty that answers these challenges in compiling basis-oriented languages. Enabled with a novel high-level quantum IR implemented in the MLIR framework, our compiler produces OpenQASM 3 or QIR for either simulation or execution on hardware. Our compiler is evaluated by comparing the fault-tolerant resource requirements of generated circuits with other compilers, finding that ASDF produces circuits with comparable cost to prior circuit-oriented compilers.

Adams, Austin J [Georgia Tech]↗