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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Conjugation-based genome engineering enables rapid prototyping and bioproduction in non-model bacteria

Abstract Non-model bacteria offer unique metabolic capabilities for sustainable bioproduction, yet their limited genetic accessibility hinders systematic strain development. Here we present conjugation-based serine recombinase-assisted genome engineering (cSAGE), a broad-host-range platform that enables predictable, iterative genomic integration in transformation-resistant bacteria. cSAGE combines conjugative DNA delivery, standardized low-copy vectors, orthogonal recombinases, and modular genetic parts to support rapid pathway assembly and cross-host benchmarking. Using purple nonsulfur bacteria as a testbed, we integrate promoter engineering, multi-payload genome modification, and genome-scale metabolic modeling to empirically evaluate host-dependent pathway performance. Applying this workflow, we identify strain-specific differences in photosynthetic conversion of lignin-derived p -coumarate to the thermoplastic precursor p -vinylphenol. By enabling genome engineering and functional comparison across diverse bacteria using a single plasmid system, cSAGE provides a general framework for non-model strain prototyping and biotransformation discovery.

Guzman, Michael S. [Department of Chemical Enginee↗
DOE OSTI2016

Creating an Energy Intelligent Campus: Data Integration Challenges and Solutions at a Large Research Campus

Rich, well-organized building performance and energy consumption data enable a host of analytic capabilities for building owners and operators, from basic energy benchmarking to detailed fault detection and system optimization. Unfortunately, data integration for building control systems is challenging and costly in any setting. Large portfolios of buildings--campuses, cities, and corporate portfolios--experience these integration challenges most acutely. These large portfolios often have a wide array of control systems, including multiple vendors and nonstandard communication protocols. They typically have complex information technology (IT) networks and cybersecurity requirements and may integrate distributed energy resources into their infrastructure. Although the challenges are significant, the integration of control system data has the potential to provide proportionally greater value for these organizations through portfolio-scale analytics, comprehensive demand management, and asset performance visibility. As a large research campus, the National Renewable Energy Laboratory (NREL) experiences significant data integration challenges. To meet them, NREL has developed an architecture for effective data collection, integration, and analysis, providing a comprehensive view of data integration based on functional layers. The architecture is being evaluated on the NREL campus through deployment of three pilot implementations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Rethinking agrivoltaic incentive programs: A science-based approach to encourage practical design solutions

Agrivoltaic systems are promising solutions to address global food and energy challenges by combining agriculture and solar photovoltaics. However, the lack of appropriate regulations to define and guide their implementation constrains the growth of agrivoltaic systems in the U.S. This study uses a shading and radiation tool to evaluate an existing agrivoltaic incentive program that defines agrivoltaic designs based on shading reduction limits and panel height requirements. Our analysis indicates that structuring policy requirements around shading, and not light availability, may lead to an underestimation of crop suitability by neglecting diffuse radiation. Furthermore, we show that agrivoltaic systems can avoid increasing panel height if policy acknowledges use-case scenarios where farming only occurs between rows. In light of these insights, this study proposes two key policy recommendations: (1) benchmark crop suitability based on daily light integral (DLI) requirements for a shade-intolerant crop selected to represent a prevalent crop in the region, and (2) include an incentive scenario where agriculture is only required between rows. Furthermore, these two recommendations can potentially incentivize designs that are practical and closer in cost to conventional solar farms, thereby accelerating the adoption of cost-effective agrivoltaic systems.

14 SOLAR ENERGY↗
DOE OSTI2019

A multispecies, multifluid model for laser–induced counterstreaming plasma simulations

The interpenetration of counterstreaming plasmas is a critical phenomenon in several application areas, such as astrophysical flows, design of controlled fusion devices, and laser–induced plasma experiments. Multispecies “single-fluid” codes are unable to model this phenomenon due to the single velocity representation for all the species/fluids. Kinetic codes, though capable of modeling interpenetration, are computationally prohibitive for at-scale simulations. Here, we introduce a multifluid model that solves the fluid equations for each ion fluid or stream. This allows distinct flows that interact with each other through electrostatic and collisional forces. We observe and describe our code, EUCLID, that uses a conservative finite-difference formulation to discretize the governing equations in space. The 5th-order Monotonicity-Preserving WENO scheme is used for the upwind approximation of the hyperbolic flux, and the explicit 4th-order Runge–Kutta scheme is used for time integration. The code is verified for several benchmark cases and manufactured solutions. We simulate one- and two-dimensional interactions of counterstreaming plasmas in vacuum as well as in the presence of gas fill, where the setups are representative of laser-induced plasma experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry

Graph deep learning models, which incorporate a natural inductive bias for atomic structures, are of immense interest in materials science and chemistry. Here, we introduce the Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry. Built on top of the popular Deep Graph Library (DGL) and Python Materials Genomics (Pymatgen) packages, MatGL is designed to be an extensible “batteries-included” library for developing advanced model architectures for materials property predictions and interatomic potentials. At present, MatGL has efficient implementations for both invariant and equivariant graph deep learning models, including the Materials 3-body Graph Network (M3GNet), MatErials Graph Network (MEGNet), Crystal Hamiltonian Graph Network (CHGNet), TensorNet and SO3Net architectures. MatGL also provides several pre-trained foundation potentials (FPs) with coverage of the entire periodic table, and property prediction models for out-of-box usage, benchmarking and fine-tuning. Finally, MatGL integrates with PyTorch Lightning to enable efficient model training.

chemistry↗
DOE OSTI2021

Critical adjustment of land mitigation pathways for assessing countries' climate progress

Collective progress towards the Paris Agreement’s temperature targets will be assessed by the Agreement’s Global Stocktake process. Global emission pathways by Integrated Assessment Models (IAMs) are a likely benchmark against which aggregated countries’ greenhouse gas mitigation pledges will be assessed. However, this approach requires comparability, which is currently hampered by a 5 GtCO2yr-1 mismatch between the estimated global land anthropogenic flux of IAMs and countries’ GHG inventories (GHGIs) for 2005-2015. We show that this gap is mostly the result of differences in how the anthropogenic forest sink is defined. Countries define managed forest more broadly than IAMs, and on this larger area typically consider anthropogenic also fluxes due to human-induced environmental change, which IAMs do not include their pathways. Using five IAMs and a dynamic global vegetation model (DGVM), we present and apply a novel method that adjusts IAM results to the countries’ definition, closing the gap with GHGIs at global and regional scale. When expressed in a way compatible with GHGIs, adjusted 1.5°C and well-below 2°C pathways have a cumulative CO2 balance until carbon neutrality that is 110–176 GtCO2 lower than the original IAMs pathways. The use of these country-compatible emission pathways under the Global Stocktake would therefore be essential for an accurate assessment of the collective progress towards the Paris Agreement’s climate goals.

Grassi, Giacomo↗
DOE OSTI2020

Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set

We have used diffusion Monte Carlo (DMC) to perform calculations on the L7 benchmark set. DMC is a stochastic numerical integration scheme in real-space and part of a larger set of quantum Monte Carlo methods. The L7 set was designed to test the ability of electronic structure methods to include dispersive interactions. While the agreement between DMC and quantum-chemical state-of-the-art methods is excellent for some of the structures, there are significant differences in others. In contrast to wavefunction-based quantum chemical methods, DMC is a first-principle many-body method with the many-body wavefunction evolving in real space. It includes explicitly all electron–electron interactions and is relatively insensitive to the size of the basis set.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Influence of the drive design on ablation front hydrodynamic instability growth in a capsule implosion at the National Ignition Facility

A critical aspect of inertial confinement fusion experiments lies in the control of ablation front instabilities during the implosion process. The growth of Rayleigh–Taylor and Richtmyer–Meshkov instabilities, seeded by target defects, can significantly degrade the performance of the implosion. Here, this study explores the influence of drive design on ablation front stability using the hydro-growth radiography platform at the National Ignition Facility. This platform allows the measurement of the ablation front hydrodynamic instability growth. Because these measurements are restricted to early convergence, their primary role is to constrain the initial instability growth and benchmark the simulations used to infer shell integrity and performance at peak velocity and ignition. Three ignition designs, Hybrid-E (HyE), SQ-n (“S” for scaling and “Q” for quality), and High temperature, High thickness (HiT) were analyzed. The results demonstrated a high dependence of the growth factor on the choice of design, capsule scale as well as the hohlraum conditions, mainly the radiative temperature and the gold M-band emission. HyE and SQ-n display a similar growth factor range, but their evolution is different due to the design differences in hohlraum conditions. HiT has the lowest growth factor of the studied designs, which is a result of a higher radiative temperature. These results highlight the importance of design choices in controlling instability dynamics. These insights inform future drive design strategies to enhance stability and efficiency in fusion ignition experiments.

Physics↗
DOE OSTI2019

CIAE-ANL CRADA for SFR SAFETY ANALYSIS: Final CRADA Report

The purpose of this project is joint verification and validation of system analysis code capabilities for Sodium-cooled Fast Reactor (SFR) design and licensing. As the researchers and code developers at the Argonne National Laboratory (ANL) and China Institute of Atomic Energy (CIAE) independently build their own SFR system analysis capabilities, this collaboration facilitated exchange of information on, and evaluation of alternative approaches for, modeling the key phenomena (such as decay heat removal and natural circulation) and the safety-related components (such as pumps, heat exchangers, and outlet plenum) common in SFR systems. The analysis at ANL and CIAE also applied their respective computational capabilities and methods (in SAS4A/SASSYS-1 computer code at ANL and FR-Sdaso computer code at CIAE) on jointly identified benchmark problems for verification, and publicly available integral tests for validation, of their results. ANL team also shared the expertise on the established software quality assurance practices and the techniques for component reliability estimates to support probabilistic risk assessments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Integrated Energy-Water Data for Cross-Sector Resilience

This white paper focuses on the “energy-for-water” domain, addressing the urgent need for integrated, empirical data to support regional management, benchmarking, and research on improving efficiency and developing technologies for water and wastewater management systems. The costs and energy required for the supply, treatment, and distribution of water and wastewater lack a standard data collection mechanism and centralized database or storage infrastructure, limiting data-driven decision-making across interdependent infrastructure systems.

42 ENGINEERING↗
DOE OSTI2022

4-Dimensional Trackers

4-dimensional (4D) trackers with ultra fast timing (10-30 ps) and very fine spatial resolution (O(few $\mu$m)) represent a new avenue in the development of silicon trackers, enabling new physics capabilities beyond the reach of the existing tracking detectors. This paper reviews the impact of integrating 4D tracking capabilities on several physics benchmarks both in potential upgrades of the HL-LHC experiments and in several detectors at future colliders, and summarizes the currently available sensor technologies as well as electronics, along with their limitations and directions for R$\&$D.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

From Rules to Reasoning: A Survey of Large Language Model-Based Approaches to Scientific Hypothesis and Idea Generation

Scientific hypothesis generation represents a fundamental challenge in contemporary research due to exponentially expanding literature volumes and increasing disciplinary specialization. Large language models (LLMs) have emerged as transformative tools for automated scientific discovery, moving beyond traditional rule-based and literature-mining approaches. Four paradigmatic approaches define current LLM-driven hypothesis generation: direct prompting and fine-tuning methods, knowledge-enhanced frameworks integrating retrieval-augmented generation (RAG), multi-agent collaborative systems simulating research teams, and reasoning-focused approaches implementing cognitive architectures. Domain-specific applications demonstrate statistical equivalence to human expert performance in social psychology, experimental validation in biomedical research, and near-expert quality in astronomy. Evaluation methodologies encompass human expert assessment, LLM-as-judge frameworks, and comprehensive benchmarking systems. Technical challenges include hallucination management, knowledge integration limitations, and balancing novelty with feasibility. Future directions emphasize hybrid neural-symbolic architectures and sophisticated human-AI collaboration models for responsible scientific discovery acceleration.

AI-driven discovery↗
DOE OSTI2022

INL Contributions to Draft HTTF Benchmark Specifications

The High-Temperature Test Facility (HTTF) is an integral effects thermal hydraulics test facility at Oregon State University designed as a 1/4 length scale model of the Modular High-Temperature Gas-Cooled Reactor 350 MW core (mHTGR-350). In the spring and summer of 2019, several experiments were conducted at HTTF providing a valuable source of gas-cooled reactor thermal hydraulics data. Idaho National Laboratory (INL), Oregon State University, Argonne National Laboratory, and Canadian Nuclear Laboratories have partnered to use this experimental data to develop a gas-cooled reactor thermal hydraulics benchmark led by INL under the auspices of the Advanced Reactor Technologies (ART) program. This report provides some context on the benchmark, HTTF, and previous Reactor Excursions and Leak Analysis Program (RELAP)5-3D modeling of HTTF. It also provides a draft of the benchmark specifications for the Depressurized Conduction Cooldown problem, which is the INL-led benchmark problem.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Status of the International Criticality Safety Benchmark Evaluation Project

The International Criticality Safety Benchmark Evaluation Project (ICSBEP) has continued its work generating evaluations of new and historical criticality benchmark experiments since the last update to the nuclear criticality safety community at the 11th International Conference on Nuclear Criticality Safety (ICNC 2019) in Paris, France. Three additional versions of the ICSBEP Handbook have been published since that update, and the Technical Review Group (TRG) held two in-person (in 2019 and 2023) and three virtual (2020 and 2021) meetings to review and approve additional benchmarks. The 2019 edition of the ICSBEP Handbook included five new evaluations with 79 new configurations, the 2020 version of the ICSBEP Handbook contained five new evaluations totaling 76 new configurations, and the 2021 version of the ICSBEP handbook contained five new evaluations with a total of 57 different configurations. The ICSBEP TRG met in October and December 2021, to review benchmarks for potential inclusion in the 2022 ICSBEP Handbook, with seven evaluations receiving provisional approval pending resolution of review group comments. Final comment resolution for some of these evaluations is currently underway and handbook publication should be completed soon. The ICSBEP TRG met again in person in April 2023 to review benchmarks for the 2023 ICSBEP Handbook, provisionally approving 7 new evaluations. The ICSBEP continues to deliver high-quality, peer reviewed evaluations of experiments relevant to the nuclear criticality safety community.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

GriddingMachine, a database and software for Earth system modeling at global and regional scales

Land and Earth system modeling is moving towards more explicit biophysical representations, requiring increasing variety of datasets for initialization and benchmarking. However, researchers often have difficulties in identifying and integrating non-standardized datasets from various sources. We aim towards a standardized database and one-stop distribution method of global datasets. Here, we present the GriddingMachine as (1) a database of global-scale datasets commonly used to parameterize or benchmark the models, from plant traits to vegetation indices and geophysical information and (2) a cross-platform open source software to download and request a subset of datasets with only a few lines of code. The GriddingMachine datasets can be accessed either manually through traditional HTTP, or automatically using modern programming languages including Julia, Matlab, Octave, Python, and R. The GriddingMachine collections can be used for any land and Earth modeling framework and ecological research at the regional and global scales, and the number of datasets will continue to grow to meet the increasing needs of research communities.

58 GEOSCIENCES↗
DOE OSTI2015

Heavy Higgs signal–background interference in $gg\rightarrow VV$ in the Standard Model plus real singlet

For the Standard Model extended with a real scalar singlet field, the modification of the heavy Higgs signal due to interference with the continuum background and the off-shell light Higgs contribution is studied for gg → ZZ, WW → 4 lepton processes at the Large Hadron Collider. Interference effects can range from O(10%) to O(1) effects for integrated cross sections. Despite a strong cancellation between the heavy Higgs–continuum and the heavy Higgs–light Higgs interference, the full interference is clearly non-negligible and modifies the heavy Higgs line shape. A |M VV –M h2 | < Γ h2 cut mitigates interference effects to O(10%) or less. A public program that allows one to simulate the full interference is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

High Spatial Resolution Thermal Infrared Spectroscopy with ALES: Resolved Spectra of the Benchmark Brown Dwarf Binary HD 130948BC

We present 2.9–4.1 μm integral field spectroscopy of the L4+L4 brown dwarf binary HD 130948BC, obtained with the Arizona Lenslets for Exoplanet Spectroscopy (ALES) mode of the Large Binocular Telescope Interferometer. The HD 130948 system is a hierarchical triple system, in which the G2V primary is joined by two co-orbiting brown dwarfs. By combining the age of the system with the dynamical masses and luminosities of the substellar companions, we can test evolutionary models of cool brown dwarfs and extrasolar giant planets. Previous near-infrared studies suggest a disagreement between HD 130948BC luminosities and those derived from evolutionary models. We obtained spatially resolved, low-resolution (R ∼ 20) L-band spectra of HD 130948B and C to extend the wavelength coverage into the thermal infrared. Jointly using JHK photometry and ALES L-band spectra for HD 130948BC, we derive atmospheric parameters that are consistent with parameters derived from evolutionary models. We leverage the consistency of these atmospheric quantities to favor a younger age (0.50 ± 0.07 Gyr) of the system compared to the older age (0.79{sub −0.15}{sup +0.22} Gyr) determined with gyrochronology in order to address the luminosity discrepancy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Early User Test: BISON for Fission Gas Release Modeling

As a test to develop an understanding of the capabilities and input of the nuclear fuel performance code BISON, we modeled the fission gas release of the Oconee rod 15309 as there is benchmark data available for comparison. BISON has two fission gas models available, the Forsber-Massih model and the Simple Integrated Fission Gas Release and Swelling [sifgrs] model. Due to time constraints and availability of model parameters [we did not have all of the parameters for the sifgrs model already in hand] we only tested the Forsberg-Massih model. The Oconee rod test has been used in a number of benchmark studies including the integral assessment of FRAPCON 3.4. The Oconee Rod test is a 5-cycle test bundle with an average burnup of 50GWd/MTU. The FRAPCON assessment predicted that Oconee Rod15309 Test case would release 1.25% of all fission gas produced, while experimentally only 0.8% was released at EOL. Other studies using BISON with the sifgrs model have under predicted EOL fission gas release [FGR].

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗