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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Aqueous Self‐Assembly of Cylindrical and Tapered Bottlebrush Block Copolymers

The self‐assembly of amphiphilic bottlebrush block copolymers (BCPs), featuring backbones densely grafted with two types of side chains, is less well understood compared to linear BCPs. In particular, the solution self‐assembly of tapered bottlebrush BCPs—cone‐shaped BCPs with hydrophilic or hydrophobic tips—remains unexplored. This study investigates eight tapered and four cylindrical bottlebrush BCPs with varied ratios of hydrophobic polystyrene (PS) and hydrophilic poly(acrylic acid) (PAA) side chains, synthesized via sequential addition of macromonomers using ring‐opening metathesis polymerization (SAM‐ROMP). Self‐assembled nanostructures formed in water were analyzed using cryogenic transmission electron microscopy, small‐angle neutron scattering, and dynamic light scattering. Most BCPs generated multiple nanostructures with surface protrusions, including spherical micelles, cylindrical micelles, and vesicles, alongside transitional forms like ellipsoids and semi‐vesicles. Coarse‐grained molecular dynamics simulations supported the experimental findings, which revealed two distinct self‐assembly pathways. The first involved micelle fusion, producing elliptical and cylindrical aggregates, sometimes forming Y‐junctions. The second pathway featured micelle maturation into semivesicles, which developed into vesicles or large compound vesicles. This work provides the first experimental evidence of vesicle formation via semivesicles in bottlebrush BCPs and demonstrates the significant influence of cone directionality on self‐assembly behavior in these cone‐shaped polymeric amphiphiles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Feature review of photovoltaic modeling software utilizing blind performance assessment

While confidence in photovoltaic (PV) modeling software has always been essential, the rapid pace of new PV plant developments makes accuracy and credibility more critical than ever. Independent assessments, particularly through blind modeling comparisons, are therefore necessary to ensure unbiased benchmarking across PV modeling software. Previous studies have been limited by a narrow range of models compared, anonymized results, or system size. This study presents results from the first-ever onymous blind modeling comparison, evaluated using both lab- and utility-scale fixed-tilt, monofacial, south-facing systems at sub-hourly time intervals. Seven commercially used PV software tools were compared: 3E SynaptiQ, PlantPredict, PVsyst, RatedPower, SAM, SolarFarmer, and Solargis Evaluate. Predictions were submitted directly by software representatives, providing unique insights into each software’s implementation and resulting prediction behavior. Notable features, including plane-of-array (POA) transposition model, module temperature model, shading model, and performance model were analyzed and compared. Four summary tables compile these features of the software, serving as a resource to help users understand the methodological differences and select the most suitable software for their applications. The software tools show deviations from mean error in annual yield up to 2.5 % in the lab-scale system, increasing to 6.0 % for the utility-scale system. These differences arise from a combination of user decisions and the inherent behavior of the software, indicating the need for continuous and rigorous validation of modeling methods using these software tools against complex, real-world systems.

14 SOLAR ENERGY↗
DOE OSTI2025

On the Dependence of Simulated Convection on Domain Size in CRMs

Abstract We present a heuristic model to explain the suppression of deep convection in convection‐resolving models (CRMs) with a small number of grid columns, such as those used in super‐parameterized or multi‐scale modeling framework (MMF) general circulation models (GCM) of the atmosphere. Domains with few grid columns require greater instability to sustain convection because they force a large convective fraction, driving strong compensating subsidence warming. Updraft dilution, which is stronger for reduced horizontal grid spacing, enhances this effect. Thus, suppression of deep convection in CRMs with few grid columns can be reduced by increasing grid spacing. Radiative‐convective equilibrium simulations using standalone CRM simulations with the System for Atmospheric Modeling (SAM) and using GCM‐coupled CRM simulations with the Energy Exascale Earth System Model (E3SM)‐MMF confirm the heuristic model results.

CRM↗
DOE OSTI2024

Iron-molybdenum cofactor synthesis by a thermophilic nitrogenase devoid of the scaffold NifEN

The maturation and installation of the active site metal cluster (FeMo-co, Fe 7 S 9 CMo- R -homocitrate) in Mo-dependent nitrogenase requires the protein product of the nifB gene for production of the FeS cluster precursor (NifB-co, [Fe 8 S 9 C]) and the action of the maturase complex composed of the protein products from the nifE and nifN genes. However, some putative diazotrophic bacteria, like Roseiflexus sp. RS-1, lack the nifEN genes, suggesting an alternative pathway for maturation of FeMo-co that does not require NifEN. In this study, the Roseiflexus NifH, NifB, and apo-NifDK proteins produced in Escherichia coli are shown to be sufficient for FeMo-co maturation and insertion into the NifDK protein to achieve active nitrogenase. The E. coli expressed NifDK RS contained P-clusters but was devoid of FeMo-co (referred to as apo-NifDK RS ). Apo-NifDK RS could be activated for N 2 reduction by addition of preformed FeMo-co. Further, it was found that apo-NifDK RS plus E. coli produced NifB RS and NifH RS were sufficient to yield active NifDK RS when incubated with the necessary substrates (homocitrate, molybdate, and S -adenosylmethionine [SAM]), demonstrating that these proteins can replace the need for NifEN in maturation of Mo-nitrogenase. The E. coli produced NifH RS and NifB RS proteins were independently shown to be functional. The reconstituted NifDK RS demonstrated reduction of N 2 , protons, and acetylene in ratios observed for Azotobacter vinelandii NifDK. These findings reveal a distinct NifEN-independent pathway for nitrogenase activation involving NifH RS , NifB RS , and apo-NifDK RS .

Payá-Tormo, Lucía↗
DOE OSTI2024

Neutronics and Thermo-Fluids Simulation of Generic Pebble-Bed Fluoride-Salt-Cooled High-Temperature Reactor

The fluoride-salt-cooled high-temperature reactor (FHR) is one of the advanced reactors that has been attracting considerable interest from both the research community and the nuclear industry. To help facilitate the nuclear community's familiarity with the FHR, Kairos Power has developed a generic FHR (gFHR) benchmark. In the research performed here, this benchmark was used to assess innovative modeling methods that combine stochastic and deterministic computer codes to perform the design and analysis of the gFHR. Further, the Monte Carlo code Serpent 2 was used to generate few-group cross sections that were then used in the neutron diffusion and thermal-fluids code AGREE to perform full-core neutronics and thermal-fluids steady-state and transient core analysis. The Argonne National Laboratory code SAM was then used to model the gFHR system and to simulate the load-follow operation of the gFHR.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Short-Term Probabilistic Solar Forecasting via Reinforcement Learning over ECMWF

In this paper, we present an innovative reinforcement learning approach for short-term solar forecasting, leveraging data from the European Centre for Medium-Range Weather Forecasts (ECMWF). The methodology begins with the application of the System Advisor Model (SAM) to transform various ECMWF numerical weather prediction members into predictive photovoltaic power generation. To enhance the precision of deterministic forecasting, we introduce a dynamic model selection algorithm based on Q-learning. This algorithm dynamically identifies and utilizes the most accurate ensemble member for forecasting purposes. Furthermore, we employ a support vector regression surrogate model with a Gaussian distribution to generate probabilistic forecasts, providing a holistic view of solar energy generation uncertainty. To expedite the training process and make it more practical for real-world applications, we integrate a rolling update workflow. This innovative workflow reduces the training period from months to a mere 19 days, making our method highly efficient. Numerical results of the case study show that in comparison to benchmark models, the proposed method improves the deterministic and probabilistic solar forecasting accuracy by up to 40.84% and 48.42%, respectively.

ensemble forecasting↗
DOE OSTI2024

Side-by-Side Comparison of Subhourly Clipping Models

Over the past several years there have been numerous attempts at quantifying the inherent power clipping of inverters due to subhourly irradiance variability that is not captured in hourly PV performance models. Different models have been proposed to correct for these clipping losses in PV performance estimates, including matrix lookup models, distribution modeling of the PV power performance within a given hour, and machine learning methods. To date, there have been few comprehensive quantitative comparisons of these inverter clipping correction modeling approaches to evaluate the effectiveness of these approaches in predicting the actual behavior of PV system inverter clipping. In this study, we perform such a comparison, evaluating the Allen and Walker correction loss modeling approaches recently implemented in the System Advisor Model (SAM) against clipping losses modeled with 1-minute climate data. These comparisons were performed across a variety of climate locations and inverter loading ratios to thoroughly analyze the effectiveness of these modeling approaches relative to each other. Results from this analysis reveal that both clipping correction approaches improve annual energy accuracy to within 2% of 1-minute modeled energy yield. The two models predict annual clipping loss more accurately than simple hourly power limit clipping, with the Allen method typically being slightly more accurate at typical ILR values and the Walker method often being slightly more accurate at high ILR values The models can improve accuracy over the status quo clipping approach up to 3 percentage points in systems with ILR of 2.0, showing the importance of this modeling factor in energy yield estimates.

accuracy↗
DOE OSTI2025

A minimal SufB 2 C 2 complex functions as a [4Fe-4S] cluster scaffold in methanogenic archaea

Iron-sulfur clusters are essential cofactors in all domains of life, yet their biogenesis in obligately anaerobic archaea remains poorly understood. Here, we characterized the minimal two-protein SUF system in methanogenic archaea, composed solely of SufB and SufC. Using Methanococcus maripaludis as a model, we demonstrate that the SUF proteins from its native host form a stable SufB 2 C 2 heterotetramer that binds a [4Fe-4S] cluster via three conserved cysteines in SufC. Mutations of conserved cysteine and histidine residues of SufB do not impair cluster binding. The complex interacts with the SAM-containing methanogenesis marker protein 10 (MmpX), suggesting direct Fe-S cluster transfer from SufB 2 C 2 to target proteins. Mutational analysis of Methanothermococcus thermolithotrophicus proteins confirmed that SufC is the primary cluster-binding component, while SufB enhances ATPase and cluster transfer activities. Evolutionary comparisons suggest that this two-protein SUF system represents an ancestral form of Fe-S cluster biogenesis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Foundation Models for Zero-Shot Segmentation of Scientific Images without AI-Ready Data

Zero-shot and prompt-based models have excelled at visual reasoning tasks by leveraging large-scale natural image corpora, but they often fail on sparse and domain-specific scientific image data. We introduce Zenesis, a no-code interactive computer vision platform designed to reduce data readiness bottlenecks in scientific imaging workflows. Zenesis integrates lightweight multimodal adaptation for zero-shot inference on raw scientific data, human-in-the-loop refinement, and heuristic-based temporal enhancement. We validate our approach on Focused Ion Beam Scanning Electron Microscopy (FIB-SEM) datasets of catalyst-loaded membranes. Zenesis outperforms baselines, achieving an average accuracy of 0.947, Intersection over Union (IoU) of 0.858, and Dice score of 0.923 on amorphous catalyst samples; and 0.987 accuracy, 0.857 IoU, and 0.923 Dice on crystalline samples. These results represent a significant performance gain over conventional methods such as Otsu thresholding and standalone models like the Segment Anything Model (SAM). Zenesis enables effective image segmentation in domains where annotated datasets are limited, offering a scalable solution for scientific discovery.

Mukherjee, Shubhabrata↗
DOE OSTI2024

pnnl/SuperSAM

Our SuperSAM approach transforms the Segment Anything Model (SAM) into an `elastic' supernetwork, enabling the derivation of subnetworks with varying architectures tailored to a wide range of resource constraints.

Tallent, Nathan↗
DOE OSTI2025

fife-utils

This is a collection of scripts related to the FIFE project at Fermilab, including utiltities for performing bulk oprations with our SAM and MetaCat (github)data handling systems. The most heavily used is the fife_launch/fife_wrap script pair, which is used to convert physics analysis executables into distributed grid jobs.

Mengel, Marc [Fermi National Accelerator Laborator↗
DOE OSTI2026

Manipulation of the orbital angular momentum of soft X-ray beams by consecutive diffractive optics

Production and manipulation of orbital angular momentum (OAM) of coherent soft X-ray beams is demonstrated utilizing consecutive diffractive optics. OAM addition is observed upon passing the beam through consecutive fork gratings. Here, the OAM of the beam was found to be decoupled from its spin angular momentum (SAM). Practical implementation of angular momentum control by consecutive devices in the X-ray regime opens new experimental opportunities, such as direct measurement of the beam’s OAM without resorting to phase-sensitive techniques, including holography. OAM analyzers utilizing fork gratings can be used to characterize the beams produced by synchrotron and free electron lasers sources; they can also be used in scattering experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

ARM shortwave spectrometers to study the clear-cloud transition zone and mixing processes

The proposed research is a collaborative effort between NASA/Goddard Space Flight Center and the Hebrew University of Jerusalem. While the NASA team focused on analyzing ground-based hyper-spectral radiance observations to understand cloud edge properties and their connection to mixing processes, the Hebrew University team tackled the problem through cloud modeling activities. By approximating the shortwave spectra in the cloud-clear transition zone as a linear combination of purely clear and purely cloudy spectra we can characterize the variations of cloud optical thickness and cloud droplet effective radius in the transition zone. When applying this method to the measurements of a ground-based shortwave spectroradiometer at the ARM’s SGP site, representing continental conditions, and MAGIC field campaign between Log Angeles, California and Honolulu, Hawaii, representing maritime scenarios, we found that cloud optical depth consistently decreases in both cases, but droplet size decreases much more substantially for the continental regime, suggesting different mixing processes for the continental and maritime conditions. The investigation and measurements of radiation clouds were coupled with a unique cloud modeling. A novel spectral bin microphysics was developed and implemented to the System of Atmospheric Modeling (SAM). In order to resolve cloud transition zones with high spatial gradients of microphysical variables a unique high resolution (10 m) was used in simulations. The model calculates droplet size distributions in each grid point. The model output was transferred to the NASA/GSFC team for utilization in radiative calculations and testing of both radiative algorithm and model representation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Sodium-Cooled Fast Reactor Reference Plant Model

This report details the progress of Idaho National Laboratory (INL) in creating a reference plant multiphysics model for the Advanced Burner Test Reactor (ABTR). This model was developed under Task 13 of the U.S. Nuclear Regulatory Commission project “Development and Modeling Support for Advanced Non-Light Water Reactors,” and is an extension of the reference plant model developed in Task 4b, which was improved upon in the following ways. (1) The discrete ordinates method was used in lieu of the super-homogenization (SPH)-corrected diffusion approximation in order to better capture the anisotropic scattering contribution and the neutron leakage change due to thermal expansion. (2) The novel neutronic spatial discretization approach, termed the ring-heterogeneous (RH) approximation, was conceptualized and introduced to capture the differential expansion of the materials in the core. This new technique proved capable of preserving fission rates and maintaining the eigenvalue within 2.5% and 266 pcm with 9 neutron energy groups, respectively. Separating the different materials in the core enables the differential expansion of materials to be explicitly accounted for, eliminating the need for problem-specific cross-section functionalization techniques. (3) The SAM model for the core and system thermal-hydraulics analysis was updated to include 61 channels instead of just four representative ones. This enables users to obtain improved spatial resolution for sodium temperature and density scalar fields. (4) All the mesh files were created via the Multiphysics Object-Oriented Simulation Environment (MOOSE) Reactor module, eliminating all reliance on external tools for mesh creation. (5) Finally, the fuel axial expansion now leverages the HT9 and UPuZr material properties that have been validated against experimental data. The reference plant model was used to perform a full-core unprotected loss of flow (ULOF) transient calculation, including neutronics, thermal and mechanical feedback mechanisms. Future work will be devoted to further enhancements of the model. Potential improvements to the model include the addition of the control rod driveline expansion feedback and the upgrading of the support plate model so as to explicitly include 3D effects. Additionally, a Nuclear Energy Advanced Modeling and Simulation funded parallel effort has completely automated the creation of the ring-heterogeneous (RH) mesh from the fully heterogeneous (FH) geometry, thus maximizing user friendliness for the sodium fast reactor sodium-cooled fast reactor (SFR) workflow and will be incorporated in future work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

System Level Analysis Software Validation with Argonne's THETA Experimental Facility (Final CRADA Report)

Under this CRADA, the Contractor will be generating and collecting sodium-based experimental data with modern instrumentation. The Contractor will work symbiotically with the Participant to generate SAS4A/SASSYS-1 and SAM computational models of the THETA experimental facility for validation of the system-level analysis codes utilized by Oklo, Inc. This effort will be specifically focused on the design basis event space scoped by Chapter 15 of the NRC’s Standard Review Plan (NUREG-0800) with an emphasis on natural circulation and thermal stratification phenomena in a prototypic sodium-cooled fast reactor (SFR).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Investigation of Numerical Methods for Performance Improvement of MOOSE-based System Analysis Codes

The main objective of this study is to investigate the feasibility of implementation of staggered-grid finite volume method (SG-FVM) using the MOOSE framework to support the development of the advanced system analysis code SAM. This study successfully demonstrated the integration of staggered-grid finite volume method in the application level using the MOOSE framework, although not in the framework level which should be investigated in the future. Several important properties of the implemented SG-FVM, e.g., high-order spatial accuracy and monotonicity preserving, have been demonstrated with selected numerical test cases. The superior performance in execution time was also evident based on a selected one- dimensional flow problem in a loop configuration.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

FY24: Progress Report on the MELCOR Modeling of the Liquid Salt Test Loop

This report outlines the activities conducted in FY24 focused on updating the liquid salt test loop (LSTL) model through the integration of a new test section featuring 16 radial tubes coupled to a filter section. Some comparative analyses of the updated model with existing experimental data for the LSTL was made and benchmarked against other computational tools, such as the ORNL code, SAM. These actions are part of a comprehensive validation effort and promote collaboration among laboratories participating in the Molten Salt Reactor (MSR) campaign.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Bubble Mass Transport Measurement in the Large-Scale Test Loops at Oak Ridge National Laboratory

Molten salts are complex fluids that incorporate multi-phase behavior depending on the chemistry and the physical properties of the entrained components. These components include the carrier salt, the actinide fuel, and fission, activation, and corrosion products, the concentrations of which depends on the burnup history of the salt. Radionuclide transport from the salt into the cover gas / off-gas system depends on volatility as predicted by thermochemistry, but data from the Molten Salt Reactor Experiment (MSRE) conducted in the late 1960s suggest that bubble formation and transport are also important. Anomalously high fractions of noble metals were found in the off-gas system and were attributed to transportation with parent salt aerosols and their association with rising noble gas bubbles. The prediction of such phenomena requires coupled neutronic, thermal hydraulic, and chemical equilibrium calculations, the framework of which is being developed within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program supported by the US Department of Energy (DOE) Office of Nuclear Energy (NE). However, separate effects tests and models of experiments using tools such as SAM and Thermochimica can guide model developers through important processes. Conversely, model development guides the choice of experiments and systems to provide data that are relevant for validation. This report describes several experiments that tracked gas transport in molten salts, ranging from small-scale systems to large-scale loops. Gas transportation in a molten salt, LiCl-KCl, has been studied using the shadowgraph technique. Sensors such as residual gas analysis, Raman spectroscopy, and laser-induced breakdown spectroscopy have been tested for off-gas measurements. These data were used to interpret how the gases move through the upstream salt / cover gas and the interface between them. Differential pressure measurements were able to detect individual gas bubbles as they popped at the liquid–gas interface. Salt aerosols were collected on a cascade impactor. Their formation was also observed directly via the shadowgraph method, and most of these aerosols were launched ballistically into the cover gas. Fine mists could also be observed. Convection currents through the salt were visualized and can be used to calculate the thermophysical properties of the salt itself. The apparatuses described in this report and in a previous work (McFarlane et al. 2023) have been commissioned and are available for use in making further measurements of salt/surrogate fission product behavior. Novel approaches using neutron imaging are planned for the study of fluoride salts, which cannot be contained in quartz, so shadowgraph visualization is not available. Bubble transport in convective flow and in a slow-moving salt column are planned. The mobile laser-induced breakdown spectroscopy (LIBS) system is available for several applications, including iodine capture in a molten hydroxide scrubber, H2 transport though molten salts to complement Raman analysis, and online tracking of salt aerosol generation, transport, and deposition. This report summarizes the findings from FY24 and the plans for FY25. The work completes milestone M2AT-24OR0702013 of the DOE-NE Advanced Reactor Technology, Molten Salt Reactor Campaign, DOE-NE-5.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗