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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↗

DOE OSTI2025

Introducing a multiscale feature integration network for inpainting with applications to enhanced CMB map reconstruction

We introduce a novel neural network, SkyReconNet, which combines the expanded receptive fields of dilated convolutional layers along with standard convolutions, to capture both the global and local features for reconstructing the missing information in an image. We implement our network to inpaint the masked regions in a full-sky cosmic microwave background (CMB) map. Inpainting CMB maps is a particularly formidable challenge when dealing with extensive and irregular masks, such as galactic masks which can obscure substantial fractions of the sky. The hybrid design of SkyReconNet leverages the strengths of standard and dilated convolutions to accurately predict CMB fluctuations in the masked regions by effectively utilizing the information from surrounding unmasked areas. During training, the network optimizes its weights by minimizing a composite loss function that combines the structural similarity index measure (SSIM) and mean squared error (MSE). SSIM preserves the essential structural features of the CMB, ensuring an accurate and coherent reconstruction of the missing CMB fluctuations, while MSE minimizes the pixelwise deviations, thus enhancing the overall accuracy of the predictions. The predicted CMB maps and their corresponding angular power spectra align closely with the targets, achieving the performance limited only by the fundamental uncertainty of cosmic variance. The network’s generic architecture enables application to other physics-based challenges involving data with missing or defective pixels, systematic artifacts, etc. In conclusion, our results demonstrate its effectiveness in addressing the challenges posed by large irregular masks, offering a significant inpainting tool not only for CMB analyses but also for image-based experiments across disciplines where such data imperfections are prevalent.

Cosmic microwave background↗

NASA NTRSDate not supplied

Overlap Preservation Using Loosely-Coupled Boundary Conditions for Body-Fitted Structured Overset Grids

Several improvements are made to overlap preservation in the automated approach to generating overset structured meshes. A loosely-coupled boundary condition (LCBC) is introduced to maintain optimal overlap for surface meshes generated from overlapping initial curves. Extension of the LCBC scheme to three-dimensional volume meshing is also presented. Test cases include various rotary wing vehicles from NASA’s Revolutionary Vertical Lift Technology (RVLT) project, and the wing-body geometry from the NASA Juncture Flow Experiment. Results demonstrate improvements in donor stencil quality from the enhanced overlap between neighboring surface and volume meshes.

TTT↗

DOE OSTI2024

Hierarchical Biogenic-Based Thermal Insulation Foam

Biogenic-based foam, renowned for its sustainable and eco-friendly properties, is emerging as a promising thermal insulating material with the potential to significantly enhance energy efficiency and sustainability in building applications. However, its relatively high thermal conductivity, large-pore configurations, and energy-intensive manufacturing processes hinder its widespread use. Here, we report on the scalable, one-pot synthesis of biogenic foams achieved by integrating recycled paper pulp and in situ nanoporous silica formation, resulting in a hierarchical structure comprising both micropores and nanopores. Ambient solvent-exchange drying can preserve the pore structure by reducing the capillary forces during the drying process. The resulting flame-retardant and hydrophobic foam exhibits low density (0.110 g/cm 3 ), ideal porosity (70.69%), excellent thermal conductivity (0.033 W/(m·K)), and impressive compressive strength (1.48 MPa at 80% strain). Furthermore, this recyclable biogenic foam, with its hierarchical pore structure and environmental durability, shows great potential for energy-efficient building applications.

36 MATERIALS SCIENCE↗

NASA NTRS1986

Deformational sequence of a portion of the Michipicoten greenstone belt, Chabanel Township, Ontario

Detailed mapping at a scale of one inch = 400 feet is being carried out within a fume kill, having excellent exposure, located in the southwestern portion of the Michipicoten Greenstone Belt near Wawa, Ontario. The rocks are metasediments and metavolcanics of lower greenschist facies. U-Pb geochronology indicates that they are at least 2698 + or - 11 Ma old. The lithologic packages strike northeast to northwest, but the dominant strike is approximately east-west. Sedimentary structures and graded bedding are well preserved, aiding in the structural interpretation of this multiply deformed area. At least six phases of deformation within a relatively small area of the Michipicoten Greenstone Belt have been tentatively identified. These include the following structural features in approximate order of occurrence: (0) soft-sediment structures; (1) regionally overturned rocks, flattened pebbles, bedding parallel cleavage, and early, approximately bedding parallel faults; (2) northwest to north striking cleavage; (3) northeast striking cleavage and associated folds, and at least some late movement on approximately bedding parallel faults; (4) north-northwest and northeast trending faults; and (5) diabase dikes and associated fracture cleavages. Minor displacement of the diabase dikes occurs on faults that appear to be reactivated older structures.

Shrady, C. H.↗

NASA NTRS1990

Electric power scheduling: A distributed problem-solving approach

Space Station Freedom's power system, along with the spacecraft's other subsystems, needs to carefully conserve its resources and yet strive to maximize overall Station productivity. Due to Freedom's distributed design, each subsystem must work cooperatively within the Station community. There is a need for a scheduling tool which will preserve this distributed structure, allow each subsystem the latitude to satisfy its own constraints, and preserve individual value systems while maintaining Station-wide integrity. The value-driven free-market economic model is such a tool.

Mellor, Pamela A.↗

NASA NTRS1990

Electric power scheduling - A distributed problem-solving approach

Mellor, Pamela A.↗

NASA NTRS1992

The Manson impact structure - Its contribution to impact materials observed at the Cretaceous/Tertiary boundary

The Manson impact structure (MIS) in Iowa is an excellently preserved complex crater that formed 65.7 Ma ago at the K/T boundary. Drill and seismic data have been used to identify three primary terranes within the 35-km diameter crater: (1) an outermost ring graben composed of listric normal fault blocks that structurally preserve Paleozoic and Cretaceous strata, impact ejecta, and possibly earliest Tertiary lake sediments; (2) a crater moat region of slumped and fallback materials overlain by Tertiary lake sediments in most areas; and (3) a central peak of uplifted basement rock capped in many areas by impact breccia. It is argued that concentrations of Ir at a K/T boundary exposure near Gubbio, Italy and clasts of glass reported from the K/T boundary in Haiti are consistent with possible production in the MIS.

Anderson, Raymond R.↗

NASA NTRS2006

Chemical Mapping of Proterozoic Organic Matter at Sub-Micron Spatial Resolution

We have used a NanoSIMS ion microprobe to map sub-micron-scale distributions of carbon, nitrogen, sulfur, silicon, and oxygen in organic microfossils and laminae from the approximately 0.85 Ga Bitter Springs Formation of Australia. The data provide clues about the original chemistry of the microfossils, the silicification process, and biosignatures of specific microorganisms and microbial communities. Chemical maps of fossil unicells and filaments reveal distinct wall-and sheath-like structures enriched in C, N and S, consistent with their accepted biological origin. Surprisingly, organic laminae, previously considered to be amorphous, also exhibit filamentous and apparently compressed spheroidal structures defined by strong enrichments in C, N and S. By analogy to data from the well-preserved microfossils, these structures are interpreted as being of biological origin, most likely representing densely packed remnants of microbial mats. Because the preponderance of organic matter in Precambrian sediments is similarly "amorphous," our findings open a large body of generally neglected material to in situ structural, chemical, and isotopic study. Our results also offer new criteria for assessing biogenicity of problematic kerogenous materials and thus can be applied to assessments of poorly preserved or fragmentary organic residues in early Archean sediments and any that might occur in meteorites or other extraterrestrial samples.

Oehler, Dorothy Z.↗

NASA NTRS1990

Structural behavior of composites with progressive fracture

Structural characteristics such as natural frequencies and buckling loads with corresponding mode shapes were investigated during progressive fracture of multilayer, angle-plied polymer matrix composites. A computer program was used to generate the numerical results for overall mechanical response of damaged composites. Variations in structural characteristics as a function of the previously applied loading were studied. Results indicate that most of the overall structural properties were preserved throughout a significant proportion of the ultimate fracture load. For the cases studied, changes in structural behavior began to occur after 70 percent of the ultimate fracture load was applied. However, the individual nature of the structural change was rather varied depending on the laminate configuration, fiber orientation, and the boundary conditions.

Minnetyan, Levon↗

DOE OSTI2024

Enriched Molecular-Level View of Saline Wetland Soil Carbon by Sensitivity-Enhanced Solid-State NMR

Soil organic matter (SOM) plays a major role in mitigating greenhouse gas emission and regulating earth’s climate, carbon cycle, and biodiversity. Wetland soils account for one-third of all SOM; however, globally, coastal wetland soils are eroding faster due to increasing sea-level rise. Our understanding of carbon sequestration dynamics in wetlands lags behind that of upland soils. Here, we employ solid-state nuclear magnetic resonance (ssNMR) to investigate the molecular-level structure of biopolymers in wetland soils spanning 11 centuries. High-resolution multidimensional spectra, enabled by dynamic nuclear polarization (DNP), demonstrate enduring preservation of molecular structures within herbaceous plant cores, notably condensing aromatic motifs and carbohydrates, even over a millennium, with the preserved cores constituting a decreasing minority among molecules from decomposition and repolymerization with depth and age. Such preserved cores occur alongside molecules from the decomposition of loosely packed parent biopolymers. These findings emphasize the relative vulnerability of coastal wetland SOM when exposed to oxygenated water due to geological and anthropogenic changes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Correlative montage parallel array cryo-tomography for in situ structural cell biology

Abstract Imaging large fields of view while preserving high-resolution structural information remains a challenge in low-dose cryo-electron tomography. Here we present robust tools for montage parallel array cryo-tomography (MPACT) tailored for vitrified specimens. The combination of correlative cryo-fluorescence microscopy, focused-ion-beam milling, substrate micropatterning, and MPACT supports studies that contextually define the three-dimensional architecture of cells. To further extend the flexibility of MPACT, tilt series may be processed in their entirety or as individual tiles suitable for sub-tomogram averaging, enabling efficient data processing and analysis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

A Micrometer‐Sized Silicon/Carbon Composite Anode Synthesized by Impregnation of Petroleum Pitch in Nanoporous Silicon

Porous silicon (Si)/carbon nanocomposites have been extensively explored as a promising anode material for high-energy lithium (Li)-ion batteries (LIBs). However, shrinking of the pores and sintering of Si in the nanoporous structure during fabrication often diminishes the full benefits of nanoporous Si. Herein, a scalable method is reported to preserve the porous Si nanostructure by impregnating petroleum pitch inside of porous Si before high-temperature treatment. The resulting micrometer-sized Si/C composite maintains a desired porosity to accommodate large volume change and high conductivity to facilitate charge transfer. It also forms a stable surface coating that limits the penetration of electrolyte into nanoporous Si and minimizes the side reaction between electrolyte and Si during cycling and storage. A Si-based anode with 80% of pitch-derived carbon/nanoporous Si enables very stable cycling of a Si||Li(Ni0.5Co0.2Mn0.3)O 2 (NMC532) battery (80% capacity retention after 450 cycles). It also leads to low swelling in both particle and electrode levels required for the next generation of high-energy LIBs. In conclusion, the process also can be used to preserve the porous structure of other nanoporous materials that need to be treated at high temperatures.

anode materials↗

DOE OSTI2025

Tailored Additive Design of Scaffold‐Free Porous Mg for Ultimate Hydrogen Storage

For hydrogen storage materials to become practically viable, comprehensive improvements in key properties—kinetics, thermodynamics, thermal transport, and durability—are crucial. Porous Mg structure has been proposed as a promising strategy due to its high storage capacity and ability to accommodate volume expansion. However, challenges such as sluggish kinetics and structural degradation resulting from instability due to vacant sites still remain. In this study, a tailored design of porous Mg structure with site-specific transition metal dual-doping and structure-reinforced carbon nanotube (CNT)-framework is presented for optimal hydrogen storage. Ti and Ni are strategically deposited on the surface to synergistically enhance hydrogen sorption kinetics by facilitating hydrogen dissociation and diffusion, while CNTs are interpenetrated into 3D Mg structure for improving thermal conductivity and maintaining the porous structure. The resulting composite demonstrates exceptional performance, achieving hydrogen absorption and desorption of 4.8 and 5.8 wt%, respectively, within 10 min with an impressively low activation energy for absorption of 46 kJ mol −1 H 2 . Even after 50 cycles, its capacity and porous structure are well preserved, showing excellent cyclability in comparison with previously reported materials. In conclusion, this delicate design strategy based on a comprehensive understanding of structural and chemical characteristics is key to maximizing the targeted performance.

CNT embedding↗

NASA NTRS2005

Mars, Always Cold, Sometimes Wet: New Constraints on Mars Denudation Rates and Climate Evolution from Analog Studies at Haughton Crater, Devon Island, High Arctic

Analysis of crater modification on Mars and at Haughton Crater, Devon Island, High Arctic, which was recently shown to be significantly older than previously believed (Eocene age instead of Miocene) [1], suggest that Mars may have never been climatically wet and warm for geological lengths of time during and since the Late Noachian. Impact structures offer particularly valuable records of the evolution of a planet s climate and landscape through time. The state of exposure and preservation of impact structures and their intracrater fill provide clues to the nature, timing, and intensity of the processes that have modified the craters since their formation. Modifying processes include weathering, erosion, mantling, and infilling. In this study, we compare the modification of Haughton through time with that of impact craters in the same size class on Mars. We derive upper limits for time-integrated denudation rates on Mars during and since the Late Noachian. These rates are significantly lower than previously published and provide important constraints for Mars climate evolution.

Lee, Pascal↗

DOE OSTI2022

Adsorption and Catalytic Activity of Gold Nanoparticles in Mesoporous Silica: Effect of Pore Size and Dispersion Salinity

The assembled state of nanoparticles (NPs) within porous matrices plays a governing role in directing their biological, electronic, and catalytic properties. However, the effects of the spatial confinement and environmental factors, such as salinity, on the NP assemblies within the pores are poorly understood. In this study, we use adsorption isotherms, spectrophotometry, and small-angle neutron scattering to develop a better understanding of the effect of spatial confinement on the assembled state and catalytic performance of gold (Au) NPs in propylamine-functionalized SBA-15 and MCM-41 mesoporous silica materials (mSiO 2 ). We carry out a detailed investigation of the effect of pore diameter and ionic strength on the packing and spatial distribution of AuNPs within mSiO 2 to get a comprehensive insight into the structure, functioning, and activity of these NPs. We demonstrate the ability of the adsorbed AuNPs to withstand aggregation under high salinity conditions. We attribute the observed preservation of the adsorbed state of AuNPs to the strong electrostatic attraction between oppositely charged pore walls and AuNPs. The preservation of the structure allows the AuNPs to retain their catalytic activity for a model reaction in high salinity aqueous solution, here, the reduction of p-nitrophenol to p-aminophenol, which otherwise is significantly diminished due to bulk aggregation of the AuNPs. This fundamental study demonstrates the critical role of confinement and dispersion salinity on the adsorption and catalytic performance of NPs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Spectroscopic characterization of electronic structures of ultra-thin single crystal La0.7Sr0.3MnO3

Abstract We have successfully fabricated high quality single crystalline La 0.7 Sr 0.3 MnO 3 (LSMO) film in the freestanding form that can be transferred onto silicon wafer and copper mesh support. Using soft x-ray absorption (XAS) and resonant inelastic x-ray scattering (RIXS) spectroscopy in transmission and reflection geometries, we demonstrate that the x-ray emission from Mn 3 s -2 p core-to-core transition (3 s PFY) seen in the RIXS maps can represent the bulk-like absorption signal with minimal self-absorption effect around the Mn L 3 -edge. Similar measurements were also performed on a reference LSMO film grown on the SrTiO 3 substrate and the agreement between measurements substantiates the claim that the bulk electronic structures can be preserved even after the freestanding treatment process. The 3 s PFY spectrum obtained from analyzing the RIXS maps offers a powerful way to probe the bulk electronic structures in thin films and heterostructures when recording the XAS spectra in the transmission mode is not available.

36 MATERIALS SCIENCE↗

NASA NTRS2004

Design Analysis and Thermo-Mechanical Fatigue of a Polyimide Composite for Combustion Chamber Support

Polyimide composites are being evaluated for use in lightweight support structures designed to preserve the ideal flow geometry within thin shell combustion chambers of future space launch propulsion systems. Principles of lightweight design and innovative manufacturing techniques have yielded a sandwich structure with an outer face sheet of carbon fiber polyimide matrix composite. While the continuous carbon fiber enables laminated skin of high specific stiffness; the polyimide matrix materials ensure that the rigidity and durability is maintained at operation temperatures of 316 C. Significant weight savings over all metal support structures are expected. The protypical structure is the result of ongoing collaboration, between Boeing and NASA-GRC seeking to introduce polyimide composites to the harsh environmental and loads familiar to space launch propulsion systems. Design trade analyses were carried out using relevant closed form solutions, approximations for sandwich beams/panels and finite element analysis. Analyses confirm the significant thermal stresses exist when combining materials whose coefficients of thermal expansion (CTEs) differ by a factor of about 10 for materials such as a polymer composite and metallic structures. The ramifications on design and manufacturing alternatives are reviewed and discussed. Due to stringent durability and safety requirements, serious consideration is being given to the synergistic effects of temperature and mechanical loads. The candidate structure operates at 316 C, about 80% of the glass transition temperature T(sub g). Earlier thermomechanical fatigue (TMF) investigations of chopped fiber polyimide composites made this near to T(sub g), showed that cyclic temperature and stress promoted excessive creep damage and strain accumulation. Here it is important to verify that such response is limited in continuous fiber laminates.

Thesken, J. C.↗