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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 73 records · Page 4

Direct observation of twisted stacking domains in the van der Waals magnet CrI 3

Van der Waals (vdW) stacking is a powerful technique to achieve desired properties in condensed matter systems through layer-by-layer crystal engineering. A remarkable example is the control over the twist angle between artificially-stacked vdW crystals, enabling the realization of unconventional phenomena in moiré structures ranging from superconductivity to strongly correlated magnetism. Here, we report the appearance of unusual 120° twisted faults in vdW magnet CrI 3 crystals. In exfoliated samples, we observe vertical twisted domains with a thickness below 10 nm. The size and distribution of twisted domains strongly depend on the sample preparation methods, with as-synthesized unexfoliated samples showing tenfold thicker domains than exfoliated samples. Cooling induces changes in the relative populations among different twisting domains, rather than the previously assumed structural phase transition to the rhombohedral stacking. The stacking disorder induced by sample fabrication processes may explain the unresolved thickness-dependent magnetic coupling observed in CrI 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

ZTF SN Ia DR2: An environmental study of Type Ia supernovae using host galaxy image decomposition

The second data release of Type Ia supernovae (SNe Ia) observed by the Zwicky Transient Facility has provided a homogeneous sample of 3628 SNe Ia with photometric and spectral information. This unprecedented sample size enables us to better explore our currently tentative understanding of the dependence of the host environment on SN Ia properties. In this paper, we make use of two-dimensional image decomposition to model the host galaxies of SNe Ia. We model elliptical galaxies as well as disc and spiral galaxies with or without central bulges and bars. This allows for the categorisation of SN Ia based on their morphological host environment, as well as the extraction of intrinsic galaxy properties corrected for both cosmological and atmospheric effects, through point-spread-function (PSF) convolution. We find that although this image decomposition technique leads to a significant bias towards elliptical galaxies in our final sample of processed galaxies, the overall results are still robust. By successfully modelling 728 host galaxies, we find that the photometric properties of SNe Ia found in discs and in elliptical galaxies correlate fundamentally differently with their host environment. We identified strong linear relations between light-curve stretch and our model-derived galaxy colour for both the elliptical (16.8σ) and disc (5.1σ) subpopulations of SNe Ia. Lower-stretch SNe Ia are found in redder environments, which we identify as an age and/or metallicity effect. Within the subpopulation of SNe Ia found in disc-containing galaxies, we find a significant linear trend (6.1σ) between light-curve stretch and model-derived local r-band surface brightness, which we link to the age and metallicity gradients found in disc galaxies. SN Ia colour shows little correlation with the host environment, as is seen in the literature. We do identify a possible dust effect in our model-derived surface brightness (3.3σ) for SNe Ia in disc galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Compact in situ probe for magnetotransport measurements of 2D materials under variable tensile strain

The recent development of freestanding oxide membranes has opened new opportunities for strain engineering of transition metal oxides beyond values accessible in bulk samples. While a number of studies have been performed with fixed strain, the ability to dynamically control the strain state during measurement would be greatly enabling. To this end, we present an in situ uniaxial strain probe optimized for transport measurements of tensile-strained 2D or quasi-2D materials down to 2 K. Utilizing a flexible polyimide substrate as the stress transfer medium, our platform simplifies the sample preparation process and allows precise alignment of strain fields relative to the crystalline axes. An in situ optical microscope monitors the macroscopic strain state operando and makes it possible to complete an entire magnetotransport study at cryogenic temperatures under continuous strain variations. We demonstrate the capabilities of the probe on a freestanding LaNiO 3 membrane, where we induce tensile strain up to 8% and observe a corresponding strong transport anisotropy. In view of the rapid developments in low-dimensional materials synthesis and the plethora of novel quantum phenomena they exhibit, this strain probe provides general instrumentation for examining and controlling these properties via strain.

2D materials↗

Operando Freezing Cryogenic Electron Microscopy of Active Battery Materials

Abstract Understanding structural and chemical evolution of battery materials during operation is critical to achieving safe, efficient, and long-lasting energy storage. Cryogenic electron microscopy (cryo-EM) has become a valuable tool in battery characterization, leveraging low temperatures to improve stability of sensitive materials under electron beam irradiation. However, typical cryo-EM sample preparations leave extended time between the electrochemical point of interest and ex situ freezing of samples, during which active structures may relax, degrade, or otherwise evolve. Here, we detail a method for operando freezing cryo-EM to preserve and characterize native electrode and interfacial structures that arise during battery cycling, based on an operando plunge freezer and cold sample removal process. We validate the method on multiple electrode materials and quantify and discuss the freezing rate achieved. Operando freezing cryo-EM can be used to directly visualize transient features that arise at active electrochemical interfaces, to enable deeper understanding of structural evolution and interfacial chemistry in batteries and other electrochemical systems.

25 ENERGY STORAGE↗

Accelerating the identification of novel secondary metabolites in bioenergy plant root exudates using MicroED

Small molecule metabolites drive inter- and intraspecies communication and dependencies in diverse biological systems, yet a large proportion of these important chemical compounds remain uncharacterized in plants and microbes. Approximately 90% of the metabolites in root exudate profiles are unknown compounds, despite the importance of root exudate composition in plant-microbe interactions. We need advanced analytical capabilities that will support rapid discovery and structural elucidation of metabolites from biological samples that may be limited in quantity and high in complexity. To fill this gap, this project aimed to develop an integrated workflow involving metabolite extraction, separation, and crystallization from plant root exudates followed by characterization using nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and microcrystal electron diffraction (MicroED). Using crude root exudates from sorghum, this project successfully developed higher throughput exudate fractionation strategies to obtain pure compounds for crystallization and identified crystals in multiple fractions that diffracted. Additional efforts to increase the throughput of high-quality crystal generation for MicroED, such as crystallization screening and crystallization chaperone exploration, will be needed to further advance root exudate metabolite identification. The overall optimized sample preparation process can then be integrated with the existing data collection and data analysis pipelines for MicroED at PNNL to facilitate more rapid natural product discovery.

59 BASIC BIOLOGICAL SCIENCES↗

APPLICATION OF INDUCTIVELY COUPLED PLASMA MASS SPECTROMETRY IN THE ANALYSIS OF PLUTONIUM CONTENT OF FAST CRITICAL ASSEMBLY FUEL DISPOSITION

Outline • Fast Critical Assembly (FCA) Plutonium Fuel Disposition • Brief campaign overview • Savannah River National Laboratory • Analytical capabilities and instrumentation • Typical FCA sample analysis process • Plutonium analysis by quadrupole-inductively coupled plasma-mass spectrometry (Q-ICP-MS) • Method description/development • Instrumentation • Data/control charts

Bonilla, Henry J. [Savannah River National Laborat↗

High-Throughput Characterization Tools/Algorithms To Outline Porosity Variability in AM Samples as a Function of Processing Conditions

This report documents the development and deployment of advanced algorithms and tools that enable high-throughput characterization for metal additive manufacturing (AM), with a particular focus on process parameter optimization and material/part qualification for nuclear applications. While the method ologies presented support diverse characterization techniques, the majority of the work is centered on AI-driven algorithms for X-ray computed tomography (XCT) to accelerate defect detection and materials analysis at scale.

36 MATERIALS SCIENCE↗

Zeteotech, LLC TRGR Project Final Report

Reliable detection of aerosolized pathogens is difficult due to need to distinguish between the benign bioaerosols such as dander and pollen and the thousands of pathogens capable of infecting people. Accurate identification of airborne pathogens of concern in the past has required the collection of aerosol samples in a filter, periodic collection of the samples, and processing and identification in the laboratory. This process is labor intensive and expensive. Additionally, this method necessarily has a time to detection window of hours to days depending on the collection frequency. Biological pathogens have an incubation period before the onset of symptoms and severe health effects and/or mortality, people will typically be exposed to them without realizing it. This has resulted in a detect to treat strategy for protection against bio releases. While prophylactic measures can still be effective over these time scales, reducing the time to detection will significantly improve the effectiveness of these measures and subsequently reduce the consequences of a release. Various attempts to reduce the time to detection and identification have been plagued by highly undesirable false-positives which degrade confidence in the system. Zeteotech, LLC has developed a mass spectrometer based bioaerosol sensing system which is capable of autonomously identifying airborne pathogens of concern and alert authorities within minutes instead of hours to days. They have deployed these instruments to protect high-risk facilities by alerting authorities of public health events and intentional bioterrorism events in near real time. This makes it possible to more accurately identify the time and location of the release and minimize the number of people that are exposed through prompt quarantining of affected areas.

47 OTHER INSTRUMENTATION↗

Microbial Co-Culture Control Proteomics (MC-DP1)

Co-cultured S. elongatus PCC 7942 CscB/SPS and R. toruloides IFO0880 presented as an effective photosynthesis-driven biofuel production platform. The goal of this experiment was to understand the molecular mechanism of this co-culture system at redox post-translational modification level. The redox proteome of the co-cultured strains was compared to a mono-cultured S. elongatus in light or dark conditions. Samples were processed using a resin-assisted capture (RAC) workflow with TMT labeling to enrich and quantify modified cysteines at proteome level. The datasets were generated by a Q Exactive Plus Orbitrap Mass Spectrometer coupled with a Waters nanoAcquity UPLC, then searched by MSGF+ for downstream redox PTM analysis.

Source record↗

RhizoGrid Indexed Sorghum Rhizosphere Multi-Omics

PerCon SFA project data dentification of spatially resolved biomarkers of drought in Sorghum bicolor rhizosphere molecular-microbe interactions using a novel root cartography "RhizoGrid" system for sampling plants under drought and control conditions across 10 equally sized root zone environments (4 quadrants each). Each quadrant was sampled and processed for 16S amplicon, metabolomics, and X-ray computed tomography (XCT). Data download includes experimental metadata and results files for 16S rRNA sequence analysis of microbial community assembly (processed data files), liquid chromatography mass spectrometry (LC-MS) metabolomics analysis of microbial community root exudates (processed data files), X-ray computed tomography (XCT) spatial gradient analysis (raw and processed data files) of microbial community composition, and related computational modeling outputs.

59 BASIC BIOLOGICAL SCIENCES↗

S. elongatus PCC 7942 Carbon Metabolism Proteomics (MC-DP2)

The purpose of this experiment was to examine the redox proteome of S. elongatus PCC 7942 CscB/SPS under different light conditions (light and dark) and culture conditions (dense and dilute optical density). Samples were processed using a resin-assisted capture (RAC) workflow with TMT labeling to enrich and quantify protein cysteines which were differentially oxidized under four conditions. The datasets were generated by a Q Exactive Plus Orbitrap Mass Spectrometer coupled with a Waters nanoAcquity UPLC, then searched by MSGF+ for downstream redox PTM analysis.

59 BASIC BIOLOGICAL SCIENCES↗

A Framework to Demonstrate a DNP3 Interface With a CIM-Based Data Integration Platform: Preprint

The contemporary electrical grid is characterized by its complexity and abundance of data. A control-rich environment supported by information and communication technologies within an Advanced Distribution Management System (ADMS) presents a viable and cost-effective option for utility companies aiming to implement advanced real-time analytical schemes for monitoring and remotely controlling distribution feeders. Modular platform-based approaches to distribution operations require a structured framework for acquiring field device measurements, performing analytics, converting the setpoint to the correct protocol, and sending it on the appropriate communications network to the field devices. We present the development and deployment of an application service to integrate an open-source standardsbased platform with an ADMS test bed with field devices using the Distributed Network Protocol (DNP3) for data exchange. The step-by-step procedure for establishing the DNP3-Master service on an open-source distribution platform is outlined, comprehensively explaining the Master setup process. Moreover, sample use case results highlight the capabilities of the DNP3- Master service setup. Results demonstrate the scalability and configurability of the DNP3-Master service, making it adaptable for integration with other relevant applications, thus providing potential opportunities for real-world field trials and real-time assessments.

ADMS↗

Novel Preprocessing Techniques for Enhancing Flowability of Miscanthus

Purpose-grown energy crops possess significant potential as promising feedstocks for biofuel and biochemical production. However, similar to other biomass feedstocks, their utilization has been hindered by handling and feeding challenges such as clogging and segregation, which prevent biorefineries from operating at full capacity. These challenges arise primarily due to particle attributes including irregular shape, high flexibility, and high compressibility, leading to interlocking, high compaction, and significant friction under stress consolidation. To enhance operational reliability, it is crucial to focus on preprocessing techniques to address these issues, alongside accurately characterizing the mechanical and physical properties and flow performance of these feedstocks. This study investigates novel preprocessing techniques, including pelletization and torrefaction, to fundamentally alter these particle attributes and improve flowability. Miscanthus, an herbaceous energy crop, was the primary focus of this study. Samples were processed using a Forest Concepts Crumbler rotary shear system and an oscillating multi-stack screen bed to achieve two nominal (baseline) particle sizes: 6mm and 2mm. The study evaluated the efficiency and energy consumption of size reduction, revealing that while 2mm particles required more energy, they exhibited better flowability and higher yield strength compared to 6mm particles. Shear and compression tests assessed the material's shear strength, internal friction, and elastic modulus, while wedge-shaped hopper tests measured the critical arching distance and mass flow rate. The results provide valuable insights into the mechanical properties and processing efficiency of Miscanthus, contributing to the development of a preprocessing framework that enhances energy efficiency and material flowability in bioenergy production. However, further preprocessing and development are required to optimize this framework fully.

09 - BIOMASS FUELS↗

Optical vibrational spectroscopic signatures related to U 3 O 8 production processes

Uranium ore concentrates are materials found early within the nuclear fuel cycle and contain high concentrations of uranium in an easily transported form, making the concentrates a likely target for illegal diversion. These concentrates are typically converted to U 3 O 8 for further processing and, therefore, may lose specific physicochemical characteristics in determining the materials’ source and processing history. In this work, we explore the Raman spectra of eight oxide samples produced from various uranium ore concentrates and processing pathways to examine the presence of spectroscopic signatures relating to each sample's process history. Samples produced from amine extraction and dialkylphosphoric acid extraction processes show unique characteristics due to high concentrations of α-UO 3 , whereas samples calcinated from metallic diuranates do not form pure α-U 3 O 8 because of metallic ion inclusions. Pure α-U 3 O 8 oxide samples are obtained through calcination of ammonium diuranate, ammonium uranyl carbonate, and metastudtite intermediates. The Raman spectra of these oxide samples show close agreement with pristine α-U 3 O 8 spectra. However, deviations from the pristine spectra are observed in the 300–460 cm -1 spectral range. In conclusion, these deviations are unique identifying signatures that were likely created by lasting effects from the process history. Spectral center of mass calculations indicate grouping of samples based on processing history.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Improved Manufacturability and Throughput of Ultra- Transparent, Super-Insulating Aerogels

AeroShield Materials produces a novel silica aerogel material with exemplary thermal performance and unprecedented optical clarity, offering the potential for super-insulating fenestration and insulated glass to reduce thermal losses in the built environment by billions of dollars every year. One of the most significant challenges facing AeroShield today is the total amount of time that is required to produce large monolithic aerogel samples. This overall process can require as much as 144 hours total, which can significantly hinder scale-up to an economically viable product. The purpose of this Phase 1 research was to continue development of our novel aerogel manufacturing process to reduce material processing time by up to 10x, greatly improving product throughput and reducing cost. AeroShield’s manufacturing process can be divided into 4 major stages, each with their own distinct set of parameters and time requirements. Under this Phase 1 award, AeroShield was able to identify and optimize a number of these parameters, including molding materials, solvent rinse conditions, critical point drying time, and annealing conditions. AeroShield also performed thorough analyses on how these optimized parameters affected important final characteristics of the gels, including optical clarity, thermal conductivity, and dimensional stability. This campaign culminated in the production of laboratory scale aerogel samples using significantly lower process times of both 36 and 18 total hours, which represent Phase 1 Target and Stretch goals. In order to achieve widespread market adoption, monolithic sheets of the aerogel material must be made to industry-standard sizes (8’ x 12’) at a cost that provides 5-7 year or less breakeven energy savings for consumers (<$2 sq/ft). The work performed under this Phase 1 award shows that time and materials required to make aerogel samples, which make up a significant portion of their overall cost, can be greatly reduced without sacrificing quality. AeroShield plans to use these optimized processes to produce larger, product-relevant sized aerogels in order to achieve target final material costs.

Wilke, Kyle↗

October 2025 Semiannual Composite Salt Waste Processing Facility Decontaminated Salt Solution Toxicity Characteristic Leaching Procedure Results

The aqueous waste from the Salt Waste Processing Facility is sampled semiannually for transfers to the Saltstone Disposal Facility. Salt solution is treated at the Saltstone Production Facility and disposed of in the Saltstone Disposal Facility. Per request of customer, X-TTR-Z-00027, Revision 0, one Saltstone Processing Facility Decontaminated Salt Solution and Z area premix material for the October 2025 semiannual Toxicity Characteristic Leaching Procedure sample. The sample contained 60:40 (by weight) of slag and fly ash (referred to as the “Cement-Free grout sample”). Results from the technical report support Task 2: ‘Grout Leaching Analyses’ of the Task Technical Request prepared by Savannah River Mission Completion. At 51 days cured, the Saltstone sample was collected and shipped to a certified laboratory for analysis using the Toxicity Characteristic Leaching Procedure. The October 2025 Semiannual Cement-Free grout sample met 61 79.268.48 requirements for a non-hazardous waste form with respect to the Resource Conservation and Recovery Act metals and Underlying Hazardous Constituents and met the Saltstone Production Facility Waste Acceptance Criteria that was in effect at the time of the sample collection at the Salt Waste Processing Facility.

Hsieh, Madison [Savannah River National Laboratory↗

Resolving Mixtures of Soot Characterized by SP-AMS Spectra Using a Latent Dirichlet Allocation Model

Soot produced by detonation or combustion events exhibits different chemical properties depending on the fuel, device construction, and environmental conditions in which the event occurs. These properties can be useful for defining relevant signatures for probabilistically identifying the different types of events that occurred, based on the soot that is produced from these events. However, it is rare to observe samples of soot from a detonation or combustion that are not contaminated by outside particles. In this paper, we present a method for resolving mixtures of soot to determine the contributions of sources that may be present in samples of recovered soot. We use Latent Dirichlet Allocation to describe the generative process for a sample of recovered soot, and use Variational Bayesian Inference to learn about the parameters associated with the generative model. We demonstrate the utility of this method by considering real samples of mixtures of soot under various frameworks to show that the model is able to identify the different components present in a sample of soot as well as their mixing proportions.

54 ENVIRONMENTAL SCIENCES↗

April 2025 Semiannual Composite Salt Waste Processing Facility (SWPF) Decontaminated Salt Solution (DSS) Toxicity Characteristic Leaching Procedure (TCLP) Results

The aqueous waste from the Salt Waste Processing Facility is sampled semiannually for transfers to the Saltstone Production Facility. Salt solution is treated at the Saltstone Production Facility and disposed of in the Saltstone Disposal Facility. Per request of customer, X-TTR-Z-00027, Revision 0, one Saltstone Disposal Facility waste form was prepared at Savannah River National Laboratory using the Salt Waste Processing Facility Decontaminated Salt Solution and Z-area premix material for the April 2025 semiannual Toxicity Characteristic Leaching Procedure sample. The sample contained 60:40 (by weight) of slag and fly ash (referred to as the “Cement-Free grout sample”). Results from the technical report support Task 2: ‘Grout Leaching Analyses’ of the Task Technical Request prepared by Savannah River Mission Completion. At 43 days cured, the Saltstone sample was collected and shipped to a certified laboratory for analysis using the Toxicity Characteristic Leaching Procedure. The April 2025 semiannual Cement-Free grout sample met the South Carolina Code of Regulations for Hazardous Waste Management Regulations 61-79.261.24 and 61-79.268.48 requirements for a non-hazardous waste form with respect to the Resource Conservation and Recovery Act metals and Underlying Hazardous Constituents, and met the Saltstone Production Facility Waste Acceptance Criteria that was in effect at the time of the sample collection at the Salt Waste Processing Facility.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗