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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

Two-Dimensional Siloxene Nanosheets: Understanding the Effect of Heat Treatment on the Surface Chemistry and Resulting Electrochemistry in Lithium-Based Batteries

Two-dimensional (2D) silicon materials are conceptually appealing as negative electrode materials in lithium-ion batteries due to their layered morphology, which can accommodate (de)lithiation-induced volume changes. Herein, heat treatment of 2D Siloxene materials was used to modify the surface functional groups to determine the impact on the electrochemical behavior. Spectroscopic characterization of the heat-treated nanosheets confirmed the loss of oxygenated and hydride surface functional groups with an increased annealing temperature. Formation and disproportionation of the amorphous suboxides with increasing heat treatment were affirmed with lab and synchrotron-based measurements. A reduced irreversible capacity was observed for Siloxene with a higher temperature heat treatment consistent with the formation of a more favorable surface electrolyte interphase (SEI). A Siloxene-400||NMC622 full cell (prepared with 400 °C-annealed Siloxene (Siloxene-400) and LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622)) showed significantly enhanced capacity and rate capability compared to a nano Si||NMC622 cell. Finally, these results illustrate the ability of thermal annealing to modify the surface functional groups of Siloxene and highlight the favorable impact of the appropriate surface functionality on the electrochemistry of Siloxene in lithium cells.

25 ENERGY STORAGE↗

Spin-lattice entanglement in CoPS 3

Complex chalcogenides in the 𝑀⁢PS 3 family of materials (𝑀 =Mn, Fe, Co, and Ni) display remarkably different phase progressions depending upon the metal center orbital filling, character of the P–P linkage, and size of the van der Waals gap. There is also a stacking pattern and spin-state difference between the “lighter” and “heavier” transition-metal-containing systems that places CoPS 3 at the nexus of these activities. Despite these unique properties, this compound is underexplored. Here, we bring together Raman scattering spectroscopy and infrared absorption spectroscopy with x-ray techniques to identify a structural component to the 119 K magnetic ordering transition. With temperature-dependent Raman scattering, we discover a set of magnon-phonon pairs that engages in avoided crossings below 𝑇 Néel . Lastly, these findings point to strong spin-phonon entanglement as well as opportunities to control these effects under external stimuli.

Magnetism↗

Strain-Modulated Exciton Localization and Enhanced Emission in Multilayer GaSe

Strain engineering is one of the most effective routes for tuning the electrical and optical properties of two-dimensional layered materials. Besides reproducing the results of other groups on the tunability and photoluminescence (PL) enhancement of free and bound excitons under mechanical deformation or thermal effects, we systematically studied the mechanical strain (wrinkle) and local thermal strain (laser heating) effects on the PL lifetime and polarization in GaSe multilayers and their interplay, revealing their coupled impact on excitonic dynamics. Here, the PL intensity of localized excitons in the wrinkle region of GaSe increases superlinearly with the excitation laser power. The polarization effect has been observed for the bound exciton in GaSe under mechanical strain, but not in GaSe under thermal strain. Fluorescence lifetime imaging (FLIM) measurements reveal strain-tunable lifetimes for both free and bound excitons, and the lifetime of the bound exciton is longer than the free exciton in the mechanical strain region, correlating with the enhanced emission of the bound exciton. These results highlight previously uncharacterized optoelectronic tunability in GaSe and broaden the design space for strain (or thermally)-controlled 2D layered devices.

, GaSe, Exciton localization↗

Topochemical Oxidation of Ruddlesden–Popper Nickelates Reveals Distinct Structural Family: Oxygen-Intercalated Layered Perovskites

Layered perovskites─including the Dion–Jacobson, Ruddlesden–Popper, and Aurivillius families─exhibit a wide range of correlated electron phenomena, from high-temperature superconductivity to multiferroicity. Here, in this study, we report a new family of layered perovskites realized through topochemical oxidation of La n+1 Ni n O 3n+1+δ (n = 1–4) Ruddlesden–Popper nickelate thin films. Postgrowth ozone annealing induces a substantial c-axis expansion─17.8% for La 2 NiO 4+δ (n = 1)─that monotonically decreases with increasing n. Surface synchrotron X-ray diffraction and coherent Bragg rod analysis (COBRA) reveal that this structural expansion arises from the intercalation of approximately δ ≈ 0.7–1.0 oxygen atoms into interstitial sites within the rock salt spacer layers, far exceeding the previous record of δ ≈ 0.3 for any Ruddlesden–Popper oxide. These oxygen-intercalated phases form a new class of layered perovskites with a spacer layer composition intermediate between the Ruddlesden–Popper and Aurivillius phases. Furthermore, oxygen intercalation induces metallicity, enhances nickel–oxygen hybridization, and suppresses oxygen octahedral rotations, a feature associated with high-temperature superconductivity in Ruddlesden–Popper nickelates. Our work establishes topochemical oxidation as a powerful approach to accessing highly oxidized, metastable phases across a broad range of layered oxide systems, offering new platforms to engineer electronic properties via intercalation chemistry.

Ferenc Segedin, Dan [Harvard Univ., Cambridge, MA ↗

NIST: Soil Respiration, Moisture, Temperature, Chemistry; and Fine Root Measurements from a Transect Through a Forest Edge, Gaithersburg, Maryland, 2017-2021

This dataset contains soil respiration, moisture, temperature, and chemistry, as well as fine root measurements from the National Institute of Standards and Technology (NIST) Forested Optical Reference for Evaluating Sensor Technology (FOREST) research facility at Gaithersburg, Maryland. Measurements were taken at an existing transect array that begins in a grassy meadow, crosses a sharp forest edge, then a small stream, and finally extends upwards in the interior of the forest at the top of a ridge. There are 6 different landscape positions replicated across three transects in the array. Soil respiration was measured during growing seasons in 2017-2019 (2017-06-02 to 2020-02-27). Pedons (1 m3) were isolated from surrounding tree roots using trenching and a fabric to inhibit root ingrowth. Flux measurements inside the pedons were thus assumed to represent heterotrophic only respiration in 2019, and these fluxes were paired with nearby fluxes assumed to represent total respiration. Deep vertical probes measured volumetric moisture content and temperature at the same points in the array every 10 cm in depth to either 90 cm or 120 cm total depth, at 15 minute intervals, from 2019-2021 (2019-07-09 to 2021-09-10). Soil core samples were collected from each of the array points for three different months in early- to mid-2019 (2019-03-19 to 2019-07-10), at three depths each. Soils were analyzed for gravimetric moisture content; pH; total carbon, nitrogen, and phosphorus; texture; microbial biomass carbon, nitrogen, and phosphorus; extractable dissolved organic carbon, nitrogen, and phosphorus; extractable nitrate and ammonia; and extracellular hydrolytic enzyme activities. The fine roots were separated from the cores and segregated by plant functional type (grass or tree species) and if they were dead or alive. Fine roots were then measured for length, surface area, diameter, and dry mass. This dataset contains four data files in comma separated (*.csv) format. These data serve to deepen our understanding of root and soil processes at forest edges and in transitional zones.

54 ENVIRONMENTAL SCIENCES↗

NIST Efforts to Quality-Assure Gunpowder Measurements

In the past few years, the National Institute for Standards and Technology (NIST) has been promoting the idea of quantitatively determining the additives in smokeless gunpowder using micellar capillary electrophoresis as a means of investigating the criminal use of hand guns and pipe bombs. As a part of this effort, we have evaluated both supercritical fluid and ultrasonic solvent extractions for the quantitative recovery of nitroglycerin (NG), diphenylamine (DPA), N-nitrosodiphenylamine (NnDPA), and ethyl centralite (EC) from gunpowder. Recoveries were evaluated by repeat extraction and matrix spiking experiments. The final extraction protocol provides greater than 95 percent recoveries. To help other researches validate their own analytical method for additive determinations, NIST is exploring the development of a standard reference material, Additives in Smokeless Gunpowder. The evaluated method is being applied to two double-base (NG-containing) powders, one stabilized with diphenylamine and the other with ethyl centralite. As part of this reference material development effort, we are conducting an interlaboratory comparison exercise among the forensic and military gunpowder measurement community.

MacCrehan, William A.↗

Hourly natural gas usage surrounding NIST NEB and NWB GHG monitoring stations in 2023

This dataset includes hourly natural gas usage surrounding two National Institute of Standards and Technology (NIST) greenhouse gas (GHG) monitoring stations, Northwest Baltimore (NWB; 39.3445°N, 76.6851°W) and Northeast Baltimore (NEB; 39.3154°N, 76.5830°W), for the year 2023 in units of therms. The gas usage was provided by the local gas distribution company and includes hourly data averaged across groups of 15 or more addresses to maintain anonymity. The hourly data was averaged spatially within a radius of 1 km from each monitoring station, including all groups containing data from any address within 1km of the monitoring station. This dataset only includes gas usage from service points equipped with advanced metering infrastructure (AMI). Between the two monitoring sites, this dataset includes usage from a total of 3649 service points, which we estimate is at least 44% of the service points in the domain.

Kenion, Helen C. R. [School of Environment and Sus↗

Quantum Emitters Induced by High Pressure and UV Laser Irradiation in Multilayer GaSe

In this work, we report on defect generation in multilayer GaSe through hydrostatic pressure quenching and UV laser irradiation. The Raman line width from the UV 266 nm irradiated sample is much wider than that in pressure-quenched GaSe, corresponding to a wider defect energy distribution range in the former sample than the latter. After quenching from 11.2 GPa, three photoluminescence (PL) peaks from defect states are observed at 657, 681, and 695 nm at a low temperature of 93 K. Defect-related peaks at 649, 694, 750, and 774 nm also appear in low-temperature PL spectra after UV laser irradiation, with a nonmonotonous intensity dependence on irradiation duration. There are common features in defects produced by these two methods: the PL peaks with the lowest energy are sharp, and their PL intensities increase linearly with the excitation laser power and saturate above a certain excitation laser power. These two features are similar to those in defects for single-photon emission (SPE) in other 2D materials at even lower temperatures. Fluorescence lifetime imaging shows distinguished short (2.3 ns) and long (75.6 nm) lifetimes of the 695 nm PL line in pressure-quenched GaSe. The density functional theory predicts defect energy levels related to Se vacancy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Countering Weapons of Mass Destruction (CWMD) Zero Trust Framework: CWMD Zero Trust Principles Model

The research focuses on the critical need for enhanced cybersecurity within the Countering Weapons of Mass Destruction (CWMD) Office, specifically targeting Chemical, Biological, Radiological, and Nuclear devices. Traditional perimeter-based security models are insufficient against modern cyber threats, prompting a shift toward Zero Trust principles (ZTP) that emphasize continuous verification and stringent security for all devices. Federal directives mandate the adoption of Zero Trust (ZT) across agencies, supported by guidelines from National Institute of Standards and Technology (NIST), U.S. Department of Homeland Security (DHS) Cybersecurity and Infrastructure Security Agency (CISA), U.S. Department of Defense (DoD) and National Security Agency (NSA). The research involved mapping ZT guidance from these agencies to develop tailored CWMD ZTP. The study identified gaps and areas for improvement, including clear transitional guidance from traditional to ZT architectures and the focus on explicit cross cutting capabilities. Design improvements are recommended to ensure increased comprehensive protection and resilience against sophisticated cyber threats for Chemical, Biological, Radiological, and Nuclear (CBRN) devices. Collaborative efforts among federal agencies are essential for the successful deployment of an optimized ZT guidance.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Consistent thermodynamic properties for alicyclic components of jet fuels: Experimental data, estimation methods, and homologous series trends

Alkylcycloalkanes represent a significant fraction of jet fuel components. An evaluation of their thermodynamic properties, enthalpies of formation in liquid and gas phases and enthalpies of vaporization, was conducted. A combination of available experimental data, up-to-date group-contribution methods, high-level quantum-chemical calculations, and homologous series trends was used to identify outliers and to recommend the most reliable values. The group-contribution approach was found to work well for the enthalpies of vaporization. Its performance for the enthalpies of formation in the liquid and gas phases was found to be substantially less effective, especially considering notable differences in this property among stereoisomers. Computationally affordable high-level ab initio results and homologous series trend analysis appeared more reliable. In conclusion, the recommended property values for 212 individual compounds and their isomeric mixtures were provided.

09 BIOMASS FUELS↗

Measured Polarized Spectral Responsivity of JPSS J1 VIIRS Using the NIST T-SIRCUS

Recent pre-launch measurements performed on the Joint Polar Satellite System (JPSS) J1 Visible Infrared Imaging Radiometer Suite (VIIRS) using the National Institute of Standards and Technology (NIST) Traveling Spectral Irradiance and Radiance Responsivity Calibrations Using Uniform Sources (T-SIRCUS) monochromatic source have provided wavelength dependent polarization sensitivity for select spectral bands and viewing conditions. Measurements were made at a number of input linear polarization states (twelve in total) and initially at thirteen wavelengths across the bandpass (later expanded to seventeen for some cases). Using the source radiance information collected by an external monitor, a spectral responsivity function was constructed for each input linear polarization state. Additionally, an unpolarized spectral responsivity function was derived from these polarized measurements. An investigation of how the centroid, bandwidth, and detector responsivity vary with polarization state was weighted by two model input spectra to simulate both ground measurements as well as expected on-orbit conditions. These measurements will enhance our understanding of VIIRS polarization sensitivity, improve the design for future flight models, and provide valuable data to enhance product quality in the post-launch phase.

JPSS↗

The development of natural gas and hydrogen pipeline capital cost estimating equations

Natural gas pipeline cost data collected by the Oil and Gas Journal (O&GJ) for interstate pipelines constructed from 1980 through 2017 were used to develop capital cost estimating equations that are a function of pipeline diameter, length, and U.S. region. Equations were developed for material, labor, miscellaneous, and right-of-way costs, the four cost components in the O&GJ data, for six different regions of the United States (U.S.). Each equation is a function of pipeline diameter and length. Adjustment mechanisms were then developed for converting the natural gas pipeline equations into equations for estimating the costs of hydrogen pipelines. These adjustments were based in part on an analysis completed by the National Institute for Standards and Technology (NIST). Here the results of this work were used to update cost models in the Hydrogen Delivery Scenario Analysis Model (HDSAM), developed by Argonne National Laboratory for the U.S. Department of Energy’s Hydrogen Program. Our analysis shows a wide range of pipeline cost across different U.S. regions, especially with respect to labor and right-of-way costs. The developed cost formulas for hydrogen pipelines are both important and timely as hydrogen is being considered as a zero-carbon energy carrier with the potential to decarbonize all energy sectors, and the cost of hydrogen transportation is essential for techno-economic analysis of its potential use in these sectors.

03 NATURAL GAS↗

Preliminary results of investigations into the use of artificial neural networks for discriminating gas chromatograph mass spectra of remote samples

Neural networks trained using mass spectra data from the National Institute of Standards and Technology (NIST) are studied. The investigations also included sample data from the gas chromatograph mass spectrometer (GCMS) instrument aboard the Viking Lander, obtained from the National Space Science Data Center. The work performed to data and the preliminary results from the training and testing of neural networks are described. These preliminary results are presented for the purpose of determining the viability of applying artificial neural networks in discriminating mass spectra samples from remote instrumentation such as the Mars Rover Sample Return Mission and the Cassini Probe.

Geller, Harold A.↗

Adaptable Standards for Discovery, Access, and Usability of Oak Ridge National Laboratory’s Data Portals and Catalogs

Oak Ridge National Laboratory (ORNL) is leveraging its established capabilities and subject matter expertise in data curation, governance, management, national security, and risk assessment and mitigation to support the US Department of Energy (DOE) Grid Modernization Initiative. Using standards modeled by the National Institute of Standards and Technology (NIST), the Data Curation Network (DCN), the Oak Ridge Leadership Computing Facility (OLCF), and other leading organizations in the fields of energy research, high-performance computing, and national and homeland security, ORNL seeks to provide a federated approach to research data discovery, use, and interoperability.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Beyond sequence similarity: toward function-based screening of nucleic acid synthesis

Synthetic nucleic acids are a key input to modern biotechnology, yet they represent dual-use materials that require robust screening to mitigate biosecurity risks. The prevailing screening paradigm, which identifies sequences of concern (SoCs) through sequence similarity to controlled pathogens and toxins, may not fully capture risks posed by AI tools that can decouple biomolecular function from reliance on known sequences. Rapidly advancing biodesign capabilities enable the generation of genes and proteins that might evade sequence-based detection. We highlight the critical need for function-based screening approaches that can detect sequences capable of hazardous biological functions, regardless of similarity to known SoCs. We examine the feasibility of function-based screening with an initial focus on proteins, arguing that, while protein sequence space is vast, biologically functional proteins are significantly constrained by biophysical and biochemical requirements that can be learned and modeled. We propose a concrete implementation framework organized along a continuum of complexity, starting with toxins as the most tractable targets before expanding to more complex pathogenic functions. We then discuss open challenges and describe a research and development strategy to address them.

59 BASIC BIOLOGICAL SCIENCES↗

Validation of galvanomagnetic and thermomagnetic transport measurements using Standard Reference Material 3451

In the “method of four coefficients,” electrical resistivity (ρ), Seebeck coefficient (S), Hall coefficient (RH), and Nernst coefficient (Q) of a material are measured and typically fit or modeled with theoretical expressions based on Boltzmann transport theory to glean experimental insights into features of electronic structure and/or charge carrier scattering mechanisms in materials. Although well-defined and readily available reference materials exist for validating measurements of ρ and S, none currently exists for R H or Q. We show that measurements of all four transport coefficients—ρ, S, R H , and Q—can be validated using a single reference sample, namely, the low-temperature Seebeck coefficient Standard Reference Material® (SRM) 3451 (composition Bi 2 Te 3+x ) available from the National Institute for Standards and Technology (NIST) without the need for inter-laboratory sample exchange. Here, R H and Q data for NIST SRM 3451 reported here for the temperature range 80–400 K complement the data already available for ρ and S and will therefore be of interest to researchers desiring to validate new or existing galvanomagnetic and thermomagnetic transport properties measurement systems.

47 OTHER INSTRUMENTATION↗

Life-Cycle Cost Analysis Framework for Water Efficiency Measures

Life-Cycle Cost Analysis Framework for Water Efficiency Measures: Guidance Designed for Federal Agencies (hereafter referred to as “this report”) provides a technical framework for federal agencies to conduct a life-cycle cost analysis (LCCA) for water efficiency projects in accordance with 42 U.S.C. § 8253. This report leverages insights from the 2023 report, PNNL-34006, Water and Wastewater Annual Price Escalation Rates for Selected Cities Across the United States: 2023 Edition (Unger et al. 2023). The primary objective of this report is to provide a framework to assist federal agencies with evaluating the full economic impact of water efficiency projects by assessing both initial investments and long-term operational benefits. An LCCA can provide a comprehensive view of all costs associated with a water efficiency project, including initial investment, ongoing operations and maintenance (O&M), and eventual disposal or replacement, ensuring the most cost-effective solution is selected. The LCCA methodology outlined in this report enables users to compare base case scenarios with potential alternatives using a standardized present value approach. It incorporates key cost components such as energy, water and wastewater, installation, O&M, and equipment replacement. Additionally, the framework introduces relevant evaluation metrics, such as the net savings and the savings-to-investment ratio, to ensure that water efficiency measures are economically justified over the lifespan of the project. To support practical application, this report also describes various water efficiency strategies that may be analyzed using an LCCA, including plumbing retrofits, irrigation upgrades, alternative water use, and cooling system improvements. By applying this framework, federal agencies can ensure compliance with regulatory mandates while maximizing the return on investment and contributing to resilient water management practices. The information provided in this report is aligned with the Federal Energy Management Program (FEMP) life-cycle cost (LCC) methodology, as conveyed in National Institute of Standards and Technology (NIST) Handbook 135 (Kneifel and Webb 2022). This report is intended to provide relatively high-level guidance, acting as a complement to, rather than a substitute for, that resource.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Chemical engineering: Measurements for a competitive age

The NIST (National Institute of Standards and Technology) activities supporting chemical research, environmental research, combustion and fuel research, and related industries are described in this video. Highlights include private sector involvement in the research and associated and guest scientist programs, the calibration of customers' instruments, and the direct funding for the NIST research projects by outside industries.

Source record↗